material_id,formula,oxide_type,n_metal_elements,elements,formation_energy_per_atom_eV,energy_above_hull_eV_per_atom,band_gap_eV,HER_overpotential_V,OER_overpotential_V,seawater_stability,seawater_stability_score,oxygen_fraction,metal_fraction,n_distinct_elements,avg_atomic_num,avg_electronegativity,avg_atomic_radius,avg_group,avg_period,avg_d_electrons,max_electronegativity,min_electronegativity,electronegativity_diff,max_atomic_radius,min_atomic_radius,radius_diff,max_atomic_num,min_atomic_num,max_metal_electronegativity,min_metal_electronegativity,metal_electronegativity_diff,avg_metal_atomic_radius,avg_metal_d_electrons,sum_metal_d_electrons,max_metal_d_electrons,frac_3d_metals,frac_4d_metals,frac_5d_metals,frac_pblock_metals,frac_alkali_metals,frac_alkaline_metals,frac_lanthanide_metals,has_3d_metal,has_4d_metal,has_5d_metal,has_late_transition,has_early_transition,has_pblock_metal,has_alkali,has_alkaline,has_lanthanide,crystal_system,is_cubic,is_tetragonal,is_hexagonal,is_orthorhombic,is_monoclinic,is_rhombohedral,is_triclinic,surface_area_m2_per_g,particle_size_nm,dataset_source,reference_paper,data_url,method,software,is_stable,is_theoretical,recommended_applications,primary_reference,secondary_reference,method_reference
oxide_TiO,TiO,unary_metal_oxide,1,"O, Ti",-2.29,0.028,2.5,0.323,0.424,good,2,0.5,0.5,2,15.0,2.49,110.0,10.0,3.0,1.0,3.44,1.54,1.9,147,73,74,22,8,1.54,1.54,0.0,147.0,2.0,2,2,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,25.2,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_TiO2,TiO2,unary_metal_oxide,1,"O, Ti",-1.41,0.303,2.11,0.307,0.46,good,2,0.6666666666666666,0.3333333333333333,2,12.666666666666666,2.806666666666666,97.66666666666666,12.0,2.6666666666666665,0.6666666666666666,3.44,1.54,1.9,147,73,74,22,8,1.54,1.54,0.0,146.99999999999997,2.0,2,2,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.7,45.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ti2O,Ti2O,unary_metal_oxide,1,"O, Ti",-2.97,0.0,1.02,0.417,0.392,good,2,0.3333333333333333,0.6666666666666667,2,17.333333333333332,2.173333333333333,122.33333333333331,8.0,3.333333333333333,1.3333333333333333,3.44,1.54,1.9,147,73,74,22,8,1.54,1.54,0.0,146.99999999999997,2.0,2,2,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,29.9,34.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ti2O3,Ti2O3,unary_metal_oxide,1,"O, Ti",-2.31,0.155,2.26,0.201,0.418,good,2,0.6,0.4,2,13.6,2.68,102.6,11.2,2.8,0.8,3.44,1.54,1.9,147,73,74,22,8,1.54,1.54,0.0,147.0,2.0,2,2,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.8,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ti3O4,Ti3O4,unary_metal_oxide,1,"O, Ti",-2.56,0.875,3.12,0.227,0.249,excellent,3,0.5714285714285714,0.4285714285714286,2,14.0,2.625714285714285,104.71428571428572,10.857142857142856,2.8571428571428568,0.8571428571428571,3.44,1.54,1.9,147,73,74,22,8,1.54,1.54,0.0,147.0,2.0,2,2,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.6,22.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_VO,VO,unary_metal_oxide,1,"O, V",-2.93,0.011,2.49,0.313,0.223,excellent,3,0.5,0.5,2,15.5,2.535,103.5,10.5,3.0,1.5,3.44,1.63,1.81,134,73,61,23,8,1.63,1.63,0.0,134.0,3.0,3,3,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,57.8,47.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_VO2,VO2,unary_metal_oxide,1,"O, V",-2.84,0.158,2.41,0.229,0.391,excellent,3,0.6666666666666666,0.3333333333333333,2,13.0,2.836666666666666,93.33333333333331,12.333333333333332,2.6666666666666665,1.0,3.44,1.63,1.81,134,73,61,23,8,1.63,1.63,0.0,133.99999999999997,3.0,3,3,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.9,39.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_V2O,V2O,unary_metal_oxide,1,"O, V",-2.53,0.056,0.56,0.428,0.3,good,2,0.3333333333333333,0.6666666666666667,2,18.0,2.233333333333333,113.66666666666666,8.666666666666666,3.333333333333333,2.0,3.44,1.63,1.81,134,73,61,23,8,1.63,1.63,0.0,133.99999999999997,3.0,3,3,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,61.9,54.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_V2O3,V2O3,unary_metal_oxide,1,"O, V",-2.23,0.239,2.11,0.175,0.266,good,2,0.6,0.4,2,14.0,2.716,97.4,11.6,2.8,1.2000000000000002,3.44,1.63,1.81,134,73,61,23,8,1.63,1.63,0.0,134.0,3.0000000000000004,3,3,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.6,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_V3O4,V3O4,unary_metal_oxide,1,"O, V",-2.25,0.19,2.09,0.262,0.48,good,2,0.5714285714285714,0.4285714285714286,2,14.428571428571429,2.664285714285714,99.14285714285714,11.285714285714285,2.8571428571428568,1.2857142857142856,3.44,1.63,1.81,134,73,61,23,8,1.63,1.63,0.0,133.99999999999997,3.0,3,3,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.5,11.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CrO,CrO,unary_metal_oxide,1,"Cr, O",-2.32,0.13,0.96,0.337,0.308,good,2,0.5,0.5,2,16.0,2.55,100.5,11.0,3.0,2.5,3.44,1.66,1.78,128,73,55,24,8,1.66,1.66,0.0,128.0,5.0,5,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.1,32.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CrO2,CrO2,unary_metal_oxide,1,"Cr, O",-2.7,0.363,1.15,0.307,0.382,good,2,0.6666666666666666,0.3333333333333333,2,13.333333333333332,2.8466666666666662,91.33333333333331,12.666666666666666,2.6666666666666665,1.6666666666666663,3.44,1.66,1.78,128,73,55,24,8,1.66,1.66,0.0,128.0,4.999999999999999,5,5,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.4,21.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Cr2O,Cr2O,unary_metal_oxide,1,"Cr, O",-2.82,0.457,0.78,0.289,0.302,good,2,0.3333333333333333,0.6666666666666667,2,18.666666666666668,2.253333333333333,109.66666666666666,9.333333333333332,3.333333333333333,3.333333333333333,3.44,1.66,1.78,128,73,55,24,8,1.66,1.66,0.0,128.0,4.999999999999999,5,5,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.8,9.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Cr2O3,Cr2O3,unary_metal_oxide,1,"Cr, O",-2.44,0.016,1.64,0.386,0.389,good,2,0.6,0.4,2,14.400000000000002,2.728,95.0,12.0,2.8,2.0,3.44,1.66,1.78,128,73,55,24,8,1.66,1.66,0.0,128.0,5.0,5,5,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,32.3,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Cr3O4,Cr3O4,unary_metal_oxide,1,"Cr, O",-2.42,0.149,1.34,0.375,0.316,good,2,0.5714285714285714,0.4285714285714286,2,14.857142857142856,2.677142857142857,96.57142857142856,11.714285714285714,2.8571428571428568,2.142857142857143,3.44,1.66,1.78,128,73,55,24,8,1.66,1.66,0.0,128.0,4.999999999999999,5,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,59.0,16.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_MnO,MnO,unary_metal_oxide,1,"Mn, O",-2.66,0.057,1.31,0.438,0.191,good,2,0.5,0.5,2,16.5,2.495,100.0,11.5,3.0,2.5,3.44,1.55,1.89,127,73,54,25,8,1.55,1.55,0.0,127.0,5.0,5,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.6,37.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_MnO2,MnO2,unary_metal_oxide,1,"Mn, O",-2.26,0.057,1.39,0.185,0.449,good,2,0.6666666666666666,0.3333333333333333,2,13.666666666666664,2.81,91.0,13.0,2.6666666666666665,1.6666666666666663,3.44,1.55,1.89,127,73,54,25,8,1.55,1.55,0.0,126.99999999999996,4.999999999999999,5,5,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,45.2,17.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Mn2O,Mn2O,unary_metal_oxide,1,"Mn, O",-2.91,0.16,0.71,0.282,0.231,good,2,0.3333333333333333,0.6666666666666667,2,19.33333333333333,2.18,109.0,10.0,3.333333333333333,3.333333333333333,3.44,1.55,1.89,127,73,54,25,8,1.55,1.55,0.0,126.99999999999996,4.999999999999999,5,5,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Mn2O3,Mn2O3,unary_metal_oxide,1,"Mn, O",-2.59,0.213,1.71,0.443,0.322,good,2,0.6,0.4,2,14.8,2.684,94.6,12.4,2.8,2.0,3.44,1.55,1.89,127,73,54,25,8,1.55,1.55,0.0,127.0,5.0,5,5,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,48.4,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Mn3O4,Mn3O4,unary_metal_oxide,1,"Mn, O",-2.73,0.185,1.93,0.39,0.273,good,2,0.5714285714285714,0.4285714285714286,2,15.285714285714285,2.63,96.14285714285714,12.142857142857142,2.8571428571428568,2.142857142857143,3.44,1.55,1.89,127,73,54,25,8,1.55,1.55,0.0,127.0,4.999999999999999,5,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,42.4,22.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_FeO,FeO,unary_metal_oxide,1,"Fe, O",-2.94,0.247,0.71,0.332,0.236,good,2,0.5,0.5,2,17.0,2.635,99.5,12.0,3.0,3.0,3.44,1.83,1.61,126,73,53,26,8,1.83,1.83,0.0,126.0,6.0,6,6,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,17.8,14.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_FeO2,FeO2,unary_metal_oxide,1,"Fe, O",-2.28,0.085,1.74,0.371,0.276,good,2,0.6666666666666666,0.3333333333333333,2,14.0,2.903333333333333,90.66666666666666,13.333333333333332,2.6666666666666665,2.0,3.44,1.83,1.61,126,73,53,26,8,1.83,1.83,0.0,126.0,5.999999999999999,6,6,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.8,29.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Fe2O,Fe2O,unary_metal_oxide,1,"Fe, O",-2.98,0.235,0.16,0.121,0.395,good,2,0.3333333333333333,0.6666666666666667,2,20.0,2.3666666666666663,108.33333333333331,10.666666666666666,3.333333333333333,4.0,3.44,1.83,1.61,126,73,53,26,8,1.83,1.83,0.0,126.0,5.999999999999999,6,6,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,32.1,54.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Fe2O3,Fe2O3,unary_metal_oxide,1,"Fe, O",-2.16,0.184,1.53,0.398,0.326,good,2,0.6,0.4,2,15.2,2.7960000000000003,94.2,12.8,2.8,2.4000000000000004,3.44,1.83,1.61,126,73,53,26,8,1.83,1.83,0.0,126.0,6.000000000000001,6,6,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.4,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Fe3O4,Fe3O4,unary_metal_oxide,1,"Fe, O",-2.48,0.011,0.77,0.338,0.272,good,2,0.5714285714285714,0.4285714285714286,2,15.714285714285714,2.75,95.71428571428572,12.571428571428571,2.8571428571428568,2.571428571428571,3.44,1.83,1.61,126,73,53,26,8,1.83,1.83,0.0,126.0,5.999999999999999,6,6,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,13.2,44.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CoO,CoO,unary_metal_oxide,1,"Co, O",-2.38,0.14,0.45,0.362,0.247,good,2,0.5,0.5,2,17.5,2.66,99.0,12.5,3.0,3.5,3.44,1.88,1.56,125,73,52,27,8,1.88,1.88,0.0,125.0,7.0,7,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.6,29.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CoO2,CoO2,unary_metal_oxide,1,"Co, O",-3.49,0.16,0.83,0.244,0.245,excellent,3,0.6666666666666666,0.3333333333333333,2,14.333333333333332,2.9199999999999995,90.33333333333331,13.666666666666666,2.6666666666666665,2.333333333333333,3.44,1.88,1.56,125,73,52,27,8,1.88,1.88,0.0,125.0,6.999999999999998,7,7,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.0,28.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Co2O,Co2O,unary_metal_oxide,1,"Co, O",-2.37,0.018,0.0,0.249,0.362,good,2,0.3333333333333333,0.6666666666666667,2,20.666666666666668,2.3999999999999995,107.66666666666666,11.333333333333332,3.333333333333333,4.666666666666666,3.44,1.88,1.56,125,73,52,27,8,1.88,1.88,0.0,125.0,6.999999999999998,7,7,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.1,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Co2O3,Co2O3,unary_metal_oxide,1,"Co, O",-2.97,0.256,0.83,0.319,0.325,good,2,0.6,0.4,2,15.6,2.816,93.8,13.2,2.8,2.8000000000000003,3.44,1.88,1.56,125,73,52,27,8,1.88,1.88,0.0,125.0,7.0,7,7,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,23.5,38.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Co3O4,Co3O4,unary_metal_oxide,1,"Co, O",-2.45,0.417,1.0,0.304,0.282,good,2,0.5714285714285714,0.4285714285714286,2,16.142857142857142,2.771428571428572,95.28571428571428,13.0,2.8571428571428568,3.0,3.44,1.88,1.56,125,73,52,27,8,1.88,1.88,0.0,125.0,6.999999999999999,7,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,48.4,57.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_NiO,NiO,unary_metal_oxide,1,"Ni, O",-3.27,0.004,0.69,0.299,0.26,good,2,0.5,0.5,2,18.0,2.675,98.5,13.0,3.0,4.0,3.44,1.91,1.53,124,73,51,28,8,1.91,1.91,0.0,124.0,8.0,8,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.7,13.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_NiO2,NiO2,unary_metal_oxide,1,"Ni, O",-2.1,0.059,0.75,0.42,0.198,good,2,0.6666666666666666,0.3333333333333333,2,14.666666666666664,2.93,90.0,14.0,2.6666666666666665,2.6666666666666665,3.44,1.91,1.53,124,73,51,28,8,1.91,1.91,0.0,123.99999999999996,7.999999999999999,8,8,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,12.3,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ni2O,Ni2O,unary_metal_oxide,1,"Ni, O",-2.9,0.148,0.45,0.418,0.293,good,2,0.3333333333333333,0.6666666666666667,2,21.33333333333333,2.42,107.0,12.0,3.333333333333333,5.333333333333333,3.44,1.91,1.53,124,73,51,28,8,1.91,1.91,0.0,123.99999999999996,7.999999999999999,8,8,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,62.4,13.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ni2O3,Ni2O3,unary_metal_oxide,1,"Ni, O",-3.31,0.053,1.33,0.347,0.245,excellent,3,0.6,0.4,2,16.0,2.8280000000000003,93.4,13.6,2.8,3.2,3.44,1.91,1.53,124,73,51,28,8,1.91,1.91,0.0,124.0,8.0,8,8,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,19.3,36.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ni3O4,Ni3O4,unary_metal_oxide,1,"Ni, O",-2.97,0.163,0.74,0.337,0.195,good,2,0.5714285714285714,0.4285714285714286,2,16.57142857142857,2.784285714285714,94.85714285714286,13.428571428571429,2.8571428571428568,3.4285714285714284,3.44,1.91,1.53,124,73,51,28,8,1.91,1.91,0.0,124.0,7.999999999999999,8,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,51.6,11.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CuO,CuO,unary_metal_oxide,1,"Cu, O",-2.9,0.151,0.96,0.238,0.288,good,2,0.5,0.5,2,18.5,2.67,100.5,13.5,3.0,5.0,3.44,1.9,1.54,128,73,55,29,8,1.9,1.9,0.0,128.0,10.0,10,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.7,23.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CuO2,CuO2,unary_metal_oxide,1,"Cu, O",-2.41,0.12,0.98,0.313,0.228,good,2,0.6666666666666666,0.3333333333333333,2,15.0,2.9266666666666663,91.33333333333331,14.333333333333332,2.6666666666666665,3.333333333333333,3.44,1.9,1.54,128,73,55,29,8,1.9,1.9,0.0,128.0,9.999999999999998,10,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,62.1,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Cu2O,Cu2O,unary_metal_oxide,1,"Cu, O",-3.22,0.1,1.3,0.338,0.385,excellent,3,0.3333333333333333,0.6666666666666667,2,22.0,2.413333333333333,109.66666666666666,12.666666666666666,3.333333333333333,6.666666666666666,3.44,1.9,1.54,128,73,55,29,8,1.9,1.9,0.0,128.0,9.999999999999998,10,10,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,23.8,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Cu2O3,Cu2O3,unary_metal_oxide,1,"Cu, O",-3.33,0.045,1.33,0.173,0.174,excellent,3,0.6,0.4,2,16.400000000000002,2.824,95.0,14.0,2.8,4.0,3.44,1.9,1.54,128,73,55,29,8,1.9,1.9,0.0,128.0,10.0,10,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,52.3,63.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Cu3O4,Cu3O4,unary_metal_oxide,1,"Cu, O",-2.99,0.053,0.66,0.202,0.287,good,2,0.5714285714285714,0.4285714285714286,2,17.0,2.78,96.57142857142856,13.857142857142858,2.8571428571428568,4.285714285714286,3.44,1.9,1.54,128,73,55,29,8,1.9,1.9,0.0,128.0,9.999999999999998,10,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.3,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_ZnO,ZnO,unary_metal_oxide,1,"O, Zn",-2.26,0.136,1.22,0.35,0.228,good,2,0.5,0.5,2,19.0,2.545,103.5,14.0,3.0,5.0,3.44,1.65,1.79,134,73,61,30,8,1.65,1.65,0.0,134.0,10.0,10,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,38.3,11.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_ZnO2,ZnO2,unary_metal_oxide,1,"O, Zn",-2.71,0.006,1.25,0.23,0.216,good,2,0.6666666666666666,0.3333333333333333,2,15.333333333333332,2.843333333333333,93.33333333333331,14.666666666666666,2.6666666666666665,3.333333333333333,3.44,1.65,1.79,134,73,61,30,8,1.65,1.65,0.0,133.99999999999997,9.999999999999998,10,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,24.7,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Zn2O,Zn2O,unary_metal_oxide,1,"O, Zn",-2.08,0.201,0.22,0.395,0.281,good,2,0.3333333333333333,0.6666666666666667,2,22.666666666666668,2.246666666666666,113.66666666666666,13.333333333333332,3.333333333333333,6.666666666666666,3.44,1.65,1.79,134,73,61,30,8,1.65,1.65,0.0,133.99999999999997,9.999999999999998,10,10,0.6666666666666666,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.0,11.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Zn2O3,Zn2O3,unary_metal_oxide,1,"O, Zn",-1.82,0.045,0.69,0.211,0.221,good,2,0.6,0.4,2,16.8,2.724,97.4,14.4,2.8,4.0,3.44,1.65,1.79,134,73,61,30,8,1.65,1.65,0.0,134.0,10.0,10,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,56.2,33.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Zn3O4,Zn3O4,unary_metal_oxide,1,"O, Zn",-2.76,0.112,1.26,0.347,0.177,good,2,0.5714285714285714,0.4285714285714286,2,17.428571428571427,2.6728571428571426,99.14285714285714,14.285714285714285,2.8571428571428568,4.285714285714286,3.44,1.65,1.79,134,73,61,30,8,1.65,1.65,0.0,133.99999999999997,9.999999999999998,10,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,62.6,25.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_ZrO,ZrO,unary_metal_oxide,1,"O, Zr",-3.01,0.401,1.75,0.224,0.299,excellent,3,0.5,0.5,2,24.0,2.385,116.5,10.0,3.5,1.0,3.44,1.33,2.11,160,73,87,40,8,1.33,1.33,0.0,160.0,2.0,2,2,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.6,13.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_ZrO2,ZrO2,unary_metal_oxide,1,"O, Zr",-2.65,0.055,1.92,0.394,0.354,good,2,0.6666666666666666,0.3333333333333333,2,18.666666666666664,2.7366666666666664,102.0,12.0,3.0,0.6666666666666666,3.44,1.33,2.11,160,73,87,40,8,1.33,1.33,0.0,159.99999999999997,2.0,2,2,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,28.4,18.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Zr2O,Zr2O,unary_metal_oxide,1,"O, Zr",-3.29,0.034,0.93,0.396,0.321,excellent,3,0.3333333333333333,0.6666666666666667,2,29.33333333333333,2.033333333333333,131.0,8.0,4.0,1.3333333333333333,3.44,1.33,2.11,160,73,87,40,8,1.33,1.33,0.0,159.99999999999997,2.0,2,2,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,33.7,41.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Zr2O3,Zr2O3,unary_metal_oxide,1,"O, Zr",-3.04,0.062,2.15,0.241,0.371,excellent,3,0.6,0.4,2,20.8,2.596,107.8,11.2,3.2,0.8,3.44,1.33,2.11,160,73,87,40,8,1.33,1.33,0.0,160.0,2.0,2,2,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,67.5,22.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Zr3O4,Zr3O4,unary_metal_oxide,1,"O, Zr",-2.6,0.011,1.87,0.287,0.256,good,2,0.5714285714285714,0.4285714285714286,2,21.714285714285715,2.5357142857142856,110.28571428571428,10.857142857142856,3.2857142857142856,0.8571428571428571,3.44,1.33,2.11,160,73,87,40,8,1.33,1.33,0.0,159.99999999999997,2.0,2,2,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.6,38.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_NbO,NbO,unary_metal_oxide,1,"Nb, O",-1.67,0.017,1.1,0.173,0.332,good,2,0.5,0.5,2,24.5,2.52,109.5,10.5,3.5,2.0,3.44,1.6,1.84,146,73,73,41,8,1.6,1.6,0.0,146.0,4.0,4,4,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.3,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_NbO2,NbO2,unary_metal_oxide,1,"Nb, O",-2.79,0.149,0.89,0.427,0.22,good,2,0.6666666666666666,0.3333333333333333,2,19.0,2.826666666666666,97.33333333333331,12.333333333333332,3.0,1.3333333333333333,3.44,1.6,1.84,146,73,73,41,8,1.6,1.6,0.0,145.99999999999997,4.0,4,4,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.6,39.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Nb2O,Nb2O,unary_metal_oxide,1,"Nb, O",-3.01,0.087,0.92,0.475,0.349,good,2,0.3333333333333333,0.6666666666666667,2,30.0,2.213333333333333,121.66666666666666,8.666666666666666,4.0,2.6666666666666665,3.44,1.6,1.84,146,73,73,41,8,1.6,1.6,0.0,145.99999999999997,4.0,4,4,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,11.9,33.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Nb2O3,Nb2O3,unary_metal_oxide,1,"Nb, O",-2.08,0.296,1.4,0.125,0.339,good,2,0.6,0.4,2,21.200000000000003,2.704,102.2,11.6,3.2,1.6,3.44,1.6,1.84,146,73,73,41,8,1.6,1.6,0.0,146.0,4.0,4,4,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,59.6,27.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Nb3O4,Nb3O4,unary_metal_oxide,1,"Nb, O",-3.13,0.101,1.18,0.274,0.15,good,2,0.5714285714285714,0.4285714285714286,2,22.14285714285714,2.6514285714285712,104.28571428571428,11.285714285714285,3.2857142857142856,1.7142857142857142,3.44,1.6,1.84,146,73,73,41,8,1.6,1.6,0.0,145.99999999999997,4.0,4,4,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,13.0,22.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_MoO,MoO,unary_metal_oxide,1,"Mo, O",-3.38,0.273,1.57,0.187,0.241,excellent,3,0.5,0.5,2,25.0,2.8,106.0,11.0,3.5,2.5,3.44,2.16,1.2799999999999998,139,73,66,42,8,2.16,2.16,0.0,139.0,5.0,5,5,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.4,50.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_MoO2,MoO2,unary_metal_oxide,1,"Mo, O",-2.48,0.009,1.03,0.242,0.366,good,2,0.6666666666666666,0.3333333333333333,2,19.33333333333333,3.0133333333333328,95.0,12.666666666666666,3.0,1.6666666666666663,3.44,2.16,1.2799999999999998,139,73,66,42,8,2.16,2.16,0.0,138.99999999999997,4.999999999999999,5,5,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.7,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Mo2O,Mo2O,unary_metal_oxide,1,"Mo, O",-2.97,0.099,0.16,0.236,0.295,good,2,0.3333333333333333,0.6666666666666667,2,30.666666666666668,2.5866666666666664,117.0,9.333333333333332,4.0,3.333333333333333,3.44,2.16,1.2799999999999998,139,73,66,42,8,2.16,2.16,0.0,138.99999999999997,4.999999999999999,5,5,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.8,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Mo2O3,Mo2O3,unary_metal_oxide,1,"Mo, O",-3.28,0.273,0.96,0.529,0.236,excellent,3,0.6,0.4,2,21.6,2.928,99.4,12.0,3.2,2.0,3.44,2.16,1.2799999999999998,139,73,66,42,8,2.16,2.16,0.0,139.0,5.0,5,5,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.0,32.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Mo3O4,Mo3O4,unary_metal_oxide,1,"Mo, O",-2.44,0.397,0.91,0.315,0.231,good,2,0.5714285714285714,0.4285714285714286,2,22.57142857142857,2.8914285714285715,101.28571428571428,11.714285714285714,3.2857142857142856,2.142857142857143,3.44,2.16,1.2799999999999998,139,73,66,42,8,2.16,2.16,0.0,138.99999999999997,4.999999999999999,5,5,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,54.2,26.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_RuO,RuO,unary_metal_oxide,1,"O, Ru",-2.69,0.127,1.23,0.429,0.292,good,2,0.5,0.5,2,26.0,2.8200000000000003,103.5,12.0,3.5,3.5,3.44,2.2,1.2399999999999998,134,73,61,44,8,2.2,2.2,0.0,134.0,7.0,7,7,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,46.7,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_RuO2,RuO2,unary_metal_oxide,1,"O, Ru",-2.77,0.002,1.17,0.324,0.296,good,2,0.6666666666666666,0.3333333333333333,2,20.0,3.0266666666666664,93.33333333333331,13.333333333333332,3.0,2.333333333333333,3.44,2.2,1.2399999999999998,134,73,61,44,8,2.2,2.2,0.0,133.99999999999997,6.999999999999998,7,7,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,34.4,26.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ru2O,Ru2O,unary_metal_oxide,1,"O, Ru",-3.28,0.065,0.45,0.341,0.182,good,2,0.3333333333333333,0.6666666666666667,2,32.0,2.6133333333333333,113.66666666666666,10.666666666666666,4.0,4.666666666666666,3.44,2.2,1.2399999999999998,134,73,61,44,8,2.2,2.2,0.0,133.99999999999997,6.999999999999998,7,7,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,31.0,30.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ru2O3,Ru2O3,unary_metal_oxide,1,"O, Ru",-3.18,0.06,0.6,0.288,0.253,good,2,0.6,0.4,2,22.4,2.944,97.4,12.8,3.2,2.8000000000000003,3.44,2.2,1.2399999999999998,134,73,61,44,8,2.2,2.2,0.0,134.0,7.0,7,7,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.9,28.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ru3O4,Ru3O4,unary_metal_oxide,1,"O, Ru",-3.0,0.3,0.54,0.319,0.325,good,2,0.5714285714285714,0.4285714285714286,2,23.42857142857143,2.9085714285714284,99.14285714285714,12.571428571428571,3.2857142857142856,3.0,3.44,2.2,1.2399999999999998,134,73,61,44,8,2.2,2.2,0.0,133.99999999999997,6.999999999999999,7,7,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,17.0,47.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_RhO,RhO,unary_metal_oxide,1,"O, Rh",-3.32,0.061,1.17,0.335,0.201,excellent,3,0.5,0.5,2,26.5,2.86,103.5,12.5,3.5,4.0,3.44,2.28,1.16,134,73,61,45,8,2.28,2.28,0.0,134.0,8.0,8,8,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,40.9,15.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_RhO2,RhO2,unary_metal_oxide,1,"O, Rh",-2.75,0.091,1.9,0.294,0.285,good,2,0.6666666666666666,0.3333333333333333,2,20.33333333333333,3.053333333333333,93.33333333333331,13.666666666666666,3.0,2.6666666666666665,3.44,2.28,1.16,134,73,61,45,8,2.28,2.28,0.0,133.99999999999997,7.999999999999999,8,8,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,57.6,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Rh2O,Rh2O,unary_metal_oxide,1,"O, Rh",-3.31,0.095,0.6,0.462,0.209,good,2,0.3333333333333333,0.6666666666666667,2,32.666666666666664,2.666666666666666,113.66666666666666,11.333333333333332,4.0,5.333333333333333,3.44,2.28,1.16,134,73,61,45,8,2.28,2.28,0.0,133.99999999999997,7.999999999999999,8,8,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.6,33.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Rh2O3,Rh2O3,unary_metal_oxide,1,"O, Rh",-3.71,0.034,1.34,0.159,0.243,excellent,3,0.6,0.4,2,22.8,2.976,97.4,13.2,3.2,3.2,3.44,2.28,1.16,134,73,61,45,8,2.28,2.28,0.0,134.0,8.0,8,8,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Rh3O4,Rh3O4,unary_metal_oxide,1,"O, Rh",-3.0,0.094,0.32,0.162,0.227,good,2,0.5714285714285714,0.4285714285714286,2,23.85714285714285,2.9428571428571426,99.14285714285714,13.0,3.2857142857142856,3.4285714285714284,3.44,2.28,1.16,134,73,61,45,8,2.28,2.28,0.0,133.99999999999997,7.999999999999999,8,8,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.2,30.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_PdO,PdO,unary_metal_oxide,1,"O, Pd",-2.71,0.024,0.04,0.305,0.305,good,2,0.5,0.5,2,27.0,2.8200000000000003,105.0,13.0,3.5,5.0,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.2,2.2,0.0,137.0,10.0,10,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.1,49.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_PdO2,PdO2,unary_metal_oxide,1,"O, Pd",-2.78,0.809,0.69,0.409,0.189,good,2,0.6666666666666666,0.3333333333333333,2,20.666666666666664,3.0266666666666664,94.33333333333331,14.0,3.0,3.333333333333333,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.2,2.2,0.0,136.99999999999997,9.999999999999998,10,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.5,23.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Pd2O,Pd2O,unary_metal_oxide,1,"O, Pd",-2.68,0.162,0.0,0.253,0.208,good,2,0.3333333333333333,0.6666666666666667,2,33.33333333333333,2.6133333333333333,115.66666666666666,12.0,4.0,6.666666666666666,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.2,2.2,0.0,136.99999999999997,9.999999999999998,10,10,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.6,23.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Pd2O3,Pd2O3,unary_metal_oxide,1,"O, Pd",-3.03,0.11,1.39,0.371,0.271,good,2,0.6,0.4,2,23.200000000000003,2.944,98.6,13.6,3.2,4.0,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.2,2.2,0.0,137.0,10.0,10,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,44.3,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Pd3O4,Pd3O4,unary_metal_oxide,1,"O, Pd",-2.99,0.693,1.1,0.258,0.306,good,2,0.5714285714285714,0.4285714285714286,2,24.285714285714285,2.9085714285714284,100.42857142857142,13.428571428571429,3.2857142857142856,4.285714285714286,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.2,2.2,0.0,136.99999999999997,9.999999999999998,10,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,45.7,25.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_AgO,AgO,unary_metal_oxide,1,"Ag, O",-3.76,0.054,1.36,0.21,0.151,excellent,3,0.5,0.5,2,27.5,2.685,108.5,13.5,3.5,5.0,3.44,1.93,1.51,144,73,71,47,8,1.93,1.93,0.0,144.0,10.0,10,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,38.2,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_AgO2,AgO2,unary_metal_oxide,1,"Ag, O",-2.31,0.166,0.9,0.181,0.222,good,2,0.6666666666666666,0.3333333333333333,2,21.0,2.9366666666666665,96.66666666666666,14.333333333333332,3.0,3.333333333333333,3.44,1.93,1.51,144,73,71,47,8,1.93,1.93,0.0,143.99999999999997,9.999999999999998,10,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.5,27.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ag2O,Ag2O,unary_metal_oxide,1,"Ag, O",-2.45,0.232,0.33,0.307,0.352,good,2,0.3333333333333333,0.6666666666666667,2,34.0,2.433333333333333,120.33333333333331,12.666666666666666,4.0,6.666666666666666,3.44,1.93,1.51,144,73,71,47,8,1.93,1.93,0.0,143.99999999999997,9.999999999999998,10,10,0.0,0.6666666666666666,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,52.5,41.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ag2O3,Ag2O3,unary_metal_oxide,1,"Ag, O",-2.71,0.159,1.38,0.325,0.25,good,2,0.6,0.4,2,23.6,2.8360000000000003,101.4,14.0,3.2,4.0,3.44,1.93,1.51,144,73,71,47,8,1.93,1.93,0.0,144.0,10.0,10,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,34.2,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ag3O4,Ag3O4,unary_metal_oxide,1,"Ag, O",-2.54,0.331,1.21,0.265,0.243,good,2,0.5714285714285714,0.4285714285714286,2,24.714285714285715,2.7928571428571427,103.42857142857142,13.857142857142858,3.2857142857142856,4.285714285714286,3.44,1.93,1.51,144,73,71,47,8,1.93,1.93,0.0,143.99999999999997,9.999999999999998,10,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.8,24.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_HfO,HfO,unary_metal_oxide,1,"Hf, O",-3.13,0.011,0.55,0.285,0.41,good,2,0.5,0.5,2,40.0,2.37,116.0,10.0,4.0,1.0,3.44,1.3,2.14,159,73,86,72,8,1.3,1.3,0.0,159.0,2.0,2,2,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,48.3,14.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_HfO2,HfO2,unary_metal_oxide,1,"Hf, O",-3.56,0.408,1.32,0.383,0.39,excellent,3,0.6666666666666666,0.3333333333333333,2,29.33333333333333,2.7266666666666666,101.66666666666666,12.0,3.333333333333333,0.6666666666666666,3.44,1.3,2.14,159,73,86,72,8,1.3,1.3,0.0,158.99999999999997,2.0,2,2,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,34.8,64.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Hf2O,Hf2O,unary_metal_oxide,1,"Hf, O",-2.87,0.066,0.47,0.263,0.331,good,2,0.3333333333333333,0.6666666666666667,2,50.66666666666666,2.013333333333333,130.33333333333334,8.0,4.666666666666667,1.3333333333333333,3.44,1.3,2.14,159,73,86,72,8,1.3,1.3,0.0,158.99999999999997,2.0,2,2,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,40.4,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Hf2O3,Hf2O3,unary_metal_oxide,1,"Hf, O",-3.31,0.069,0.97,0.406,0.506,excellent,3,0.6,0.4,2,33.6,2.584,107.4,11.2,3.6000000000000005,0.8,3.44,1.3,2.14,159,73,86,72,8,1.3,1.3,0.0,159.0,2.0,2,2,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.7,33.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Hf3O4,Hf3O4,unary_metal_oxide,1,"Hf, O",-2.89,0.121,0.72,0.459,0.261,good,2,0.5714285714285714,0.4285714285714286,2,35.42857142857142,2.5228571428571427,109.85714285714286,10.857142857142856,3.714285714285714,0.8571428571428571,3.44,1.3,2.14,159,73,86,72,8,1.3,1.3,0.0,158.99999999999997,2.0,2,2,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,57.3,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_TaO,TaO,unary_metal_oxide,1,"O, Ta",-3.31,0.023,1.41,0.392,0.331,excellent,3,0.5,0.5,2,40.5,2.47,109.5,10.5,4.0,1.5,3.44,1.5,1.94,146,73,73,73,8,1.5,1.5,0.0,146.0,3.0,3,3,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.1,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_TaO2,TaO2,unary_metal_oxide,1,"O, Ta",-2.12,0.259,1.07,0.386,0.308,good,2,0.6666666666666666,0.3333333333333333,2,29.666666666666664,2.793333333333333,97.33333333333331,12.333333333333332,3.333333333333333,1.0,3.44,1.5,1.94,146,73,73,73,8,1.5,1.5,0.0,145.99999999999997,3.0,3,3,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.3,24.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ta2O,Ta2O,unary_metal_oxide,1,"O, Ta",-2.98,0.44,0.47,0.379,0.403,good,2,0.3333333333333333,0.6666666666666667,2,51.33333333333333,2.1466666666666665,121.66666666666666,8.666666666666666,4.666666666666667,2.0,3.44,1.5,1.94,146,73,73,73,8,1.5,1.5,0.0,145.99999999999997,3.0,3,3,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,52.5,26.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ta2O3,Ta2O3,unary_metal_oxide,1,"O, Ta",-3.51,0.005,0.84,0.334,0.237,excellent,3,0.6,0.4,2,34.0,2.664,102.2,11.6,3.6000000000000005,1.2000000000000002,3.44,1.5,1.94,146,73,73,73,8,1.5,1.5,0.0,146.0,3.0000000000000004,3,3,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,11.7,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ta3O4,Ta3O4,unary_metal_oxide,1,"O, Ta",-3.5,0.164,1.04,0.332,0.36,excellent,3,0.5714285714285714,0.4285714285714286,2,35.857142857142854,2.6085714285714285,104.28571428571428,11.285714285714285,3.714285714285714,1.2857142857142856,3.44,1.5,1.94,146,73,73,73,8,1.5,1.5,0.0,145.99999999999997,3.0,3,3,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,28.7,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_WO,WO,unary_metal_oxide,1,"O, W",-3.25,0.205,0.72,0.107,0.347,good,2,0.5,0.5,2,41.0,2.9,106.0,11.0,4.0,2.0,3.44,2.36,1.08,139,73,66,74,8,2.36,2.36,0.0,139.0,4.0,4,4,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.8,27.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_WO2,WO2,unary_metal_oxide,1,"O, W",-3.14,0.035,0.85,0.437,0.493,good,2,0.6666666666666666,0.3333333333333333,2,30.0,3.08,95.0,12.666666666666666,3.333333333333333,1.3333333333333333,3.44,2.36,1.08,139,73,66,74,8,2.36,2.36,0.0,138.99999999999997,4.0,4,4,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,34.1,44.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_W2O,W2O,unary_metal_oxide,1,"O, W",-3.65,0.039,0.46,0.304,0.328,excellent,3,0.3333333333333333,0.6666666666666667,2,51.99999999999999,2.72,117.0,9.333333333333332,4.666666666666667,2.6666666666666665,3.44,2.36,1.08,139,73,66,74,8,2.36,2.36,0.0,138.99999999999997,4.0,4,4,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,39.8,32.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_W2O3,W2O3,unary_metal_oxide,1,"O, W",-2.94,0.203,0.35,0.167,0.304,good,2,0.6,0.4,2,34.4,3.008,99.4,12.0,3.6000000000000005,1.6,3.44,2.36,1.08,139,73,66,74,8,2.36,2.36,0.0,139.0,4.0,4,4,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,53.0,29.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_W3O4,W3O4,unary_metal_oxide,1,"O, W",-3.84,0.057,0.89,0.339,0.336,excellent,3,0.5714285714285714,0.4285714285714286,2,36.285714285714285,2.977142857142857,101.28571428571428,11.714285714285714,3.714285714285714,1.7142857142857142,3.44,2.36,1.08,139,73,66,74,8,2.36,2.36,0.0,138.99999999999997,4.0,4,4,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,5.6,17.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_ReO,ReO,unary_metal_oxide,1,"O, Re",-3.06,0.2,1.38,0.287,0.4,excellent,3,0.5,0.5,2,41.5,2.67,105.0,11.5,4.0,2.5,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,137.0,5.0,5,5,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,57.6,17.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_ReO2,ReO2,unary_metal_oxide,1,"O, Re",-3.21,0.343,1.22,0.272,0.342,excellent,3,0.6666666666666666,0.3333333333333333,2,30.33333333333333,2.9266666666666663,94.33333333333331,13.0,3.333333333333333,1.6666666666666663,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,136.99999999999997,4.999999999999999,5,5,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,6.1,28.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Re2O,Re2O,unary_metal_oxide,1,"O, Re",-3.0,0.403,0.71,0.345,0.375,good,2,0.3333333333333333,0.6666666666666667,2,52.66666666666666,2.413333333333333,115.66666666666666,10.0,4.666666666666667,3.333333333333333,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,136.99999999999997,4.999999999999999,5,5,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,48.5,9.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Re2O3,Re2O3,unary_metal_oxide,1,"O, Re",-3.34,0.114,0.96,0.482,0.259,excellent,3,0.6,0.4,2,34.8,2.824,98.6,12.4,3.6000000000000005,2.0,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,137.0,5.0,5,5,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Re3O4,Re3O4,unary_metal_oxide,1,"O, Re",-3.43,0.257,0.92,0.243,0.382,excellent,3,0.5714285714285714,0.4285714285714286,2,36.71428571428571,2.78,100.42857142857142,12.142857142857142,3.714285714285714,2.142857142857143,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,136.99999999999997,4.999999999999999,5,5,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,5.0,52.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_OsO,OsO,unary_metal_oxide,1,"O, Os",-2.88,0.363,1.04,0.162,0.279,good,2,0.5,0.5,2,42.0,2.8200000000000003,104.0,12.0,4.0,3.0,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.2,2.2,0.0,135.0,6.0,6,6,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,80.8,35.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_OsO2,OsO2,unary_metal_oxide,1,"O, Os",-3.36,0.001,0.91,0.365,0.235,excellent,3,0.6666666666666666,0.3333333333333333,2,30.666666666666664,3.0266666666666664,93.66666666666666,13.333333333333332,3.333333333333333,2.0,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.2,2.2,0.0,134.99999999999997,5.999999999999999,6,6,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,30.8,22.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Os2O,Os2O,unary_metal_oxide,1,"O, Os",-3.71,0.174,0.51,0.3,0.202,excellent,3,0.3333333333333333,0.6666666666666667,2,53.33333333333333,2.6133333333333333,114.33333333333331,10.666666666666666,4.666666666666667,4.0,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.2,2.2,0.0,134.99999999999997,5.999999999999999,6,6,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.6,28.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Os2O3,Os2O3,unary_metal_oxide,1,"O, Os",-3.02,0.016,0.82,0.41,0.304,good,2,0.6,0.4,2,35.2,2.944,97.8,12.8,3.6000000000000005,2.4000000000000004,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.2,2.2,0.0,135.0,6.000000000000001,6,6,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,52.1,44.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Os3O4,Os3O4,unary_metal_oxide,1,"O, Os",-2.34,0.241,0.63,0.437,0.212,good,2,0.5714285714285714,0.4285714285714286,2,37.14285714285714,2.9085714285714284,99.57142857142856,12.571428571428571,3.714285714285714,2.571428571428571,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.2,2.2,0.0,134.99999999999997,5.999999999999999,6,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,12.7,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_IrO,IrO,unary_metal_oxide,1,"Ir, O",-3.87,0.242,1.16,0.32,0.368,excellent,3,0.5,0.5,2,42.5,2.8200000000000003,104.5,12.5,4.0,3.5,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,136.0,7.0,7,7,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,55.9,28.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_IrO2,IrO2,unary_metal_oxide,1,"Ir, O",-2.36,0.298,0.97,0.343,0.283,good,2,0.6666666666666666,0.3333333333333333,2,31.0,3.0266666666666664,94.0,13.666666666666666,3.333333333333333,2.333333333333333,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.99999999999997,6.999999999999998,7,7,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,51.8,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ir2O,Ir2O,unary_metal_oxide,1,"Ir, O",-3.34,0.197,0.0,0.272,0.328,good,2,0.3333333333333333,0.6666666666666667,2,53.99999999999999,2.6133333333333333,115.0,11.333333333333332,4.666666666666667,4.666666666666666,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.99999999999997,6.999999999999998,7,7,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,40.7,45.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ir2O3,Ir2O3,unary_metal_oxide,1,"Ir, O",-3.36,0.247,0.88,0.244,0.325,excellent,3,0.6,0.4,2,35.6,2.944,98.2,13.2,3.6000000000000005,2.8000000000000003,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,136.0,7.0,7,7,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,51.7,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ir3O4,Ir3O4,unary_metal_oxide,1,"Ir, O",-2.49,0.155,1.09,0.393,0.337,good,2,0.5714285714285714,0.4285714285714286,2,37.57142857142857,2.9085714285714284,100.0,13.0,3.714285714285714,3.0,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,136.0,6.999999999999999,7,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_PtO,PtO,unary_metal_oxide,1,"O, Pt",-2.83,0.093,0.82,0.183,0.212,good,2,0.5,0.5,2,43.0,2.86,106.0,13.0,4.0,4.5,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,139.0,9.0,9,9,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,61.2,25.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_PtO2,PtO2,unary_metal_oxide,1,"O, Pt",-3.17,0.128,0.84,0.282,0.237,good,2,0.6666666666666666,0.3333333333333333,2,31.33333333333333,3.053333333333333,95.0,14.0,3.333333333333333,3.0,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,138.99999999999997,8.999999999999998,9,9,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,58.0,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Pt2O,Pt2O,unary_metal_oxide,1,"O, Pt",-3.46,0.35,1.03,0.157,0.25,excellent,3,0.3333333333333333,0.6666666666666667,2,54.66666666666666,2.666666666666666,117.0,12.0,4.666666666666667,6.0,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,138.99999999999997,8.999999999999998,9,9,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.5,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Pt2O3,Pt2O3,unary_metal_oxide,1,"O, Pt",-3.75,0.567,1.04,0.364,0.235,excellent,3,0.6,0.4,2,36.0,2.976,99.4,13.6,3.6000000000000005,3.6,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,139.0,9.0,9,9,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,49.9,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Pt3O4,Pt3O4,unary_metal_oxide,1,"O, Pt",-3.52,0.115,0.78,0.325,0.21,excellent,3,0.5714285714285714,0.4285714285714286,2,37.99999999999999,2.9428571428571426,101.28571428571428,13.428571428571429,3.714285714285714,3.8571428571428568,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,138.99999999999997,8.999999999999998,9,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,61.4,45.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_AuO,AuO,unary_metal_oxide,1,"Au, O",-3.23,0.165,0.8,0.39,0.253,good,2,0.5,0.5,2,43.5,2.99,108.5,13.5,4.0,5.0,3.44,2.54,0.8999999999999999,144,73,71,79,8,2.54,2.54,0.0,144.0,10.0,10,10,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,42.6,26.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_AuO2,AuO2,unary_metal_oxide,1,"Au, O",-3.71,0.36,1.01,0.241,0.254,excellent,3,0.6666666666666666,0.3333333333333333,2,31.666666666666664,3.14,96.66666666666666,14.333333333333332,3.333333333333333,3.333333333333333,3.44,2.54,0.8999999999999999,144,73,71,79,8,2.54,2.54,0.0,143.99999999999997,9.999999999999998,10,10,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.2,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Au2O,Au2O,unary_metal_oxide,1,"Au, O",-3.3,0.018,0.07,0.394,0.284,good,2,0.3333333333333333,0.6666666666666667,2,55.33333333333333,2.84,120.33333333333331,12.666666666666666,4.666666666666667,6.666666666666666,3.44,2.54,0.8999999999999999,144,73,71,79,8,2.54,2.54,0.0,143.99999999999997,9.999999999999998,10,10,0.0,0.0,0.6666666666666666,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,54.1,35.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Au2O3,Au2O3,unary_metal_oxide,1,"Au, O",-2.64,0.056,0.34,0.345,0.256,good,2,0.6,0.4,2,36.4,3.08,101.4,14.0,3.6000000000000005,4.0,3.44,2.54,0.8999999999999999,144,73,71,79,8,2.54,2.54,0.0,144.0,10.0,10,10,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,40.0,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Au3O4,Au3O4,unary_metal_oxide,1,"Au, O",-3.18,0.056,0.85,0.168,0.15,good,2,0.5714285714285714,0.4285714285714286,2,38.42857142857142,3.0542857142857143,103.42857142857142,13.857142857142858,3.714285714285714,4.285714285714286,3.44,2.54,0.8999999999999999,144,73,71,79,8,2.54,2.54,0.0,143.99999999999997,9.999999999999998,10,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_AlO,AlO,unary_metal_oxide,1,"Al, O",-2.45,0.107,4.12,0.27,0.422,excellent,3,0.5,0.5,2,10.5,2.525,95.5,14.5,2.5,0.0,3.44,1.61,1.83,118,73,45,13,8,1.61,1.61,0.0,118.0,0.0,0,0,0.5,0.0,0.0,0.5,0,0,0.0,True,False,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,62.9,47.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_AlO2,AlO2,unary_metal_oxide,1,"Al, O",-2.41,0.476,3.46,0.433,0.464,excellent,3,0.6666666666666666,0.3333333333333333,2,9.666666666666666,2.83,88.0,15.0,2.333333333333333,0.0,3.44,1.61,1.83,118,73,45,13,8,1.61,1.61,0.0,117.99999999999996,0.0,0,0,0.3333333333333333,0.0,0.0,0.3333333333333333,0,0,0.0,True,False,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,25.6,27.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Al2O,Al2O,unary_metal_oxide,1,"Al, O",-2.26,0.401,2.15,0.404,0.377,good,2,0.3333333333333333,0.6666666666666667,2,11.333333333333332,2.22,103.0,14.0,2.6666666666666665,0.0,3.44,1.61,1.83,118,73,45,13,8,1.61,1.61,0.0,117.99999999999996,0.0,0,0,0.6666666666666666,0.0,0.0,0.6666666666666666,0,0,0.0,True,False,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,65.7,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Al2O3,Al2O3,unary_metal_oxide,1,"Al, O",-2.84,0.451,3.88,0.352,0.394,excellent,3,0.6,0.4,2,10.0,2.708,91.0,14.8,2.4000000000000004,0.0,3.44,1.61,1.83,118,73,45,13,8,1.61,1.61,0.0,118.0,0.0,0,0,0.4,0.0,0.0,0.4,0,0,0.0,True,False,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.8,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Al3O4,Al3O4,unary_metal_oxide,1,"Al, O",-3.05,0.157,3.54,0.41,0.501,excellent,3,0.5714285714285714,0.4285714285714286,2,10.142857142857142,2.6557142857142857,92.28571428571428,14.714285714285714,2.4285714285714284,0.0,3.44,1.61,1.83,118,73,45,13,8,1.61,1.61,0.0,118.0,0.0,0,0,0.4285714285714285,0.0,0.0,0.4285714285714285,0,0,0.0,True,False,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,29.1,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_SnO,SnO,unary_metal_oxide,1,"O, Sn",-2.54,0.149,0.45,0.322,0.367,good,2,0.5,0.5,2,29.0,2.7,109.0,15.0,3.5,5.0,3.44,1.96,1.48,145,73,72,50,8,1.96,1.96,0.0,145.0,10.0,10,10,0.0,0.5,0.0,0.5,0,0,0.0,False,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,18.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_SnO2,SnO2,unary_metal_oxide,1,"O, Sn",-2.64,0.232,1.18,0.492,0.279,good,2,0.6666666666666666,0.3333333333333333,2,22.0,2.9466666666666663,97.0,15.333333333333332,3.0,3.333333333333333,3.44,1.96,1.48,145,73,72,50,8,1.96,1.96,0.0,144.99999999999997,9.999999999999998,10,10,0.0,0.3333333333333333,0.0,0.3333333333333333,0,0,0.0,False,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,35.3,20.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Sn2O,Sn2O,unary_metal_oxide,1,"O, Sn",-3.52,0.11,0.18,0.444,0.324,good,2,0.3333333333333333,0.6666666666666667,2,35.99999999999999,2.453333333333333,121.0,14.666666666666664,4.0,6.666666666666666,3.44,1.96,1.48,145,73,72,50,8,1.96,1.96,0.0,144.99999999999997,9.999999999999998,10,10,0.0,0.6666666666666666,0.0,0.6666666666666666,0,0,0.0,False,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,61.4,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Sn2O3,Sn2O3,unary_metal_oxide,1,"O, Sn",-3.67,0.09,1.11,0.344,0.268,excellent,3,0.6,0.4,2,24.8,2.848,101.8,15.2,3.2,4.0,3.44,1.96,1.48,145,73,72,50,8,1.96,1.96,0.0,145.0,10.0,10,10,0.0,0.4,0.0,0.4,0,0,0.0,False,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,42.5,58.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Sn3O4,Sn3O4,unary_metal_oxide,1,"O, Sn",-2.81,0.083,1.45,0.316,0.216,good,2,0.5714285714285714,0.4285714285714286,2,26.0,2.8057142857142856,103.85714285714286,15.142857142857142,3.2857142857142856,4.285714285714286,3.44,1.96,1.48,145,73,72,50,8,1.96,1.96,0.0,144.99999999999997,9.999999999999998,10,10,0.0,0.4285714285714285,0.0,0.4285714285714285,0,0,0.0,False,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.6,17.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_BiO,BiO,unary_metal_oxide,1,"Bi, O",-3.85,0.033,1.2,0.421,0.297,excellent,3,0.5,0.5,2,45.5,2.73,108.0,15.5,4.0,5.0,3.44,2.02,1.42,143,73,70,83,8,2.02,2.02,0.0,143.0,10.0,10,10,0.0,0.0,0.5,0.5,0,0,0.0,False,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,34.5,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_BiO2,BiO2,unary_metal_oxide,1,"Bi, O",-3.16,0.063,1.0,0.317,0.234,good,2,0.6666666666666666,0.3333333333333333,2,33.0,2.9666666666666663,96.33333333333331,15.666666666666666,3.333333333333333,3.333333333333333,3.44,2.02,1.42,143,73,70,83,8,2.02,2.02,0.0,142.99999999999997,9.999999999999998,10,10,0.0,0.0,0.3333333333333333,0.3333333333333333,0,0,0.0,False,False,True,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,36.3,29.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Bi2O,Bi2O,unary_metal_oxide,1,"Bi, O",-3.78,0.234,0.57,0.27,0.273,excellent,3,0.3333333333333333,0.6666666666666667,2,57.99999999999999,2.493333333333333,119.66666666666666,15.333333333333332,4.666666666666667,6.666666666666666,3.44,2.02,1.42,143,73,70,83,8,2.02,2.02,0.0,142.99999999999997,9.999999999999998,10,10,0.0,0.0,0.6666666666666666,0.6666666666666666,0,0,0.0,False,False,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,22.5,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Bi2O3,Bi2O3,unary_metal_oxide,1,"Bi, O",-2.8,0.068,1.12,0.241,0.203,good,2,0.6,0.4,2,38.0,2.872,101.0,15.6,3.6000000000000005,4.0,3.44,2.02,1.42,143,73,70,83,8,2.02,2.02,0.0,143.0,10.0,10,10,0.0,0.0,0.4,0.4,0,0,0.0,False,False,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.8,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Bi3O4,Bi3O4,unary_metal_oxide,1,"Bi, O",-3.35,0.143,1.17,0.242,0.175,excellent,3,0.5714285714285714,0.4285714285714286,2,40.14285714285714,2.831428571428571,103.0,15.57142857142857,3.714285714285714,4.285714285714286,3.44,2.02,1.42,143,73,70,83,8,2.02,2.02,0.0,143.0,9.999999999999998,10,10,0.0,0.0,0.4285714285714285,0.4285714285714285,0,0,0.0,False,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,41.1,54.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_LaO,LaO,unary_metal_oxide,1,"La, O",-2.63,0.038,0.77,0.39,0.384,good,2,0.5,0.5,2,32.5,2.27,130.0,9.5,4.0,0.5,3.44,1.1,2.34,187,73,114,57,8,1.1,1.1,0.0,187.0,1.0,1,1,0.0,0.0,0.5,0.0,0,0,0.5,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,51.8,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_LaO2,LaO2,unary_metal_oxide,1,"La, O",-2.53,0.03,1.66,0.344,0.416,good,2,0.6666666666666666,0.3333333333333333,2,24.33333333333333,2.66,111.0,11.666666666666666,3.333333333333333,0.3333333333333333,3.44,1.1,2.34,187,73,114,57,8,1.1,1.1,0.0,187.0,1.0,1,1,0.0,0.0,0.3333333333333333,0.0,0,0,0.3333333333333333,False,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,49.6,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_La2O,La2O,unary_metal_oxide,1,"La, O",-2.91,0.079,0.88,0.323,0.439,good,2,0.3333333333333333,0.6666666666666667,2,40.66666666666666,1.88,149.0,7.333333333333333,4.666666666666667,0.6666666666666666,3.44,1.1,2.34,187,73,114,57,8,1.1,1.1,0.0,187.0,1.0,1,1,0.0,0.0,0.6666666666666666,0.0,0,0,0.6666666666666666,False,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,46.0,43.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_La2O3,La2O3,unary_metal_oxide,1,"La, O",-2.46,0.021,1.62,0.401,0.386,good,2,0.6,0.4,2,27.6,2.504,118.6,10.8,3.6000000000000005,0.4,3.44,1.1,2.34,187,73,114,57,8,1.1,1.1,0.0,187.0,1.0,1,1,0.0,0.0,0.4,0.0,0,0,0.4,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,15.6,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_La3O4,La3O4,unary_metal_oxide,1,"La, O",-2.67,0.272,1.25,0.315,0.317,good,2,0.5714285714285714,0.4285714285714286,2,29.0,2.437142857142857,121.85714285714286,10.428571428571429,3.714285714285714,0.4285714285714285,3.44,1.1,2.34,187,73,114,57,8,1.1,1.1,0.0,187.0,1.0,1,1,0.0,0.0,0.4285714285714285,0.0,0,0,0.4285714285714285,False,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,19.5,55.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CeO,CeO,unary_metal_oxide,1,"Ce, O",-2.69,0.107,0.47,0.276,0.507,good,2,0.5,0.5,2,33.0,2.28,127.5,9.5,4.0,0.5,3.44,1.12,2.32,182,73,109,58,8,1.12,1.12,0.0,182.0,1.0,1,1,0.0,0.0,0.5,0.0,0,0,0.5,False,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,23.4,50.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_CeO2,CeO2,unary_metal_oxide,1,"Ce, O",-3.45,0.143,2.19,0.241,0.471,excellent,3,0.6666666666666666,0.3333333333333333,2,24.666666666666664,2.6666666666666665,109.33333333333331,11.666666666666666,3.333333333333333,0.3333333333333333,3.44,1.12,2.32,182,73,109,58,8,1.12,1.12,0.0,182.0,1.0,1,1,0.0,0.0,0.3333333333333333,0.0,0,0,0.3333333333333333,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,52.7,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ce2O,Ce2O,unary_metal_oxide,1,"Ce, O",-3.44,0.249,0.55,0.287,0.385,good,2,0.3333333333333333,0.6666666666666667,2,41.33333333333333,1.893333333333333,145.66666666666666,7.333333333333333,4.666666666666667,0.6666666666666666,3.44,1.12,2.32,182,73,109,58,8,1.12,1.12,0.0,182.0,1.0,1,1,0.0,0.0,0.6666666666666666,0.0,0,0,0.6666666666666666,False,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,50.4,45.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ce2O3,Ce2O3,unary_metal_oxide,1,"Ce, O",-2.78,0.033,1.71,0.433,0.358,good,2,0.6,0.4,2,28.000000000000004,2.512,116.6,10.8,3.6000000000000005,0.4,3.44,1.12,2.32,182,73,109,58,8,1.12,1.12,0.0,182.0,1.0,1,1,0.0,0.0,0.4,0.0,0,0,0.4,False,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,42.1,9.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_Ce3O4,Ce3O4,unary_metal_oxide,1,"Ce, O",-2.95,0.268,1.44,0.388,0.228,good,2,0.5714285714285714,0.4285714285714286,2,29.428571428571423,2.4457142857142857,119.71428571428572,10.428571428571429,3.714285714285714,0.4285714285714285,3.44,1.12,2.32,182,73,109,58,8,1.12,1.12,0.0,182.0,1.0,1,1,0.0,0.0,0.4285714285714285,0.0,0,0,0.4285714285714285,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,7.0,19.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Materials Project, Jain et al., APL Materials 2013",DFT (PBE) with VASP; energies from MP + OC22
oxide_TiV2O4,TiV2O4,bimetallic_oxide,2,"O, Ti, V",-2.79,0.078,2.19,0.33,0.419,excellent,3,0.5714285714285714,0.4285714285714286,3,14.285714285714285,2.6514285714285712,101.0,11.142857142857142,2.8571428571428568,1.1428571428571428,3.44,1.54,1.9,147,73,74,23,8,1.63,1.54,0.0899999999999998,138.33333333333331,2.6666666666666665,5,3,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.2,37.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2VO4,Ti2VO4,bimetallic_oxide,2,"O, Ti, V",-3.0,0.165,2.34,0.348,0.417,excellent,3,0.5714285714285714,0.4285714285714286,3,14.142857142857142,2.6385714285714283,102.85714285714286,11.0,2.8571428571428568,1.0,3.44,1.54,1.9,147,73,74,23,8,1.63,1.54,0.0899999999999998,142.66666666666666,2.333333333333333,5,3,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,69.1,29.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiVO2,TiVO2,bimetallic_oxide,2,"O, Ti, V",-2.63,0.029,2.24,0.212,0.322,excellent,3,0.5,0.5,3,15.25,2.5125,106.75,10.25,3.0,1.25,3.44,1.54,1.9,147,73,74,23,8,1.63,1.54,0.0899999999999998,140.5,2.5,5,3,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.1,10.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiVO3,TiVO3,bimetallic_oxide,2,"O, Ti, V",-2.2,0.055,2.23,0.391,0.316,good,2,0.6,0.4,3,13.8,2.698,100.0,11.4,2.8,1.0,3.44,1.54,1.9,147,73,74,23,8,1.63,1.54,0.0899999999999998,140.5,2.5,5,3,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.6,40.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiVO4,TiVO4,bimetallic_oxide,2,"O, Ti, V",-2.28,0.064,2.76,0.49,0.347,good,2,0.6666666666666666,0.3333333333333333,3,12.833333333333332,2.8216666666666663,95.5,12.166666666666666,2.6666666666666665,0.8333333333333333,3.44,1.54,1.9,147,73,74,23,8,1.63,1.54,0.0899999999999998,140.49999999999997,2.5,5,3,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,46.4,55.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMn2O4,TiMn2O4,bimetallic_oxide,2,"Mn, O, Ti",-2.66,0.188,1.92,0.342,0.283,good,2,0.5714285714285714,0.4285714285714286,3,14.857142857142856,2.628571428571429,99.0,11.714285714285714,2.8571428571428568,1.714285714285714,3.44,1.54,1.9,147,73,74,25,8,1.55,1.54,0.01,133.66666666666666,3.999999999999999,7,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,34.8,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2MnO4,Ti2MnO4,bimetallic_oxide,2,"Mn, O, Ti",-2.8,0.405,2.42,0.298,0.424,excellent,3,0.5714285714285714,0.4285714285714286,3,14.428571428571429,2.627142857142857,101.85714285714286,11.285714285714285,2.8571428571428568,1.2857142857142856,3.44,1.54,1.9,147,73,74,25,8,1.55,1.54,0.01,140.33333333333331,3.0,7,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,72.2,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMnO2,TiMnO2,bimetallic_oxide,2,"Mn, O, Ti",-2.63,0.072,2.09,0.293,0.313,good,2,0.5,0.5,3,15.75,2.4925,105.0,10.75,3.0,1.75,3.44,1.54,1.9,147,73,74,25,8,1.55,1.54,0.01,137.0,3.5,7,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.4,43.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMnO3,TiMnO3,bimetallic_oxide,2,"Mn, O, Ti",-1.56,0.106,1.67,0.24,0.383,good,2,0.6,0.4,3,14.2,2.6820000000000004,98.6,11.8,2.8,1.4,3.44,1.54,1.9,147,73,74,25,8,1.55,1.54,0.01,137.0,3.5,7,5,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,71.9,22.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMnO4,TiMnO4,bimetallic_oxide,2,"Mn, O, Ti",-3.05,0.34,2.45,0.178,0.347,excellent,3,0.6666666666666666,0.3333333333333333,3,13.166666666666666,2.808333333333333,94.33333333333331,12.5,2.6666666666666665,1.1666666666666663,3.44,1.54,1.9,147,73,74,25,8,1.55,1.54,0.01,136.99999999999997,3.5,7,5,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,27.0,10.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCo2O4,TiCo2O4,bimetallic_oxide,2,"Co, O, Ti",-2.29,0.066,1.25,0.456,0.371,good,2,0.5714285714285714,0.4285714285714286,3,15.428571428571429,2.7228571428571424,98.42857142857144,12.285714285714285,2.8571428571428568,2.2857142857142856,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,132.33333333333331,5.333333333333333,9,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.3,12.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2CoO4,Ti2CoO4,bimetallic_oxide,2,"Co, O, Ti",-2.02,0.06,1.58,0.406,0.406,good,2,0.5714285714285714,0.4285714285714286,3,14.714285714285714,2.674285714285714,101.57142857142856,11.571428571428571,2.8571428571428568,1.5714285714285714,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,139.66666666666666,3.666666666666666,9,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,36.6,24.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCoO2,TiCoO2,bimetallic_oxide,2,"Co, O, Ti",-2.12,0.185,1.48,0.364,0.198,good,2,0.5,0.5,3,16.25,2.575,104.5,11.25,3.0,2.25,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,136.0,4.5,9,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,36.4,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCoO3,TiCoO3,bimetallic_oxide,2,"Co, O, Ti",-2.65,0.039,2.19,0.481,0.327,good,2,0.6,0.4,3,14.6,2.748,98.2,12.2,2.8,1.8000000000000005,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,136.0,4.5,9,7,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,44.2,19.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCoO4,TiCoO4,bimetallic_oxide,2,"Co, O, Ti",-2.75,0.244,2.34,0.271,0.305,excellent,3,0.6666666666666666,0.3333333333333333,3,13.5,2.863333333333333,94.0,12.833333333333332,2.6666666666666665,1.4999999999999998,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,135.99999999999997,4.499999999999999,9,7,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,59.0,51.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCu2O4,TiCu2O4,bimetallic_oxide,2,"Cu, O, Ti",-2.69,0.006,0.36,0.244,0.242,good,2,0.5714285714285714,0.4285714285714286,3,15.999999999999998,2.728571428571428,99.28571428571428,12.857142857142856,2.8571428571428568,3.1428571428571423,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,134.33333333333331,7.333333333333332,12,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,78.9,9.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2CuO4,Ti2CuO4,bimetallic_oxide,2,"Cu, O, Ti",-2.75,0.077,1.43,0.38,0.2,good,2,0.5714285714285714,0.4285714285714286,3,15.0,2.677142857142857,102.0,11.857142857142856,2.8571428571428568,2.0,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,140.66666666666666,4.666666666666666,12,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,49.2,45.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCuO2,TiCuO2,bimetallic_oxide,2,"Cu, O, Ti",-2.21,0.033,0.87,0.34,0.212,good,2,0.5,0.5,3,16.75,2.58,105.25,11.75,3.0,3.0,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,137.5,6.0,12,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.8,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCuO3,TiCuO3,bimetallic_oxide,2,"Cu, O, Ti",-2.45,0.576,1.86,0.309,0.393,good,2,0.6,0.4,3,15.0,2.752,98.8,12.6,2.8,2.4,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,137.5,6.0,12,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,27.5,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiCuO4,TiCuO4,bimetallic_oxide,2,"Cu, O, Ti",-2.49,0.111,1.3,0.31,0.325,good,2,0.6666666666666666,0.3333333333333333,3,13.833333333333332,2.8666666666666663,94.5,13.166666666666666,2.6666666666666665,2.0,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,137.49999999999997,5.999999999999999,12,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.3,37.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiZr2O4,TiZr2O4,bimetallic_oxide,2,"O, Ti, Zr",-2.71,0.006,1.79,0.346,0.279,good,2,0.5714285714285714,0.4285714285714286,3,19.142857142857142,2.5657142857142854,108.42857142857142,10.857142857142856,3.1428571428571423,0.8571428571428571,3.44,1.33,2.11,160,73,87,40,8,1.54,1.33,0.2099999999999999,155.66666666666663,2.0,4,2,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.4,49.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2ZrO4,Ti2ZrO4,bimetallic_oxide,2,"O, Ti, Zr",-2.65,0.05,2.1,0.481,0.366,good,2,0.5714285714285714,0.4285714285714286,3,16.57142857142857,2.5957142857142856,106.57142857142856,10.857142857142856,3.0,0.8571428571428571,3.44,1.33,2.11,160,73,87,40,8,1.54,1.33,0.2099999999999999,151.33333333333331,2.0,4,2,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.7,37.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiZrO2,TiZrO2,bimetallic_oxide,2,"O, Ti, Zr",-2.75,0.41,1.78,0.235,0.471,good,2,0.5,0.5,3,19.5,2.4375,113.25,10.0,3.25,1.0,3.44,1.33,2.11,160,73,87,40,8,1.54,1.33,0.2099999999999999,153.5,2.0,4,2,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.2,32.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiZrO3,TiZrO3,bimetallic_oxide,2,"O, Ti, Zr",-2.51,0.194,2.16,0.379,0.382,good,2,0.6,0.4,3,17.2,2.638,105.2,11.2,3.0,0.8,3.44,1.33,2.11,160,73,87,40,8,1.54,1.33,0.2099999999999999,153.5,2.0,4,2,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,26.9,49.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiZrO4,TiZrO4,bimetallic_oxide,2,"O, Ti, Zr",-2.57,0.073,1.78,0.239,0.432,good,2,0.6666666666666666,0.3333333333333333,3,15.666666666666666,2.7716666666666665,99.83333333333331,12.0,2.833333333333333,0.6666666666666666,3.44,1.33,2.11,160,73,87,40,8,1.54,1.33,0.2099999999999999,153.49999999999997,2.0,4,2,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,34.5,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMo2O4,TiMo2O4,bimetallic_oxide,2,"Mo, O, Ti",-2.59,0.378,1.05,0.19,0.468,good,2,0.5714285714285714,0.4285714285714286,3,19.714285714285715,2.8028571428571425,102.42857142857144,11.428571428571429,3.1428571428571423,1.714285714285714,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,141.66666666666666,3.999999999999999,7,5,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,51.3,41.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2MoO4,Ti2MoO4,bimetallic_oxide,2,"Mo, O, Ti",-2.4,0.144,2.09,0.298,0.46,good,2,0.5714285714285714,0.4285714285714286,3,16.857142857142858,2.714285714285714,103.57142857142856,11.142857142857142,3.0,1.2857142857142856,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,144.33333333333331,3.0,7,5,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,16.2,45.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMoO2,TiMoO2,bimetallic_oxide,2,"Mo, O, Ti",-2.93,0.02,1.03,0.195,0.261,good,2,0.5,0.5,3,20.0,2.645,108.0,10.5,3.25,1.75,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,143.0,3.5,7,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.0,45.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMoO3,TiMoO3,bimetallic_oxide,2,"Mo, O, Ti",-2.96,0.006,1.26,0.17,0.271,good,2,0.6,0.4,3,17.6,2.8040000000000003,101.0,11.6,3.0,1.4,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,143.0,3.5,7,5,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.9,74.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiMoO4,TiMoO4,bimetallic_oxide,2,"Mo, O, Ti",-2.93,0.779,2.17,0.409,0.335,excellent,3,0.6666666666666666,0.3333333333333333,3,16.0,2.91,96.33333333333331,12.333333333333332,2.833333333333333,1.1666666666666663,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,142.99999999999997,3.5,7,5,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.1,37.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiRh2O4,TiRh2O4,bimetallic_oxide,2,"O, Rh, Ti",-2.58,0.067,1.47,0.328,0.227,good,2,0.5714285714285714,0.4285714285714286,3,20.57142857142857,2.8371428571428567,101.0,12.285714285714285,3.1428571428571423,2.571428571428571,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,138.33333333333331,6.0,10,8,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,31.0,54.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2RhO4,Ti2RhO4,bimetallic_oxide,2,"O, Rh, Ti",-2.9,0.268,1.6,0.445,0.262,good,2,0.5714285714285714,0.4285714285714286,3,17.285714285714285,2.7314285714285718,102.85714285714286,11.571428571428571,3.0,1.7142857142857142,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,142.66666666666666,4.0,10,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,25.0,60.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiRhO2,TiRhO2,bimetallic_oxide,2,"O, Rh, Ti",-2.81,0.091,0.72,0.412,0.314,good,2,0.5,0.5,3,20.75,2.675,106.75,11.25,3.25,2.5,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,140.5,5.0,10,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,19.3,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiRhO3,TiRhO3,bimetallic_oxide,2,"O, Rh, Ti",-2.61,0.129,1.53,0.387,0.216,good,2,0.6,0.4,3,18.2,2.8280000000000003,100.0,12.2,3.0,2.0,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,140.5,5.0,10,8,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,58.4,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiRhO4,TiRhO4,bimetallic_oxide,2,"O, Rh, Ti",-2.27,0.111,1.66,0.207,0.339,good,2,0.6666666666666666,0.3333333333333333,3,16.5,2.93,95.5,12.833333333333332,2.833333333333333,1.6666666666666663,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,140.49999999999997,4.999999999999999,10,8,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,27.3,45.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAg2O4,TiAg2O4,bimetallic_oxide,2,"Ag, O, Ti",-2.55,0.104,1.01,0.277,0.204,good,2,0.5714285714285714,0.4285714285714286,3,21.142857142857142,2.737142857142857,103.85714285714286,12.857142857142856,3.1428571428571423,3.1428571428571423,3.44,1.54,1.9,147,73,74,47,8,1.93,1.54,0.3899999999999999,144.99999999999997,7.333333333333332,12,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.5,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2AgO4,Ti2AgO4,bimetallic_oxide,2,"Ag, O, Ti",-2.33,0.305,1.48,0.352,0.32,good,2,0.5714285714285714,0.4285714285714286,3,17.57142857142857,2.681428571428571,104.28571428571428,11.857142857142856,3.0,2.0,3.44,1.54,1.9,147,73,74,47,8,1.93,1.54,0.3899999999999999,145.99999999999997,4.666666666666666,12,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.1,38.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAgO2,TiAgO2,bimetallic_oxide,2,"Ag, O, Ti",-2.44,0.002,1.01,0.3,0.188,good,2,0.5,0.5,3,21.25,2.5875,109.25,11.75,3.25,3.0,3.44,1.54,1.9,147,73,74,47,8,1.93,1.54,0.3899999999999999,145.5,6.0,12,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,29.3,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAgO3,TiAgO3,bimetallic_oxide,2,"Ag, O, Ti",-2.23,0.002,1.27,0.232,0.24,good,2,0.6,0.4,3,18.6,2.758,102.0,12.6,3.0,2.4,3.44,1.54,1.9,147,73,74,47,8,1.93,1.54,0.3899999999999999,145.5,6.0,12,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,53.7,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAgO4,TiAgO4,bimetallic_oxide,2,"Ag, O, Ti",-2.84,0.08,0.55,0.487,0.375,good,2,0.6666666666666666,0.3333333333333333,3,16.833333333333332,2.871666666666666,97.16666666666666,13.166666666666666,2.833333333333333,2.0,3.44,1.54,1.9,147,73,74,47,8,1.93,1.54,0.3899999999999999,145.49999999999997,5.999999999999999,12,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,50.1,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiTa2O4,TiTa2O4,bimetallic_oxide,2,"O, Ta, Ti",-2.52,0.015,0.6,0.234,0.378,good,2,0.5714285714285714,0.4285714285714286,3,28.571428571428573,2.614285714285714,104.42857142857144,11.142857142857142,3.4285714285714284,1.1428571428571428,3.44,1.5,1.94,147,73,74,73,8,1.54,1.5,0.04,146.33333333333331,2.6666666666666665,5,3,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,54.7,22.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2TaO4,Ti2TaO4,bimetallic_oxide,2,"O, Ta, Ti",-2.45,0.24,1.79,0.4,0.302,good,2,0.5714285714285714,0.4285714285714286,3,21.285714285714285,2.62,104.57142857142856,11.0,3.142857142857143,1.0,3.44,1.5,1.94,147,73,74,73,8,1.54,1.5,0.04,146.66666666666666,2.333333333333333,5,3,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,28.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiTaO2,TiTaO2,bimetallic_oxide,2,"O, Ta, Ti",-3.08,0.042,0.74,0.355,0.417,good,2,0.5,0.5,3,27.75,2.48,109.75,10.25,3.5,1.25,3.44,1.5,1.94,147,73,74,73,8,1.54,1.5,0.04,146.5,2.5,5,3,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.5,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiTaO3,TiTaO3,bimetallic_oxide,2,"O, Ta, Ti",-2.41,0.073,1.32,0.296,0.348,good,2,0.6,0.4,3,23.8,2.672,102.4,11.4,3.2,1.0,3.44,1.5,1.94,147,73,74,73,8,1.54,1.5,0.04,146.5,2.5,5,3,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,48.0,55.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiTaO4,TiTaO4,bimetallic_oxide,2,"O, Ta, Ti",-2.02,0.18,2.04,0.342,0.336,good,2,0.6666666666666666,0.3333333333333333,3,21.166666666666664,2.8,97.5,12.166666666666666,3.0,0.8333333333333333,3.44,1.5,1.94,147,73,74,73,8,1.54,1.5,0.04,146.49999999999997,2.5,5,3,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.4,37.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiRe2O4,TiRe2O4,bimetallic_oxide,2,"O, Re, Ti",-3.09,0.001,0.96,0.263,0.379,good,2,0.5714285714285714,0.4285714285714286,3,29.142857142857142,2.728571428571428,101.85714285714286,11.714285714285714,3.4285714285714284,1.714285714285714,3.44,1.54,1.9,147,73,74,75,8,1.9,1.54,0.3599999999999999,140.33333333333331,3.999999999999999,7,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.6,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2ReO4,Ti2ReO4,bimetallic_oxide,2,"O, Re, Ti",-2.75,0.175,1.95,0.255,0.257,good,2,0.5714285714285714,0.4285714285714286,3,21.57142857142857,2.677142857142857,103.28571428571428,11.285714285714285,3.142857142857143,1.2857142857142856,3.44,1.54,1.9,147,73,74,75,8,1.9,1.54,0.3599999999999999,143.66666666666663,3.0,7,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.6,21.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiReO2,TiReO2,bimetallic_oxide,2,"O, Re, Ti",-3.48,0.096,1.39,0.307,0.358,excellent,3,0.5,0.5,3,28.25,2.58,107.5,10.75,3.5,1.75,3.44,1.54,1.9,147,73,74,75,8,1.9,1.54,0.3599999999999999,142.0,3.5,7,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,37.7,53.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiReO3,TiReO3,bimetallic_oxide,2,"O, Re, Ti",-2.69,0.021,1.16,0.408,0.442,good,2,0.6,0.4,3,24.2,2.752,100.6,11.8,3.2,1.4,3.44,1.54,1.9,147,73,74,75,8,1.9,1.54,0.3599999999999999,142.0,3.5,7,5,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,67.4,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiReO4,TiReO4,bimetallic_oxide,2,"O, Re, Ti",-2.91,0.011,1.24,0.403,0.429,good,2,0.6666666666666666,0.3333333333333333,3,21.5,2.8666666666666663,96.0,12.5,3.0,1.1666666666666663,3.44,1.54,1.9,147,73,74,75,8,1.9,1.54,0.3599999999999999,141.99999999999997,3.5,7,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,44.7,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiIr2O4,TiIr2O4,bimetallic_oxide,2,"Ir, O, Ti",-3.37,0.144,1.55,0.413,0.183,excellent,3,0.5714285714285714,0.4285714285714286,3,29.714285714285715,2.814285714285714,101.57142857142856,12.285714285714285,3.4285714285714284,2.2857142857142856,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,139.66666666666666,5.333333333333333,9,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,45.8,48.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2IrO4,Ti2IrO4,bimetallic_oxide,2,"Ir, O, Ti",-3.43,0.01,1.36,0.419,0.508,excellent,3,0.5714285714285714,0.4285714285714286,3,21.857142857142858,2.72,103.14285714285714,11.571428571428571,3.142857142857143,1.5714285714285714,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,143.33333333333331,3.666666666666666,9,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,27.7,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiIrO2,TiIrO2,bimetallic_oxide,2,"Ir, O, Ti",-3.23,0.015,1.19,0.302,0.338,excellent,3,0.5,0.5,3,28.75,2.655,107.25,11.25,3.5,2.25,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,141.5,4.5,9,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.0,49.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiIrO3,TiIrO3,bimetallic_oxide,2,"Ir, O, Ti",-2.54,0.451,1.31,0.342,0.344,good,2,0.6,0.4,3,24.6,2.8120000000000003,100.4,12.2,3.2,1.8000000000000005,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,141.5,4.5,9,7,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiIrO4,TiIrO4,bimetallic_oxide,2,"Ir, O, Ti",-3.04,0.267,1.04,0.228,0.284,good,2,0.6666666666666666,0.3333333333333333,3,21.83333333333333,2.9166666666666665,95.83333333333331,12.833333333333332,3.0,1.4999999999999998,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,141.49999999999997,4.499999999999999,9,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,22.1,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAu2O4,TiAu2O4,bimetallic_oxide,2,"Au, O, Ti",-3.26,0.05,1.36,0.283,0.196,excellent,3,0.5714285714285714,0.4285714285714286,3,30.285714285714285,2.911428571428571,103.85714285714286,12.857142857142856,3.4285714285714284,3.1428571428571423,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,144.99999999999997,7.333333333333332,12,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,20.8,34.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2AuO4,Ti2AuO4,bimetallic_oxide,2,"Au, O, Ti",-2.89,0.047,1.13,0.424,0.276,good,2,0.5714285714285714,0.4285714285714286,3,22.142857142857142,2.768571428571428,104.28571428571428,11.857142857142856,3.142857142857143,2.0,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,145.99999999999997,4.666666666666666,12,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.3,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAuO2,TiAuO2,bimetallic_oxide,2,"Au, O, Ti",-2.75,0.231,0.93,0.161,0.22,good,2,0.5,0.5,3,29.25,2.74,109.25,11.75,3.5,3.0,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,145.5,6.0,12,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.8,25.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAuO3,TiAuO3,bimetallic_oxide,2,"Au, O, Ti",-3.8,0.002,1.05,0.276,0.375,excellent,3,0.6,0.4,3,25.0,2.88,102.0,12.6,3.2,2.4,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,145.5,6.0,12,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.5,41.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiAuO4,TiAuO4,bimetallic_oxide,2,"Au, O, Ti",-2.93,0.001,1.05,0.419,0.263,good,2,0.6666666666666666,0.3333333333333333,3,22.166666666666664,2.973333333333333,97.16666666666666,13.166666666666666,3.0,2.0,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,145.49999999999997,5.999999999999999,12,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.4,49.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiSn2O4,TiSn2O4,bimetallic_oxide,2,"O, Sn, Ti",-2.75,0.156,0.84,0.294,0.311,good,2,0.5714285714285714,0.4285714285714286,3,22.0,2.7457142857142856,104.14285714285714,13.714285714285714,3.1428571428571423,3.1428571428571423,3.44,1.54,1.9,147,73,74,50,8,1.96,1.54,0.4199999999999999,145.66666666666663,7.333333333333332,12,10,0.1428571428571428,0.2857142857142857,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.8,24.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2SnO4,Ti2SnO4,bimetallic_oxide,2,"O, Sn, Ti",-2.2,0.142,1.68,0.262,0.311,good,2,0.5714285714285714,0.4285714285714286,3,18.0,2.685714285714285,104.42857142857144,12.285714285714285,3.0,2.0,3.44,1.54,1.9,147,73,74,50,8,1.96,1.54,0.4199999999999999,146.33333333333331,4.666666666666666,12,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,19.7,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiSnO2,TiSnO2,bimetallic_oxide,2,"O, Sn, Ti",-2.37,0.003,0.94,0.308,0.301,good,2,0.5,0.5,3,22.0,2.595,109.5,12.5,3.25,3.0,3.44,1.54,1.9,147,73,74,50,8,1.96,1.54,0.4199999999999999,146.0,6.0,12,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,18.5,23.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiSnO3,TiSnO3,bimetallic_oxide,2,"O, Sn, Ti",-2.67,0.081,1.1,0.442,0.225,good,2,0.6,0.4,3,19.2,2.764,102.2,13.2,3.0,2.4,3.44,1.54,1.9,147,73,74,50,8,1.96,1.54,0.4199999999999999,146.0,6.0,12,10,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,27.8,20.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiSnO4,TiSnO4,bimetallic_oxide,2,"O, Sn, Ti",-2.68,0.035,1.45,0.343,0.275,good,2,0.6666666666666666,0.3333333333333333,3,17.333333333333332,2.8766666666666665,97.33333333333331,13.666666666666666,2.833333333333333,2.0,3.44,1.54,1.9,147,73,74,50,8,1.96,1.54,0.4199999999999999,145.99999999999997,5.999999999999999,12,10,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,37.4,32.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiLa2O4,TiLa2O4,bimetallic_oxide,2,"La, O, Ti",-2.99,0.275,2.06,0.422,0.33,excellent,3,0.5714285714285714,0.4285714285714286,3,24.0,2.5,116.14285714285714,10.571428571428571,3.4285714285714284,0.5714285714285714,3.44,1.1,2.34,187,73,114,57,8,1.54,1.1,0.4399999999999999,173.66666666666663,1.3333333333333333,3,2,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,23.2,12.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ti2LaO4,Ti2LaO4,bimetallic_oxide,2,"La, O, Ti",-2.26,0.506,2.43,0.38,0.347,good,2,0.5714285714285714,0.4285714285714286,3,19.0,2.5628571428571427,110.42857142857144,10.714285714285714,3.142857142857143,0.7142857142857142,3.44,1.1,2.34,187,73,114,57,8,1.54,1.1,0.4399999999999999,160.33333333333331,1.6666666666666663,3,2,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,47.9,35.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiLaO2,TiLaO2,bimetallic_oxide,2,"La, O, Ti",-3.45,0.594,1.52,0.26,0.356,excellent,3,0.5,0.5,3,23.75,2.38,120.0,9.75,3.5,0.75,3.44,1.1,2.34,187,73,114,57,8,1.54,1.1,0.4399999999999999,167.0,1.5,3,2,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,48.0,45.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiLaO3,TiLaO3,bimetallic_oxide,2,"La, O, Ti",-2.88,0.555,2.05,0.187,0.399,excellent,3,0.6,0.4,3,20.6,2.592,110.6,11.0,3.2,0.6000000000000001,3.44,1.1,2.34,187,73,114,57,8,1.54,1.1,0.4399999999999999,167.0,1.5,3,2,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,False,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,35.8,63.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiLaO4,TiLaO4,bimetallic_oxide,2,"La, O, Ti",-2.74,0.174,3.05,0.404,0.408,excellent,3,0.6666666666666666,0.3333333333333333,3,18.5,2.733333333333333,104.33333333333331,11.833333333333332,3.0,0.5,3.44,1.1,2.34,187,73,114,57,8,1.54,1.1,0.4399999999999999,166.99999999999997,1.4999999999999998,3,2,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,47.8,23.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCr2O4,VCr2O4,bimetallic_oxide,2,"Cr, O, V",-1.98,0.16,1.5,0.189,0.309,good,2,0.5714285714285714,0.4285714285714286,3,14.714285714285714,2.6728571428571426,97.42857142857144,11.571428571428571,2.8571428571428568,1.857142857142857,3.44,1.63,1.81,134,73,61,24,8,1.66,1.63,0.03,130.0,4.333333333333332,8,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,65.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2CrO4,V2CrO4,bimetallic_oxide,2,"Cr, O, V",-2.59,0.022,1.86,0.453,0.327,good,2,0.5714285714285714,0.4285714285714286,3,14.571428571428571,2.668571428571428,98.28571428571428,11.428571428571429,2.8571428571428568,1.5714285714285712,3.44,1.63,1.81,134,73,61,24,8,1.66,1.63,0.03,132.0,3.666666666666666,8,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCrO2,VCrO2,bimetallic_oxide,2,"Cr, O, V",-3.29,0.184,1.3,0.172,0.346,excellent,3,0.5,0.5,3,15.75,2.5425,102.0,10.75,3.0,2.0,3.44,1.63,1.81,134,73,61,24,8,1.66,1.63,0.03,131.0,4.0,8,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.4,37.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCrO3,VCrO3,bimetallic_oxide,2,"Cr, O, V",-2.6,0.0,1.66,0.184,0.263,good,2,0.6,0.4,3,14.2,2.722,96.2,11.8,2.8,1.6,3.44,1.63,1.81,134,73,61,24,8,1.66,1.63,0.03,131.0,4.0,8,5,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,31.3,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCrO4,VCrO4,bimetallic_oxide,2,"Cr, O, V",-2.65,0.031,2.34,0.28,0.273,excellent,3,0.6666666666666666,0.3333333333333333,3,13.166666666666666,2.8416666666666663,92.33333333333331,12.5,2.6666666666666665,1.3333333333333333,3.44,1.63,1.81,134,73,61,24,8,1.66,1.63,0.03,130.99999999999997,3.999999999999999,8,5,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,73.6,14.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VFe2O4,VFe2O4,bimetallic_oxide,2,"Fe, O, V",-2.6,0.251,0.94,0.45,0.239,good,2,0.5714285714285714,0.4285714285714286,3,15.285714285714285,2.721428571428571,96.85714285714286,12.142857142857142,2.8571428571428568,2.142857142857143,3.44,1.63,1.81,134,73,61,26,8,1.83,1.63,0.2000000000000001,128.66666666666666,4.999999999999999,9,6,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,22.6,42.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2FeO4,V2FeO4,bimetallic_oxide,2,"Fe, O, V",-1.89,0.134,1.82,0.253,0.278,good,2,0.5714285714285714,0.4285714285714286,3,14.857142857142856,2.6928571428571426,98.0,11.714285714285714,2.8571428571428568,1.7142857142857142,3.44,1.63,1.81,134,73,61,26,8,1.83,1.63,0.2000000000000001,131.33333333333331,4.0,9,6,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.5,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VFeO2,VFeO2,bimetallic_oxide,2,"Fe, O, V",-3.14,0.046,1.63,0.394,0.297,excellent,3,0.5,0.5,3,16.25,2.585,101.5,11.25,3.0,2.25,3.44,1.63,1.81,134,73,61,26,8,1.83,1.63,0.2000000000000001,130.0,4.5,9,6,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.9,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VFeO3,VFeO3,bimetallic_oxide,2,"Fe, O, V",-2.1,0.014,1.51,0.313,0.325,good,2,0.6,0.4,3,14.6,2.756,95.8,12.2,2.8,1.8000000000000005,3.44,1.63,1.81,134,73,61,26,8,1.83,1.63,0.2000000000000001,130.0,4.500000000000001,9,6,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,42.1,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VFeO4,VFeO4,bimetallic_oxide,2,"Fe, O, V",-3.02,0.135,1.68,0.416,0.356,excellent,3,0.6666666666666666,0.3333333333333333,3,13.5,2.87,92.0,12.833333333333332,2.6666666666666665,1.5,3.44,1.63,1.81,134,73,61,26,8,1.83,1.63,0.2000000000000001,129.99999999999997,4.499999999999999,9,6,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,58.1,5.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNi2O4,VNi2O4,bimetallic_oxide,2,"Ni, O, V",-2.66,0.126,1.15,0.211,0.308,good,2,0.5714285714285714,0.4285714285714286,3,15.857142857142858,2.744285714285714,96.28571428571428,12.714285714285714,2.8571428571428568,2.714285714285714,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,127.33333333333331,6.333333333333333,11,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.6,50.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2NiO4,V2NiO4,bimetallic_oxide,2,"Ni, O, V",-2.43,0.051,1.57,0.336,0.262,good,2,0.5714285714285714,0.4285714285714286,3,15.142857142857142,2.704285714285714,97.71428571428572,12.0,2.8571428571428568,2.0,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,130.66666666666666,4.666666666666666,11,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.3,9.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNiO2,VNiO2,bimetallic_oxide,2,"Ni, O, V",-3.6,0.218,1.49,0.328,0.373,excellent,3,0.5,0.5,3,16.75,2.605,101.0,11.75,3.0,2.75,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,129.0,5.5,11,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,53.9,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNiO3,VNiO3,bimetallic_oxide,2,"Ni, O, V",-2.34,0.168,1.46,0.321,0.267,good,2,0.6,0.4,3,15.0,2.772,95.4,12.6,2.8,2.2,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,129.0,5.5,11,8,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.1,33.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNiO4,VNiO4,bimetallic_oxide,2,"Ni, O, V",-2.43,0.012,1.94,0.365,0.302,good,2,0.6666666666666666,0.3333333333333333,3,13.833333333333332,2.883333333333333,91.66666666666666,13.166666666666666,2.6666666666666665,1.8333333333333333,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,128.99999999999997,5.499999999999999,11,8,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.0,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VZn2O4,VZn2O4,bimetallic_oxide,2,"O, V, Zn",-3.33,0.6,0.67,0.22,0.335,good,2,0.5714285714285714,0.4285714285714286,3,16.428571428571427,2.67,99.14285714285714,13.285714285714285,2.8571428571428568,3.285714285714285,3.44,1.63,1.81,134,73,61,30,8,1.65,1.63,0.02,134.0,7.666666666666665,13,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.6,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2ZnO4,V2ZnO4,bimetallic_oxide,2,"O, V, Zn",-2.61,0.12,1.49,0.365,0.284,good,2,0.5714285714285714,0.4285714285714286,3,15.428571428571429,2.667142857142857,99.14285714285714,12.285714285714285,2.8571428571428568,2.2857142857142856,3.44,1.63,1.81,134,73,61,30,8,1.65,1.63,0.02,134.0,5.333333333333332,13,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.8,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VZnO2,VZnO2,bimetallic_oxide,2,"O, V, Zn",-2.47,0.498,1.05,0.316,0.345,good,2,0.5,0.5,3,17.25,2.54,103.5,12.25,3.0,3.25,3.44,1.63,1.81,134,73,61,30,8,1.65,1.63,0.02,134.0,6.5,13,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,40.6,18.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VZnO3,VZnO3,bimetallic_oxide,2,"O, V, Zn",-3.08,0.135,0.8,0.25,0.302,good,2,0.6,0.4,3,15.4,2.72,97.4,13.0,2.8,2.6,3.44,1.63,1.81,134,73,61,30,8,1.65,1.63,0.02,134.0,6.5,13,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,54.1,12.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VZnO4,VZnO4,bimetallic_oxide,2,"O, V, Zn",-2.47,0.018,1.14,0.296,0.258,good,2,0.6666666666666666,0.3333333333333333,3,14.166666666666666,2.8399999999999994,93.33333333333331,13.5,2.6666666666666665,2.1666666666666665,3.44,1.63,1.81,134,73,61,30,8,1.65,1.63,0.02,133.99999999999997,6.499999999999999,13,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.3,40.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNb2O4,VNb2O4,bimetallic_oxide,2,"Nb, O, V",-3.1,0.132,1.28,0.532,0.359,good,2,0.5714285714285714,0.4285714285714286,3,19.57142857142857,2.6557142857142857,102.57142857142856,11.285714285714285,3.1428571428571423,1.5714285714285714,3.44,1.6,1.84,146,73,73,41,8,1.63,1.6,0.0299999999999998,142.0,3.6666666666666665,7,4,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,33.7,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2NbO4,V2NbO4,bimetallic_oxide,2,"Nb, O, V",-3.2,0.105,1.7,0.315,0.324,excellent,3,0.5714285714285714,0.4285714285714286,3,17.0,2.66,100.85714285714286,11.285714285714285,3.0,1.4285714285714284,3.44,1.6,1.84,146,73,73,41,8,1.63,1.6,0.0299999999999998,138.0,3.333333333333333,7,4,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,68.9,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNbO2,VNbO2,bimetallic_oxide,2,"Nb, O, V",-3.17,0.087,1.57,0.446,0.333,excellent,3,0.5,0.5,3,20.0,2.5275,106.5,10.5,3.25,1.75,3.44,1.6,1.84,146,73,73,41,8,1.63,1.6,0.0299999999999998,140.0,3.5,7,4,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,71.4,23.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNbO3,VNbO3,bimetallic_oxide,2,"Nb, O, V",-2.85,0.069,2.39,0.287,0.399,excellent,3,0.6,0.4,3,17.6,2.71,99.8,11.6,3.0,1.4,3.44,1.6,1.84,146,73,73,41,8,1.63,1.6,0.0299999999999998,140.0,3.5,7,4,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.8,43.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VNbO4,VNbO4,bimetallic_oxide,2,"Nb, O, V",-2.21,0.015,1.84,0.453,0.368,good,2,0.6666666666666666,0.3333333333333333,3,16.0,2.831666666666666,95.33333333333331,12.333333333333332,2.833333333333333,1.1666666666666663,3.44,1.6,1.84,146,73,73,41,8,1.63,1.6,0.0299999999999998,139.99999999999997,3.5,7,4,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,9.9,40.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VRu2O4,VRu2O4,bimetallic_oxide,2,"O, Ru, V",-3.11,0.224,0.37,0.255,0.252,good,2,0.5714285714285714,0.4285714285714286,3,20.428571428571427,2.827142857142857,99.14285714285714,12.142857142857142,3.1428571428571423,2.4285714285714284,3.44,1.63,1.81,134,73,61,44,8,2.2,1.63,0.5700000000000003,134.0,5.666666666666666,10,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,5.0,18.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2RuO4,V2RuO4,bimetallic_oxide,2,"O, Ru, V",-2.47,0.101,1.24,0.459,0.322,good,2,0.5714285714285714,0.4285714285714286,3,17.428571428571427,2.7457142857142856,99.14285714285714,11.714285714285714,3.0,1.8571428571428568,3.44,1.63,1.81,134,73,61,44,8,2.2,1.63,0.5700000000000003,134.0,4.333333333333333,10,7,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,21.1,58.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VRuO2,VRuO2,bimetallic_oxide,2,"O, Ru, V",-2.63,0.111,0.61,0.355,0.206,good,2,0.5,0.5,3,20.75,2.6775,103.5,11.25,3.25,2.5,3.44,1.63,1.81,134,73,61,44,8,2.2,1.63,0.5700000000000003,134.0,5.0,10,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,17.4,27.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VRuO3,VRuO3,bimetallic_oxide,2,"O, Ru, V",-2.8,0.268,1.57,0.142,0.264,good,2,0.6,0.4,3,18.200000000000003,2.83,97.4,12.2,3.0,2.0,3.44,1.63,1.81,134,73,61,44,8,2.2,1.63,0.5700000000000003,134.0,5.0,10,7,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,83.0,15.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VRuO4,VRuO4,bimetallic_oxide,2,"O, Ru, V",-2.17,0.115,1.75,0.32,0.37,good,2,0.6666666666666666,0.3333333333333333,3,16.5,2.931666666666666,93.33333333333331,12.833333333333332,2.833333333333333,1.6666666666666663,3.44,1.63,1.81,134,73,61,44,8,2.2,1.63,0.5700000000000003,133.99999999999997,4.999999999999999,10,7,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,32.9,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPd2O4,VPd2O4,bimetallic_oxide,2,"O, Pd, V",-3.48,0.011,0.98,0.164,0.297,excellent,3,0.5714285714285714,0.4285714285714286,3,21.0,2.827142857142857,100.0,12.714285714285714,3.1428571428571423,3.285714285714285,3.44,1.63,1.81,137,73,64,46,8,2.2,1.63,0.5700000000000003,135.99999999999997,7.666666666666665,13,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,43.7,46.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2PdO4,V2PdO4,bimetallic_oxide,2,"O, Pd, V",-2.46,0.102,1.62,0.312,0.276,good,2,0.5714285714285714,0.4285714285714286,3,17.714285714285715,2.7457142857142856,99.57142857142856,12.0,3.0,2.2857142857142856,3.44,1.63,1.81,137,73,64,46,8,2.2,1.63,0.5700000000000003,135.0,5.333333333333332,13,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.8,18.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPdO2,VPdO2,bimetallic_oxide,2,"O, Pd, V",-2.93,0.239,0.94,0.347,0.233,good,2,0.5,0.5,3,21.25,2.6775,104.25,11.75,3.25,3.25,3.44,1.63,1.81,137,73,64,46,8,2.2,1.63,0.5700000000000003,135.5,6.5,13,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,44.2,17.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPdO3,VPdO3,bimetallic_oxide,2,"O, Pd, V",-2.8,0.22,0.59,0.32,0.289,good,2,0.6,0.4,3,18.6,2.83,98.0,12.6,3.0,2.6,3.44,1.63,1.81,137,73,64,46,8,2.2,1.63,0.5700000000000003,135.5,6.5,13,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,51.5,29.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPdO4,VPdO4,bimetallic_oxide,2,"O, Pd, V",-3.0,0.05,0.74,0.329,0.15,good,2,0.6666666666666666,0.3333333333333333,3,16.833333333333332,2.931666666666666,93.83333333333331,13.166666666666666,2.833333333333333,2.1666666666666665,3.44,1.63,1.81,137,73,64,46,8,2.2,1.63,0.5700000000000003,135.49999999999997,6.499999999999999,13,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,5.0,31.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VHf2O4,VHf2O4,bimetallic_oxide,2,"Hf, O, V",-2.36,0.151,0.85,0.226,0.291,good,2,0.5714285714285714,0.4285714285714286,3,28.428571428571427,2.57,106.28571428571428,11.0,3.4285714285714284,1.0,3.44,1.3,2.14,159,73,86,72,8,1.63,1.3,0.3299999999999998,150.66666666666666,2.333333333333333,5,3,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,20.1,17.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2HfO4,V2HfO4,bimetallic_oxide,2,"Hf, O, V",-2.86,0.29,1.67,0.414,0.325,good,2,0.5714285714285714,0.4285714285714286,3,21.428571428571427,2.617142857142857,102.71428571428572,11.142857142857142,3.142857142857143,1.1428571428571428,3.44,1.3,2.14,159,73,86,72,8,1.63,1.3,0.3299999999999998,142.33333333333331,2.6666666666666665,5,3,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,46.4,31.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VHfO2,VHfO2,bimetallic_oxide,2,"Hf, O, V",-3.12,0.002,0.85,0.369,0.334,good,2,0.5,0.5,3,27.75,2.4525,109.75,10.25,3.5,1.25,3.44,1.3,2.14,159,73,86,72,8,1.63,1.3,0.3299999999999998,146.5,2.5,5,3,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,24.5,9.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VHfO3,VHfO3,bimetallic_oxide,2,"Hf, O, V",-3.02,0.031,1.3,0.333,0.363,good,2,0.6,0.4,3,23.8,2.65,102.4,11.4,3.2,1.0,3.44,1.3,2.14,159,73,86,72,8,1.63,1.3,0.3299999999999998,146.5,2.5,5,3,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.5,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VHfO4,VHfO4,bimetallic_oxide,2,"Hf, O, V",-2.4,0.166,1.71,0.255,0.382,good,2,0.6666666666666666,0.3333333333333333,3,21.166666666666664,2.7816666666666663,97.5,12.166666666666666,3.0,0.8333333333333333,3.44,1.3,2.14,159,73,86,72,8,1.63,1.3,0.3299999999999998,146.49999999999997,2.5,5,3,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.1,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VW2O4,VW2O4,bimetallic_oxide,2,"O, V, W",-2.78,0.012,0.86,0.422,0.286,good,2,0.5714285714285714,0.4285714285714286,3,29.0,2.8728571428571428,100.57142857142856,11.571428571428571,3.4285714285714284,1.5714285714285714,3.44,1.63,1.81,139,73,66,74,8,2.36,1.63,0.73,137.33333333333331,3.6666666666666665,7,4,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,24.3,56.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2WO4,V2WO4,bimetallic_oxide,2,"O, V, W",-2.01,0.116,1.31,0.394,0.423,good,2,0.5714285714285714,0.4285714285714286,3,21.714285714285715,2.768571428571428,99.85714285714286,11.428571428571429,3.142857142857143,1.4285714285714284,3.44,1.63,1.81,139,73,66,74,8,2.36,1.63,0.73,135.66666666666666,3.333333333333333,7,4,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.0,37.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VWO2,VWO2,bimetallic_oxide,2,"O, V, W",-2.7,0.197,1.39,0.234,0.291,good,2,0.5,0.5,3,28.25,2.7175,104.75,10.75,3.5,1.75,3.44,1.63,1.81,139,73,66,74,8,2.36,1.63,0.73,136.5,3.5,7,4,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,64.7,25.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VWO3,VWO3,bimetallic_oxide,2,"O, V, W",-2.86,0.24,0.88,0.294,0.345,good,2,0.6,0.4,3,24.200000000000003,2.862,98.4,11.8,3.2,1.4,3.44,1.63,1.81,139,73,66,74,8,2.36,1.63,0.73,136.5,3.5,7,4,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,18.9,31.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VWO4,VWO4,bimetallic_oxide,2,"O, V, W",-2.57,0.101,1.28,0.359,0.346,good,2,0.6666666666666666,0.3333333333333333,3,21.5,2.958333333333333,94.16666666666666,12.5,3.0,1.1666666666666663,3.44,1.63,1.81,139,73,66,74,8,2.36,1.63,0.73,136.49999999999997,3.5,7,4,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.8,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VOs2O4,VOs2O4,bimetallic_oxide,2,"O, Os, V",-3.23,0.346,1.36,0.248,0.193,excellent,3,0.5714285714285714,0.4285714285714286,3,29.57142857142857,2.827142857142857,99.42857142857144,12.142857142857142,3.4285714285714284,2.142857142857143,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.66666666666666,4.999999999999999,9,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2OsO4,V2OsO4,bimetallic_oxide,2,"O, Os, V",-2.9,0.05,1.05,0.339,0.414,good,2,0.5714285714285714,0.4285714285714286,3,22.0,2.7457142857142856,99.28571428571428,11.714285714285714,3.142857142857143,1.7142857142857142,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.33333333333331,4.0,9,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,53.3,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VOsO2,VOsO2,bimetallic_oxide,2,"O, Os, V",-2.53,0.01,1.19,0.357,0.38,good,2,0.5,0.5,3,28.75,2.6775,103.75,11.25,3.5,2.25,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.5,4.5,9,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.8,31.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VOsO3,VOsO3,bimetallic_oxide,2,"O, Os, V",-3.17,0.062,0.75,0.386,0.33,good,2,0.6,0.4,3,24.6,2.83,97.6,12.2,3.2,1.8000000000000005,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.5,4.500000000000001,9,6,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,18.7,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VOsO4,VOsO4,bimetallic_oxide,2,"O, Os, V",-3.04,0.111,1.23,0.194,0.26,good,2,0.6666666666666666,0.3333333333333333,3,21.83333333333333,2.931666666666666,93.5,12.833333333333332,3.0,1.5,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.49999999999997,4.499999999999999,9,6,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,53.7,23.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPt2O4,VPt2O4,bimetallic_oxide,2,"O, Pt, V",-3.39,0.022,1.4,0.232,0.228,excellent,3,0.5714285714285714,0.4285714285714286,3,30.142857142857142,2.85,100.57142857142856,12.714285714285714,3.4285714285714284,3.0,3.44,1.63,1.81,139,73,66,78,8,2.28,1.63,0.6499999999999999,137.33333333333331,6.999999999999999,12,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.9,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2PtO4,V2PtO4,bimetallic_oxide,2,"O, Pt, V",-3.3,0.038,1.84,0.173,0.239,excellent,3,0.5714285714285714,0.4285714285714286,3,22.285714285714285,2.7571428571428567,99.85714285714286,12.0,3.142857142857143,2.142857142857143,3.44,1.63,1.81,139,73,66,78,8,2.28,1.63,0.6499999999999999,135.66666666666666,4.999999999999999,12,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,20.2,17.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPtO2,VPtO2,bimetallic_oxide,2,"O, Pt, V",-2.55,0.0,1.05,0.359,0.251,good,2,0.5,0.5,3,29.25,2.6975,104.75,11.75,3.5,3.0,3.44,1.63,1.81,139,73,66,78,8,2.28,1.63,0.6499999999999999,136.5,6.0,12,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,44.1,11.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPtO3,VPtO3,bimetallic_oxide,2,"O, Pt, V",-2.98,0.446,1.36,0.299,0.253,good,2,0.6,0.4,3,25.0,2.846,98.4,12.6,3.2,2.4000000000000004,3.44,1.63,1.81,139,73,66,78,8,2.28,1.63,0.6499999999999999,136.5,6.0,12,9,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,53.2,42.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VPtO4,VPtO4,bimetallic_oxide,2,"O, Pt, V",-3.02,0.116,0.72,0.32,0.246,good,2,0.6666666666666666,0.3333333333333333,3,22.166666666666664,2.9449999999999994,94.16666666666666,13.166666666666666,3.0,2.0,3.44,1.63,1.81,139,73,66,78,8,2.28,1.63,0.6499999999999999,136.49999999999997,5.999999999999999,12,9,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,28.3,28.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VAl2O4,VAl2O4,bimetallic_oxide,2,"Al, O, V",-2.57,0.209,2.38,0.304,0.294,excellent,3,0.5714285714285714,0.4285714285714286,3,11.571428571428571,2.6585714285714284,94.57142857142856,13.571428571428571,2.571428571428571,0.4285714285714285,3.44,1.61,1.83,134,73,61,23,8,1.63,1.61,0.0199999999999997,123.33333333333331,1.0,3,3,0.4285714285714285,0.0,0.0,0.2857142857142857,0,0,0.0,True,False,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,53.2,22.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2AlO4,V2AlO4,bimetallic_oxide,2,"Al, O, V",-2.53,0.445,3.06,0.315,0.292,excellent,3,0.5714285714285714,0.4285714285714286,3,13.0,2.661428571428571,96.85714285714286,12.428571428571429,2.714285714285714,0.8571428571428571,3.44,1.61,1.83,134,73,61,23,8,1.63,1.61,0.0199999999999997,128.66666666666666,2.0,3,3,0.4285714285714285,0.0,0.0,0.1428571428571428,0,0,0.0,True,False,False,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,30.1,28.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VAlO2,VAlO2,bimetallic_oxide,2,"Al, O, V",-1.75,0.124,3.63,0.263,0.304,good,2,0.5,0.5,3,13.0,2.53,99.5,12.5,2.75,0.75,3.44,1.61,1.83,134,73,61,23,8,1.63,1.61,0.0199999999999997,126.0,1.5,3,3,0.5,0.0,0.0,0.25,0,0,0.0,True,False,False,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,35.2,44.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VAlO3,VAlO3,bimetallic_oxide,2,"Al, O, V",-2.8,0.009,2.38,0.275,0.236,excellent,3,0.6,0.4,3,12.0,2.712,94.2,13.2,2.6,0.6000000000000001,3.44,1.61,1.83,134,73,61,23,8,1.63,1.61,0.0199999999999997,126.0,1.5000000000000002,3,3,0.4,0.0,0.0,0.2,0,0,0.0,True,False,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.4,38.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VAlO4,VAlO4,bimetallic_oxide,2,"Al, O, V",-2.3,0.437,3.39,0.173,0.352,excellent,3,0.6666666666666666,0.3333333333333333,3,11.333333333333332,2.833333333333333,90.66666666666666,13.666666666666666,2.5,0.5,3.44,1.61,1.83,134,73,61,23,8,1.63,1.61,0.0199999999999997,125.99999999999996,1.4999999999999998,3,3,0.3333333333333333,0.0,0.0,0.1666666666666666,0,0,0.0,True,False,False,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.8,43.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VBi2O4,VBi2O4,bimetallic_oxide,2,"Bi, O, V",-2.97,0.035,1.41,0.259,0.263,good,2,0.5714285714285714,0.4285714285714286,3,31.57142857142857,2.7757142857142854,101.71428571428572,14.142857142857142,3.4285714285714284,3.285714285714285,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,139.99999999999997,7.666666666666665,13,10,0.1428571428571428,0.0,0.2857142857142857,0.2857142857142857,0,0,0.0,True,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,71.2,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2BiO4,V2BiO4,bimetallic_oxide,2,"Bi, O, V",-2.89,0.243,1.03,0.25,0.237,good,2,0.5714285714285714,0.4285714285714286,3,23.0,2.72,100.42857142857144,12.714285714285714,3.142857142857143,2.2857142857142856,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,137.0,5.333333333333332,13,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,59.0,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VBiO2,VBiO2,bimetallic_oxide,2,"Bi, O, V",-3.11,0.507,1.05,0.371,0.344,good,2,0.5,0.5,3,30.5,2.6325,105.75,13.0,3.5,3.25,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,138.5,6.5,13,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,60.7,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VBiO3,VBiO3,bimetallic_oxide,2,"Bi, O, V",-2.94,0.121,0.94,0.301,0.198,good,2,0.6,0.4,3,26.0,2.794,99.2,13.6,3.2,2.6,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,138.5,6.5,13,10,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,26.5,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VBiO4,VBiO4,bimetallic_oxide,2,"Bi, O, V",-2.66,0.646,1.01,0.22,0.276,good,2,0.6666666666666666,0.3333333333333333,3,23.0,2.9016666666666664,94.83333333333331,14.0,3.0,2.1666666666666665,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,138.49999999999997,6.499999999999999,13,10,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,63.0,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCe2O4,VCe2O4,bimetallic_oxide,2,"Ce, O, V",-2.72,0.122,1.61,0.289,0.466,good,2,0.5714285714285714,0.4285714285714286,3,24.428571428571427,2.518571428571428,112.85714285714286,10.714285714285714,3.4285714285714284,0.7142857142857142,3.44,1.12,2.32,182,73,109,58,8,1.63,1.12,0.5099999999999998,166.0,1.6666666666666663,4,3,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,36.7,18.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_V2CeO4,V2CeO4,bimetallic_oxide,2,"Ce, O, V",-2.44,0.1,2.13,0.375,0.245,good,2,0.5714285714285714,0.4285714285714286,3,19.428571428571427,2.591428571428571,106.0,11.0,3.142857142857143,1.0,3.44,1.12,2.32,182,73,109,58,8,1.63,1.12,0.5099999999999998,150.0,2.333333333333333,4,3,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,28.1,38.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCeO2,VCeO2,bimetallic_oxide,2,"Ce, O, V",-3.16,0.163,2.18,0.413,0.341,excellent,3,0.5,0.5,3,24.25,2.4075,115.5,10.0,3.5,1.0,3.44,1.12,2.32,182,73,109,58,8,1.63,1.12,0.5099999999999998,158.0,2.0,4,3,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,49.3,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCeO3,VCeO3,bimetallic_oxide,2,"Ce, O, V",-2.87,0.066,2.21,0.171,0.448,excellent,3,0.6,0.4,3,21.0,2.614,107.0,11.2,3.2,0.8,3.44,1.12,2.32,182,73,109,58,8,1.63,1.12,0.5099999999999998,158.0,2.0,4,3,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,40.0,28.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_VCeO4,VCeO4,bimetallic_oxide,2,"Ce, O, V",-2.96,0.2,2.02,0.252,0.412,excellent,3,0.6666666666666666,0.3333333333333333,3,18.83333333333333,2.7516666666666665,101.33333333333331,12.0,3.0,0.6666666666666666,3.44,1.12,2.32,182,73,109,58,8,1.63,1.12,0.5099999999999998,157.99999999999997,2.0,4,3,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,False,True,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,48.8,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrFe2O4,CrFe2O4,bimetallic_oxide,2,"Cr, Fe, O",-2.09,0.081,1.0,0.319,0.305,good,2,0.5714285714285714,0.4285714285714286,3,15.428571428571429,2.725714285714285,96.0,12.285714285714285,2.8571428571428568,2.4285714285714284,3.44,1.66,1.78,128,73,55,26,8,1.83,1.66,0.1700000000000001,126.66666666666666,5.666666666666666,11,6,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.9,52.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2FeO4,Cr2FeO4,bimetallic_oxide,2,"Cr, Fe, O",-2.05,0.095,1.65,0.278,0.229,good,2,0.5714285714285714,0.4285714285714286,3,15.142857142857142,2.701428571428571,96.28571428571428,12.0,2.8571428571428568,2.2857142857142856,3.44,1.66,1.78,128,73,55,26,8,1.83,1.66,0.1700000000000001,127.33333333333331,5.333333333333332,11,6,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.4,47.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrFeO2,CrFeO2,bimetallic_oxide,2,"Cr, Fe, O",-2.48,0.004,0.9,0.33,0.301,good,2,0.5,0.5,3,16.5,2.5925,100.0,11.5,3.0,2.75,3.44,1.66,1.78,128,73,55,26,8,1.83,1.66,0.1700000000000001,127.0,5.5,11,6,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,19.8,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrFeO3,CrFeO3,bimetallic_oxide,2,"Cr, Fe, O",-2.93,0.55,1.01,0.339,0.309,good,2,0.6,0.4,3,14.8,2.762,94.6,12.4,2.8,2.2,3.44,1.66,1.78,128,73,55,26,8,1.83,1.66,0.1700000000000001,127.0,5.5,11,6,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,61.9,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrFeO4,CrFeO4,bimetallic_oxide,2,"Cr, Fe, O",-3.08,0.217,1.33,0.36,0.295,good,2,0.6666666666666666,0.3333333333333333,3,13.666666666666666,2.875,91.0,13.0,2.6666666666666665,1.8333333333333333,3.44,1.66,1.78,128,73,55,26,8,1.83,1.66,0.1700000000000001,127.0,5.499999999999999,11,6,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,46.8,43.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNi2O4,CrNi2O4,bimetallic_oxide,2,"Cr, Ni, O",-2.02,0.009,0.85,0.468,0.292,good,2,0.5714285714285714,0.4285714285714286,3,16.0,2.748571428571428,95.42857142857142,12.857142857142856,2.8571428571428568,3.0,3.44,1.66,1.78,128,73,55,28,8,1.91,1.66,0.25,125.33333333333331,6.999999999999999,13,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,10.7,52.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2NiO4,Cr2NiO4,bimetallic_oxide,2,"Cr, Ni, O",-2.49,0.09,0.56,0.437,0.386,good,2,0.5714285714285714,0.4285714285714286,3,15.428571428571429,2.712857142857142,96.0,12.285714285714285,2.8571428571428568,2.571428571428571,3.44,1.66,1.78,128,73,55,28,8,1.91,1.66,0.25,126.66666666666666,5.999999999999999,13,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.7,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNiO2,CrNiO2,bimetallic_oxide,2,"Cr, Ni, O",-2.58,0.116,0.77,0.326,0.292,good,2,0.5,0.5,3,17.0,2.6125,99.5,12.0,3.0,3.25,3.44,1.66,1.78,128,73,55,28,8,1.91,1.66,0.25,126.0,6.5,13,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.1,18.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNiO3,CrNiO3,bimetallic_oxide,2,"Cr, Ni, O",-3.33,0.414,1.36,0.25,0.245,excellent,3,0.6,0.4,3,15.2,2.778,94.2,12.8,2.8,2.6,3.44,1.66,1.78,128,73,55,28,8,1.91,1.66,0.25,126.0,6.5,13,8,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.8,31.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNiO4,CrNiO4,bimetallic_oxide,2,"Cr, Ni, O",-2.37,0.148,1.07,0.336,0.182,good,2,0.6666666666666666,0.3333333333333333,3,14.0,2.8883333333333328,90.66666666666666,13.333333333333332,2.6666666666666665,2.1666666666666665,3.44,1.66,1.78,128,73,55,28,8,1.91,1.66,0.25,125.99999999999996,6.499999999999999,13,8,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.1,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrZn2O4,CrZn2O4,bimetallic_oxide,2,"Cr, O, Zn",-2.92,0.09,1.26,0.289,0.272,good,2,0.5714285714285714,0.4285714285714286,3,16.57142857142857,2.674285714285714,98.28571428571428,13.428571428571429,2.8571428571428568,3.571428571428571,3.44,1.65,1.79,134,73,61,30,8,1.66,1.65,0.01,132.0,8.333333333333332,15,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.0,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2ZnO4,Cr2ZnO4,bimetallic_oxide,2,"Cr, O, Zn",-2.74,0.276,1.22,0.173,0.291,good,2,0.5714285714285714,0.4285714285714286,3,15.714285714285714,2.6757142857142853,97.42857142857144,12.571428571428571,2.8571428571428568,2.8571428571428568,3.44,1.65,1.79,134,73,61,30,8,1.66,1.65,0.01,130.0,6.666666666666665,15,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.5,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrZnO2,CrZnO2,bimetallic_oxide,2,"Cr, O, Zn",-3.2,0.136,1.27,0.433,0.271,excellent,3,0.5,0.5,3,17.5,2.5475,102.0,12.5,3.0,3.75,3.44,1.65,1.79,134,73,61,30,8,1.66,1.65,0.01,131.0,7.5,15,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.3,8.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrZnO3,CrZnO3,bimetallic_oxide,2,"Cr, O, Zn",-2.54,0.259,1.23,0.223,0.208,good,2,0.6,0.4,3,15.6,2.726,96.2,13.2,2.8,3.0,3.44,1.65,1.79,134,73,61,30,8,1.66,1.65,0.01,131.0,7.5,15,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.0,18.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrZnO4,CrZnO4,bimetallic_oxide,2,"Cr, O, Zn",-2.58,0.005,0.51,0.334,0.386,good,2,0.6666666666666666,0.3333333333333333,3,14.333333333333332,2.845,92.33333333333331,13.666666666666666,2.6666666666666665,2.5,3.44,1.65,1.79,134,73,61,30,8,1.66,1.65,0.01,130.99999999999997,7.499999999999998,15,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.8,48.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNb2O4,CrNb2O4,bimetallic_oxide,2,"Cr, Nb, O",-2.86,0.145,1.12,0.23,0.329,good,2,0.5714285714285714,0.4285714285714286,3,19.71428571428571,2.66,101.71428571428572,11.428571428571429,3.1428571428571423,1.857142857142857,3.44,1.6,1.84,146,73,73,41,8,1.66,1.6,0.0599999999999998,140.0,4.333333333333333,9,5,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,17.8,66.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2NbO4,Cr2NbO4,bimetallic_oxide,2,"Cr, Nb, O",-3.23,0.006,1.27,0.272,0.424,excellent,3,0.5714285714285714,0.4285714285714286,3,17.285714285714285,2.668571428571428,99.14285714285714,11.571428571428571,3.0,2.0,3.44,1.6,1.84,146,73,73,41,8,1.66,1.6,0.0599999999999998,134.0,4.666666666666666,9,5,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.8,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNbO2,CrNbO2,bimetallic_oxide,2,"Cr, Nb, O",-2.34,0.077,1.17,0.191,0.227,good,2,0.5,0.5,3,20.25,2.535,105.0,10.75,3.25,2.25,3.44,1.6,1.84,146,73,73,41,8,1.66,1.6,0.0599999999999998,137.0,4.5,9,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,22.7,23.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNbO3,CrNbO3,bimetallic_oxide,2,"Cr, Nb, O",-2.4,0.104,1.83,0.293,0.231,good,2,0.6,0.4,3,17.8,2.716,98.6,11.8,3.0,1.8,3.44,1.6,1.84,146,73,73,41,8,1.66,1.6,0.0599999999999998,137.0,4.5,9,5,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,20.4,43.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrNbO4,CrNbO4,bimetallic_oxide,2,"Cr, Nb, O",-2.88,0.268,1.44,0.31,0.205,good,2,0.6666666666666666,0.3333333333333333,3,16.166666666666664,2.8366666666666664,94.33333333333331,12.5,2.833333333333333,1.5,3.44,1.6,1.84,146,73,73,41,8,1.66,1.6,0.0599999999999998,136.99999999999997,4.499999999999999,9,5,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,53.2,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrRu2O4,CrRu2O4,bimetallic_oxide,2,"Cr, O, Ru",-3.0,0.002,0.6,0.455,0.337,good,2,0.5714285714285714,0.4285714285714286,3,20.57142857142857,2.8314285714285714,98.28571428571428,12.285714285714285,3.1428571428571423,2.7142857142857144,3.44,1.66,1.78,134,73,61,44,8,2.2,1.66,0.5400000000000003,132.0,6.333333333333332,12,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,49.8,60.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2RuO4,Cr2RuO4,bimetallic_oxide,2,"Cr, O, Ru",-3.13,0.153,1.09,0.287,0.251,good,2,0.5714285714285714,0.4285714285714286,3,17.714285714285715,2.754285714285714,97.42857142857144,12.0,3.0,2.4285714285714284,3.44,1.66,1.78,134,73,61,44,8,2.2,1.66,0.5400000000000003,130.0,5.666666666666666,12,7,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.8,9.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrRuO2,CrRuO2,bimetallic_oxide,2,"Cr, O, Ru",-2.77,0.031,0.9,0.305,0.351,good,2,0.5,0.5,3,21.0,2.685,102.0,11.5,3.25,3.0,3.44,1.66,1.78,134,73,61,44,8,2.2,1.66,0.5400000000000003,131.0,6.0,12,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,77.5,38.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrRuO3,CrRuO3,bimetallic_oxide,2,"Cr, O, Ru",-2.99,0.012,1.23,0.322,0.335,good,2,0.6,0.4,3,18.4,2.8360000000000003,96.2,12.4,3.0,2.4000000000000004,3.44,1.66,1.78,134,73,61,44,8,2.2,1.66,0.5400000000000003,131.0,6.0,12,7,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.8,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrRuO4,CrRuO4,bimetallic_oxide,2,"Cr, O, Ru",-2.71,0.26,1.21,0.359,0.282,good,2,0.6666666666666666,0.3333333333333333,3,16.666666666666664,2.9366666666666665,92.33333333333331,13.0,2.833333333333333,2.0,3.44,1.66,1.78,134,73,61,44,8,2.2,1.66,0.5400000000000003,130.99999999999997,5.999999999999998,12,7,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.7,25.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPd2O4,CrPd2O4,bimetallic_oxide,2,"Cr, O, Pd",-2.15,0.442,0.81,0.222,0.322,good,2,0.5714285714285714,0.4285714285714286,3,21.142857142857142,2.8314285714285714,99.14285714285714,12.857142857142856,3.1428571428571423,3.571428571428571,3.44,1.66,1.78,137,73,64,46,8,2.2,1.66,0.5400000000000003,133.99999999999997,8.333333333333332,15,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,49.2,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2PdO4,Cr2PdO4,bimetallic_oxide,2,"Cr, O, Pd",-2.79,0.075,0.96,0.252,0.346,good,2,0.5714285714285714,0.4285714285714286,3,18.0,2.754285714285714,97.85714285714286,12.285714285714285,3.0,2.8571428571428568,3.44,1.66,1.78,137,73,64,46,8,2.2,1.66,0.5400000000000003,131.0,6.666666666666665,15,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,31.4,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPdO2,CrPdO2,bimetallic_oxide,2,"Cr, O, Pd",-2.66,0.471,0.93,0.384,0.234,good,2,0.5,0.5,3,21.5,2.685,102.75,12.0,3.25,3.75,3.44,1.66,1.78,137,73,64,46,8,2.2,1.66,0.5400000000000003,132.5,7.5,15,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.4,42.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPdO3,CrPdO3,bimetallic_oxide,2,"Cr, O, Pd",-3.02,0.186,1.05,0.344,0.295,good,2,0.6,0.4,3,18.8,2.8360000000000003,96.8,12.8,3.0,3.0,3.44,1.66,1.78,137,73,64,46,8,2.2,1.66,0.5400000000000003,132.5,7.5,15,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,27.9,60.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPdO4,CrPdO4,bimetallic_oxide,2,"Cr, O, Pd",-2.63,0.11,1.28,0.262,0.309,good,2,0.6666666666666666,0.3333333333333333,3,17.0,2.9366666666666665,92.83333333333331,13.333333333333332,2.833333333333333,2.5,3.44,1.66,1.78,137,73,64,46,8,2.2,1.66,0.5400000000000003,132.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.7,8.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrHf2O4,CrHf2O4,bimetallic_oxide,2,"Cr, Hf, O",-2.28,0.299,1.39,0.361,0.445,good,2,0.5714285714285714,0.4285714285714286,3,28.57142857142857,2.5742857142857143,105.42857142857142,11.142857142857142,3.4285714285714284,1.2857142857142856,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,148.66666666666666,3.0,7,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.1,29.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2HfO4,Cr2HfO4,bimetallic_oxide,2,"Cr, Hf, O",-2.91,0.0,1.55,0.5,0.384,good,2,0.5714285714285714,0.4285714285714286,3,21.71428571428571,2.625714285714285,101.0,11.428571428571429,3.142857142857143,1.714285714285714,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,138.33333333333331,3.999999999999999,7,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,63.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrHfO2,CrHfO2,bimetallic_oxide,2,"Cr, Hf, O",-3.36,0.011,0.62,0.168,0.324,good,2,0.5,0.5,3,28.0,2.46,108.25,10.5,3.5,1.75,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,143.5,3.5,7,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.8,53.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrHfO3,CrHfO3,bimetallic_oxide,2,"Cr, Hf, O",-2.7,0.03,1.04,0.327,0.418,good,2,0.6,0.4,3,24.0,2.656,101.2,11.6,3.2,1.4,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,143.5,3.5,7,5,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,62.0,45.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrHfO4,CrHfO4,bimetallic_oxide,2,"Cr, Hf, O",-2.82,0.117,1.64,0.411,0.218,good,2,0.6666666666666666,0.3333333333333333,3,21.33333333333333,2.786666666666666,96.5,12.333333333333332,3.0,1.1666666666666663,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,143.49999999999997,3.5,7,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.4,49.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrW2O4,CrW2O4,bimetallic_oxide,2,"Cr, O, W",-2.71,0.209,1.13,0.294,0.2,good,2,0.5714285714285714,0.4285714285714286,3,29.142857142857142,2.877142857142857,99.71428571428572,11.714285714285714,3.4285714285714284,1.857142857142857,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,135.33333333333331,4.333333333333333,9,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.0,52.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2WO4,Cr2WO4,bimetallic_oxide,2,"Cr, O, W",-2.81,0.144,0.95,0.438,0.304,good,2,0.5714285714285714,0.4285714285714286,3,22.0,2.7771428571428567,98.14285714285714,11.714285714285714,3.142857142857143,2.0,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,131.66666666666666,4.666666666666666,9,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,21.0,8.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrWO2,CrWO2,bimetallic_oxide,2,"Cr, O, W",-2.05,0.033,0.62,0.455,0.243,good,2,0.5,0.5,3,28.5,2.725,103.25,11.0,3.5,2.25,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,133.5,4.5,9,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.3,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrWO3,CrWO3,bimetallic_oxide,2,"Cr, O, W",-2.88,0.336,1.16,0.253,0.258,good,2,0.6,0.4,3,24.4,2.868,97.2,12.0,3.2,1.8,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,133.5,4.5,9,5,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,48.6,19.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrWO4,CrWO4,bimetallic_oxide,2,"Cr, O, W",-2.38,0.081,1.5,0.192,0.375,good,2,0.6666666666666666,0.3333333333333333,3,21.666666666666664,2.963333333333333,93.16666666666666,12.666666666666666,3.0,1.5,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,133.49999999999997,4.499999999999999,9,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,45.0,59.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrOs2O4,CrOs2O4,bimetallic_oxide,2,"Cr, O, Os",-3.49,0.115,0.43,0.355,0.173,good,2,0.5714285714285714,0.4285714285714286,3,29.71428571428571,2.8314285714285714,98.57142857142856,12.285714285714285,3.4285714285714284,2.4285714285714284,3.44,1.66,1.78,135,73,62,76,8,2.2,1.66,0.5400000000000003,132.66666666666666,5.666666666666666,11,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.1,18.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2OsO4,Cr2OsO4,bimetallic_oxide,2,"Cr, O, Os",-2.6,0.035,1.58,0.281,0.263,good,2,0.5714285714285714,0.4285714285714286,3,22.285714285714285,2.754285714285714,97.57142857142856,12.0,3.142857142857143,2.2857142857142856,3.44,1.66,1.78,135,73,62,76,8,2.2,1.66,0.5400000000000003,130.33333333333331,5.333333333333332,11,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,73.3,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrOsO2,CrOsO2,bimetallic_oxide,2,"Cr, O, Os",-2.36,0.072,1.05,0.34,0.15,good,2,0.5,0.5,3,29.0,2.685,102.25,11.5,3.5,2.75,3.44,1.66,1.78,135,73,62,76,8,2.2,1.66,0.5400000000000003,131.5,5.5,11,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.6,55.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrOsO3,CrOsO3,bimetallic_oxide,2,"Cr, O, Os",-2.65,0.0,0.8,0.214,0.275,good,2,0.6,0.4,3,24.8,2.8360000000000003,96.4,12.4,3.2,2.2,3.44,1.66,1.78,135,73,62,76,8,2.2,1.66,0.5400000000000003,131.5,5.5,11,6,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,32.6,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrOsO4,CrOsO4,bimetallic_oxide,2,"Cr, O, Os",-1.86,0.11,0.5,0.453,0.286,good,2,0.6666666666666666,0.3333333333333333,3,22.0,2.9366666666666665,92.5,13.0,3.0,1.8333333333333333,3.44,1.66,1.78,135,73,62,76,8,2.2,1.66,0.5400000000000003,131.49999999999997,5.499999999999999,11,6,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,19.4,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPt2O4,CrPt2O4,bimetallic_oxide,2,"Cr, O, Pt",-3.36,0.008,1.14,0.328,0.424,excellent,3,0.5714285714285714,0.4285714285714286,3,30.285714285714285,2.854285714285714,99.71428571428572,12.857142857142856,3.4285714285714284,3.2857142857142856,3.44,1.66,1.78,139,73,66,78,8,2.28,1.66,0.6199999999999999,135.33333333333331,7.666666666666665,14,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,61.1,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2PtO4,Cr2PtO4,bimetallic_oxide,2,"Cr, O, Pt",-2.81,0.15,0.75,0.405,0.291,good,2,0.5714285714285714,0.4285714285714286,3,22.57142857142857,2.7657142857142856,98.14285714285714,12.285714285714285,3.142857142857143,2.714285714285714,3.44,1.66,1.78,139,73,66,78,8,2.28,1.66,0.6199999999999999,131.66666666666666,6.333333333333332,14,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,22.2,39.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPtO2,CrPtO2,bimetallic_oxide,2,"Cr, O, Pt",-3.05,0.194,1.01,0.327,0.211,good,2,0.5,0.5,3,29.5,2.705,103.25,12.0,3.5,3.5,3.44,1.66,1.78,139,73,66,78,8,2.28,1.66,0.6199999999999999,133.5,7.0,14,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.7,8.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPtO3,CrPtO3,bimetallic_oxide,2,"Cr, O, Pt",-2.1,0.034,0.7,0.226,0.24,good,2,0.6,0.4,3,25.200000000000003,2.852,97.2,12.8,3.2,2.8,3.44,1.66,1.78,139,73,66,78,8,2.28,1.66,0.6199999999999999,133.5,7.0,14,9,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.6,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrPtO4,CrPtO4,bimetallic_oxide,2,"Cr, O, Pt",-2.61,0.071,0.74,0.306,0.278,good,2,0.6666666666666666,0.3333333333333333,3,22.33333333333333,2.95,93.16666666666666,13.333333333333332,3.0,2.333333333333333,3.44,1.66,1.78,139,73,66,78,8,2.28,1.66,0.6199999999999999,133.49999999999997,6.999999999999998,14,9,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.0,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrAl2O4,CrAl2O4,bimetallic_oxide,2,"Al, Cr, O",-2.07,0.085,3.36,0.284,0.317,good,2,0.5714285714285714,0.4285714285714286,3,11.714285714285714,2.662857142857143,93.71428571428572,13.714285714285714,2.571428571428571,0.7142857142857142,3.44,1.61,1.83,128,73,55,24,8,1.66,1.61,0.0499999999999998,121.33333333333331,1.6666666666666663,5,5,0.4285714285714285,0.0,0.0,0.2857142857142857,0,0,0.0,True,False,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,64.5,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2AlO4,Cr2AlO4,bimetallic_oxide,2,"Al, Cr, O",-2.49,0.051,2.33,0.421,0.221,good,2,0.5714285714285714,0.4285714285714286,3,13.285714285714285,2.67,95.14285714285714,12.714285714285714,2.714285714285714,1.4285714285714284,3.44,1.61,1.83,128,73,55,24,8,1.66,1.61,0.0499999999999998,124.66666666666666,3.3333333333333326,5,5,0.4285714285714285,0.0,0.0,0.1428571428571428,0,0,0.0,True,False,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,24.9,23.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrAlO2,CrAlO2,bimetallic_oxide,2,"Al, Cr, O",-2.76,0.003,2.01,0.345,0.329,excellent,3,0.5,0.5,3,13.25,2.5375,98.0,12.75,2.75,1.25,3.44,1.61,1.83,128,73,55,24,8,1.66,1.61,0.0499999999999998,123.0,2.5,5,5,0.5,0.0,0.0,0.25,0,0,0.0,True,False,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.3,13.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrAlO3,CrAlO3,bimetallic_oxide,2,"Al, Cr, O",-2.23,0.037,2.54,0.257,0.345,good,2,0.6,0.4,3,12.2,2.718,93.0,13.4,2.6,1.0,3.44,1.61,1.83,128,73,55,24,8,1.66,1.61,0.0499999999999998,123.0,2.5,5,5,0.4,0.0,0.0,0.2,0,0,0.0,True,False,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,21.9,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrAlO4,CrAlO4,bimetallic_oxide,2,"Al, Cr, O",-2.46,0.03,2.38,0.456,0.381,good,2,0.6666666666666666,0.3333333333333333,3,11.5,2.838333333333333,89.66666666666666,13.833333333333332,2.5,0.8333333333333333,3.44,1.61,1.83,128,73,55,24,8,1.66,1.61,0.0499999999999998,122.99999999999996,2.5,5,5,0.3333333333333333,0.0,0.0,0.1666666666666666,0,0,0.0,True,False,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrBi2O4,CrBi2O4,bimetallic_oxide,2,"Bi, Cr, O",-3.12,0.253,0.91,0.397,0.225,good,2,0.5714285714285714,0.4285714285714286,3,31.71428571428571,2.78,100.85714285714286,14.285714285714285,3.4285714285714284,3.571428571428571,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,137.99999999999997,8.333333333333332,15,10,0.1428571428571428,0.0,0.2857142857142857,0.2857142857142857,0,0,0.0,True,False,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,29.8,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2BiO4,Cr2BiO4,bimetallic_oxide,2,"Bi, Cr, O",-3.23,0.013,1.14,0.191,0.184,excellent,3,0.5714285714285714,0.4285714285714286,3,23.285714285714285,2.728571428571428,98.71428571428572,13.0,3.142857142857143,2.8571428571428568,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,133.0,6.666666666666665,15,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,54.6,32.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrBiO2,CrBiO2,bimetallic_oxide,2,"Bi, Cr, O",-3.47,0.152,1.0,0.365,0.294,excellent,3,0.5,0.5,3,30.75,2.64,104.25,13.25,3.5,3.75,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,135.5,7.5,15,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,55.7,50.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrBiO3,CrBiO3,bimetallic_oxide,2,"Bi, Cr, O",-1.95,0.338,1.25,0.314,0.267,good,2,0.6,0.4,3,26.200000000000003,2.8000000000000003,98.0,13.8,3.2,3.0,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,135.5,7.5,15,10,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,39.5,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrBiO4,CrBiO4,bimetallic_oxide,2,"Bi, Cr, O",-3.04,0.017,0.79,0.19,0.215,good,2,0.6666666666666666,0.3333333333333333,3,23.166666666666664,2.9066666666666663,93.83333333333331,14.166666666666666,3.0,2.5,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,135.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrCe2O4,CrCe2O4,bimetallic_oxide,2,"Ce, Cr, O",-2.58,0.494,1.95,0.319,0.43,good,2,0.5714285714285714,0.4285714285714286,3,24.57142857142857,2.5228571428571427,112.0,10.857142857142856,3.4285714285714284,1.0,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,164.0,2.333333333333333,6,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,41.5,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cr2CeO4,Cr2CeO4,bimetallic_oxide,2,"Ce, Cr, O",-2.65,0.092,1.94,0.25,0.298,good,2,0.5714285714285714,0.4285714285714286,3,19.71428571428571,2.6,104.28571428571428,11.285714285714285,3.142857142857143,1.5714285714285712,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,146.0,3.666666666666666,6,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,58.0,38.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrCeO2,CrCeO2,bimetallic_oxide,2,"Ce, Cr, O",-2.79,0.059,2.28,0.34,0.244,excellent,3,0.5,0.5,3,24.5,2.415,114.0,10.25,3.5,1.5,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,155.0,3.0,6,5,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,17.1,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrCeO3,CrCeO3,bimetallic_oxide,2,"Ce, Cr, O",-2.92,0.198,1.95,0.51,0.45,excellent,3,0.6,0.4,3,21.200000000000003,2.62,105.8,11.4,3.2,1.2,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,155.0,3.0,6,5,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,53.7,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CrCeO4,CrCeO4,bimetallic_oxide,2,"Ce, Cr, O",-1.7,0.076,2.28,0.239,0.402,good,2,0.6666666666666666,0.3333333333333333,3,19.0,2.7566666666666664,100.33333333333331,12.166666666666666,3.0,1.0,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,154.99999999999997,3.0,6,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,58.5,38.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCo2O4,MnCo2O4,bimetallic_oxide,2,"Co, Mn, O",-2.48,0.428,0.88,0.31,0.319,good,2,0.5714285714285714,0.4285714285714286,3,15.857142857142856,2.724285714285714,95.57142857142856,12.714285714285714,2.8571428571428568,2.7142857142857144,3.44,1.55,1.89,127,73,54,27,8,1.88,1.55,0.3299999999999998,125.66666666666666,6.333333333333332,12,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.5,32.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2CoO4,Mn2CoO4,bimetallic_oxide,2,"Co, Mn, O",-2.73,0.429,1.3,0.217,0.209,good,2,0.5714285714285714,0.4285714285714286,3,15.57142857142857,2.677142857142857,95.85714285714286,12.428571428571429,2.8571428571428568,2.4285714285714284,3.44,1.55,1.89,127,73,54,27,8,1.88,1.55,0.3299999999999998,126.33333333333331,5.666666666666666,12,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,70.1,29.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCoO2,MnCoO2,bimetallic_oxide,2,"Co, Mn, O",-3.02,0.035,1.48,0.232,0.244,excellent,3,0.5,0.5,3,17.0,2.5775,99.5,12.0,3.0,3.0,3.44,1.55,1.89,127,73,54,27,8,1.88,1.55,0.3299999999999998,126.0,6.0,12,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.1,22.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCoO3,MnCoO3,bimetallic_oxide,2,"Co, Mn, O",-2.0,0.079,1.42,0.275,0.326,good,2,0.6,0.4,3,15.2,2.75,94.2,12.8,2.8,2.4000000000000004,3.44,1.55,1.89,127,73,54,27,8,1.88,1.55,0.3299999999999998,126.0,6.0,12,7,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,54.4,18.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCoO4,MnCoO4,bimetallic_oxide,2,"Co, Mn, O",-2.65,0.092,1.65,0.362,0.314,good,2,0.6666666666666666,0.3333333333333333,3,14.0,2.865,90.66666666666666,13.333333333333332,2.6666666666666665,2.0,3.44,1.55,1.89,127,73,54,27,8,1.88,1.55,0.3299999999999998,125.99999999999996,5.999999999999998,12,7,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.2,12.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCu2O4,MnCu2O4,bimetallic_oxide,2,"Cu, Mn, O",-3.1,0.139,0.39,0.231,0.192,good,2,0.5714285714285714,0.4285714285714286,3,16.428571428571427,2.7299999999999995,96.42857142857144,13.285714285714285,2.8571428571428568,3.571428571428571,3.44,1.55,1.89,128,73,55,29,8,1.9,1.55,0.3499999999999998,127.66666666666666,8.333333333333332,15,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,38.2,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2CuO4,Mn2CuO4,bimetallic_oxide,2,"Cu, Mn, O",-2.81,0.408,0.82,0.248,0.254,good,2,0.5714285714285714,0.4285714285714286,3,15.857142857142856,2.68,96.28571428571428,12.714285714285714,2.8571428571428568,2.8571428571428568,3.44,1.55,1.89,128,73,55,29,8,1.9,1.55,0.3499999999999998,127.33333333333331,6.666666666666665,15,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,51.6,50.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCuO2,MnCuO2,bimetallic_oxide,2,"Cu, Mn, O",-2.64,0.036,0.97,0.359,0.206,good,2,0.5,0.5,3,17.5,2.5825,100.25,12.5,3.0,3.75,3.44,1.55,1.89,128,73,55,29,8,1.9,1.55,0.3499999999999998,127.5,7.5,15,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.6,42.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCuO3,MnCuO3,bimetallic_oxide,2,"Cu, Mn, O",-2.05,0.268,0.82,0.248,0.3,good,2,0.6,0.4,3,15.6,2.754,94.8,13.2,2.8,3.0,3.44,1.55,1.89,128,73,55,29,8,1.9,1.55,0.3499999999999998,127.5,7.5,15,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,26.7,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnCuO4,MnCuO4,bimetallic_oxide,2,"Cu, Mn, O",-2.73,0.013,1.41,0.398,0.321,good,2,0.6666666666666666,0.3333333333333333,3,14.333333333333332,2.868333333333333,91.16666666666666,13.666666666666666,2.6666666666666665,2.5,3.44,1.55,1.89,128,73,55,29,8,1.9,1.55,0.3499999999999998,127.49999999999996,7.499999999999998,15,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,71.4,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnZr2O4,MnZr2O4,bimetallic_oxide,2,"Mn, O, Zr",-2.65,0.087,1.43,0.423,0.291,good,2,0.5714285714285714,0.4285714285714286,3,19.57142857142857,2.5671428571428567,105.57142857142856,11.285714285714285,3.1428571428571423,1.2857142857142856,3.44,1.33,2.11,160,73,87,40,8,1.55,1.33,0.2199999999999999,148.99999999999997,3.0,7,5,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,64.8,34.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2ZrO4,Mn2ZrO4,bimetallic_oxide,2,"Mn, O, Zr",-2.55,0.2,1.48,0.389,0.285,good,2,0.5714285714285714,0.4285714285714286,3,17.428571428571427,2.5985714285714283,100.85714285714286,11.714285714285714,3.0,1.714285714285714,3.44,1.33,2.11,160,73,87,40,8,1.55,1.33,0.2199999999999999,137.99999999999997,3.999999999999999,7,5,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.1,8.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnZrO2,MnZrO2,bimetallic_oxide,2,"Mn, O, Zr",-2.64,0.127,1.99,0.287,0.237,good,2,0.5,0.5,3,20.25,2.44,108.25,10.75,3.25,1.75,3.44,1.33,2.11,160,73,87,40,8,1.55,1.33,0.2199999999999999,143.5,3.5,7,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,28.1,20.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnZrO3,MnZrO3,bimetallic_oxide,2,"Mn, O, Zr",-3.5,0.087,1.74,0.262,0.391,excellent,3,0.6,0.4,3,17.8,2.64,101.2,11.8,3.0,1.4,3.44,1.33,2.11,160,73,87,40,8,1.55,1.33,0.2199999999999999,143.5,3.5,7,5,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,53.6,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnZrO4,MnZrO4,bimetallic_oxide,2,"Mn, O, Zr",-2.77,0.222,2.43,0.59,0.316,excellent,3,0.6666666666666666,0.3333333333333333,3,16.166666666666664,2.773333333333333,96.5,12.5,2.833333333333333,1.1666666666666663,3.44,1.33,2.11,160,73,87,40,8,1.55,1.33,0.2199999999999999,143.49999999999997,3.5,7,5,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnMo2O4,MnMo2O4,bimetallic_oxide,2,"Mn, Mo, O",-2.81,0.064,0.52,0.272,0.27,good,2,0.5714285714285714,0.4285714285714286,3,20.142857142857142,2.8042857142857143,99.57142857142856,11.857142857142856,3.1428571428571423,2.1428571428571423,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,135.0,4.999999999999999,10,5,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,26.4,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2MoO4,Mn2MoO4,bimetallic_oxide,2,"Mn, Mo, O",-2.74,0.033,1.61,0.214,0.282,good,2,0.5714285714285714,0.4285714285714286,3,17.714285714285715,2.717142857142857,97.85714285714286,12.0,3.0,2.1428571428571423,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,131.0,4.999999999999999,10,5,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,73.0,26.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnMoO2,MnMoO2,bimetallic_oxide,2,"Mn, Mo, O",-2.63,0.007,1.24,0.222,0.24,good,2,0.5,0.5,3,20.75,2.6475,103.0,11.25,3.25,2.5,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,133.0,5.0,10,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,32.9,43.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnMoO3,MnMoO3,bimetallic_oxide,2,"Mn, Mo, O",-2.74,0.418,1.29,0.305,0.319,good,2,0.6,0.4,3,18.2,2.806,97.0,12.2,3.0,2.0,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,133.0,5.0,10,5,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,48.5,11.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnMoO4,MnMoO4,bimetallic_oxide,2,"Mn, Mo, O",-2.45,0.187,1.19,0.309,0.301,good,2,0.6666666666666666,0.3333333333333333,3,16.5,2.911666666666666,93.0,12.833333333333332,2.833333333333333,1.6666666666666663,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,132.99999999999997,4.999999999999999,10,5,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,58.9,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnRh2O4,MnRh2O4,bimetallic_oxide,2,"Mn, O, Rh",-2.7,0.194,0.77,0.134,0.334,good,2,0.5714285714285714,0.4285714285714286,3,21.0,2.838571428571428,98.14285714285714,12.714285714285714,3.1428571428571423,3.0,3.44,1.55,1.89,134,73,61,45,8,2.28,1.55,0.7299999999999998,131.66666666666666,6.999999999999999,13,8,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,52.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2RhO4,Mn2RhO4,bimetallic_oxide,2,"Mn, O, Rh",-2.87,0.267,0.84,0.273,0.317,good,2,0.5714285714285714,0.4285714285714286,3,18.142857142857142,2.734285714285714,97.14285714285714,12.428571428571429,3.0,2.571428571428571,3.44,1.55,1.89,134,73,61,45,8,2.28,1.55,0.7299999999999998,129.33333333333331,5.999999999999999,13,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,56.2,33.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnRhO2,MnRhO2,bimetallic_oxide,2,"Mn, O, Rh",-3.34,0.527,1.04,0.349,0.358,excellent,3,0.5,0.5,3,21.5,2.6775,101.75,12.0,3.25,3.25,3.44,1.55,1.89,134,73,61,45,8,2.28,1.55,0.7299999999999998,130.5,6.5,13,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,37.4,28.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnRhO3,MnRhO3,bimetallic_oxide,2,"Mn, O, Rh",-2.52,0.224,0.63,0.382,0.246,good,2,0.6,0.4,3,18.8,2.83,96.0,12.8,3.0,2.6,3.44,1.55,1.89,134,73,61,45,8,2.28,1.55,0.7299999999999998,130.5,6.5,13,8,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,54.5,48.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnRhO4,MnRhO4,bimetallic_oxide,2,"Mn, O, Rh",-2.35,0.148,1.75,0.251,0.212,good,2,0.6666666666666666,0.3333333333333333,3,17.0,2.931666666666666,92.16666666666666,13.333333333333332,2.833333333333333,2.1666666666666665,3.44,1.55,1.89,134,73,61,45,8,2.28,1.55,0.7299999999999998,130.49999999999997,6.499999999999999,13,8,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.4,48.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAg2O4,MnAg2O4,bimetallic_oxide,2,"Ag, Mn, O",-2.52,0.052,0.61,0.354,0.192,good,2,0.5714285714285714,0.4285714285714286,3,21.57142857142857,2.7385714285714284,101.0,13.285714285714285,3.1428571428571423,3.571428571428571,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,138.33333333333331,8.333333333333332,15,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,48.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2AgO4,Mn2AgO4,bimetallic_oxide,2,"Ag, Mn, O",-3.02,0.033,1.27,0.513,0.395,good,2,0.5714285714285714,0.4285714285714286,3,18.428571428571427,2.684285714285714,98.57142857142856,12.714285714285714,3.0,2.8571428571428568,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,132.66666666666666,6.666666666666665,15,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.0,31.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAgO2,MnAgO2,bimetallic_oxide,2,"Ag, Mn, O",-2.58,0.088,1.46,0.379,0.301,good,2,0.5,0.5,3,22.0,2.59,104.25,12.5,3.25,3.75,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,135.5,7.5,15,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.1,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAgO3,MnAgO3,bimetallic_oxide,2,"Ag, Mn, O",-2.45,0.188,1.21,0.313,0.283,good,2,0.6,0.4,3,19.2,2.76,98.0,13.2,3.0,3.0,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,135.5,7.5,15,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,32.4,24.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAgO4,MnAgO4,bimetallic_oxide,2,"Ag, Mn, O",-2.01,0.473,1.03,0.287,0.177,good,2,0.6666666666666666,0.3333333333333333,3,17.333333333333332,2.873333333333333,93.83333333333331,13.666666666666666,2.833333333333333,2.5,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,135.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,17.0,17.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnTa2O4,MnTa2O4,bimetallic_oxide,2,"Mn, O, Ta",-2.64,0.04,0.7,0.301,0.402,good,2,0.5714285714285714,0.4285714285714286,3,29.0,2.6157142857142857,101.57142857142856,11.571428571428571,3.4285714285714284,1.5714285714285712,3.44,1.5,1.94,146,73,73,73,8,1.55,1.5,0.05,139.66666666666666,3.666666666666666,8,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.1,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2TaO4,Mn2TaO4,bimetallic_oxide,2,"Mn, O, Ta",-2.64,0.532,1.01,0.383,0.392,good,2,0.5714285714285714,0.4285714285714286,3,22.142857142857142,2.6228571428571428,98.85714285714286,11.857142857142856,3.142857142857143,1.857142857142857,3.44,1.5,1.94,146,73,73,73,8,1.55,1.5,0.05,133.33333333333331,4.333333333333332,8,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.8,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnTaO2,MnTaO2,bimetallic_oxide,2,"Mn, O, Ta",-2.43,0.047,1.31,0.422,0.333,good,2,0.5,0.5,3,28.5,2.4825,104.75,11.0,3.5,2.0,3.44,1.5,1.94,146,73,73,73,8,1.55,1.5,0.05,136.5,4.0,8,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,33.1,23.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnTaO3,MnTaO3,bimetallic_oxide,2,"Mn, O, Ta",-2.97,0.047,1.35,0.343,0.454,good,2,0.6,0.4,3,24.4,2.6740000000000004,98.4,12.0,3.2,1.6,3.44,1.5,1.94,146,73,73,73,8,1.55,1.5,0.05,136.5,4.0,8,5,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.1,68.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnTaO4,MnTaO4,bimetallic_oxide,2,"Mn, O, Ta",-2.28,0.187,0.75,0.351,0.319,good,2,0.6666666666666666,0.3333333333333333,3,21.666666666666664,2.8016666666666663,94.16666666666666,12.666666666666666,3.0,1.3333333333333333,3.44,1.5,1.94,146,73,73,73,8,1.55,1.5,0.05,136.49999999999997,3.999999999999999,8,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.5,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnRe2O4,MnRe2O4,bimetallic_oxide,2,"Mn, O, Re",-2.45,0.317,0.54,0.224,0.299,good,2,0.5714285714285714,0.4285714285714286,3,29.57142857142857,2.7299999999999995,99.0,12.142857142857142,3.4285714285714284,2.1428571428571423,3.44,1.55,1.89,137,73,64,75,8,1.9,1.55,0.3499999999999998,133.66666666666663,4.999999999999999,10,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,38.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2ReO4,Mn2ReO4,bimetallic_oxide,2,"Mn, O, Re",-3.46,0.145,1.17,0.285,0.33,excellent,3,0.5714285714285714,0.4285714285714286,3,22.428571428571427,2.68,97.57142857142856,12.142857142857142,3.142857142857143,2.1428571428571423,3.44,1.55,1.89,137,73,64,75,8,1.9,1.55,0.3499999999999998,130.33333333333331,4.999999999999999,10,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,33.4,50.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnReO2,MnReO2,bimetallic_oxide,2,"Mn, O, Re",-2.98,0.061,0.77,0.392,0.335,good,2,0.5,0.5,3,29.0,2.5825,102.5,11.5,3.5,2.5,3.44,1.55,1.89,137,73,64,75,8,1.9,1.55,0.3499999999999998,132.0,5.0,10,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.5,59.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnReO3,MnReO3,bimetallic_oxide,2,"Mn, O, Re",-2.59,0.333,1.18,0.327,0.296,good,2,0.6,0.4,3,24.8,2.754,96.6,12.4,3.2,2.0,3.44,1.55,1.89,137,73,64,75,8,1.9,1.55,0.3499999999999998,132.0,5.0,10,5,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.0,23.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnReO4,MnReO4,bimetallic_oxide,2,"Mn, O, Re",-2.52,0.102,1.68,0.295,0.33,good,2,0.6666666666666666,0.3333333333333333,3,22.0,2.868333333333333,92.66666666666666,13.0,3.0,1.6666666666666663,3.44,1.55,1.89,137,73,64,75,8,1.9,1.55,0.3499999999999998,131.99999999999997,4.999999999999999,10,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.1,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnIr2O4,MnIr2O4,bimetallic_oxide,2,"Ir, Mn, O",-3.02,0.111,0.82,0.279,0.276,good,2,0.5714285714285714,0.4285714285714286,3,30.142857142857142,2.8157142857142854,98.71428571428572,12.714285714285714,3.4285714285714284,2.7142857142857144,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,133.0,6.333333333333332,12,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,36.3,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2IrO4,Mn2IrO4,bimetallic_oxide,2,"Ir, Mn, O",-3.13,0.027,0.93,0.353,0.284,good,2,0.5714285714285714,0.4285714285714286,3,22.714285714285715,2.7228571428571424,97.42857142857144,12.428571428571429,3.142857142857143,2.4285714285714284,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,130.0,5.666666666666666,12,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.1,38.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnIrO2,MnIrO2,bimetallic_oxide,2,"Ir, Mn, O",-2.99,0.188,1.08,0.205,0.347,good,2,0.5,0.5,3,29.5,2.6575,102.25,12.0,3.5,3.0,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,131.5,6.0,12,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,32.4,5.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnIrO3,MnIrO3,bimetallic_oxide,2,"Ir, Mn, O",-3.51,0.343,1.13,0.283,0.315,excellent,3,0.6,0.4,3,25.2,2.814,96.4,12.8,3.2,2.4000000000000004,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,131.5,6.0,12,7,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,22.8,25.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnIrO4,MnIrO4,bimetallic_oxide,2,"Ir, Mn, O",-2.68,0.157,0.87,0.323,0.319,good,2,0.6666666666666666,0.3333333333333333,3,22.33333333333333,2.918333333333333,92.5,13.333333333333332,3.0,2.0,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,131.49999999999997,5.999999999999998,12,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,28.3,46.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAu2O4,MnAu2O4,bimetallic_oxide,2,"Au, Mn, O",-2.65,0.265,1.36,0.41,0.262,good,2,0.5714285714285714,0.4285714285714286,3,30.71428571428571,2.912857142857143,101.0,13.285714285714285,3.4285714285714284,3.571428571428571,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,138.33333333333331,8.333333333333332,15,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,12.0,31.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2AuO4,Mn2AuO4,bimetallic_oxide,2,"Au, Mn, O",-2.75,0.104,0.98,0.289,0.219,good,2,0.5714285714285714,0.4285714285714286,3,23.0,2.771428571428572,98.57142857142856,12.714285714285714,3.142857142857143,2.8571428571428568,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,132.66666666666666,6.666666666666665,15,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,53.2,25.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAuO2,MnAuO2,bimetallic_oxide,2,"Au, Mn, O",-2.9,0.016,0.8,0.216,0.369,good,2,0.5,0.5,3,30.0,2.7425,104.25,12.5,3.5,3.75,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,135.5,7.5,15,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,21.9,39.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAuO3,MnAuO3,bimetallic_oxide,2,"Au, Mn, O",-3.53,0.101,1.09,0.236,0.219,excellent,3,0.6,0.4,3,25.6,2.882,98.0,13.2,3.2,3.0,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,135.5,7.5,15,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.2,35.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnAuO4,MnAuO4,bimetallic_oxide,2,"Au, Mn, O",-3.67,0.025,1.09,0.217,0.269,excellent,3,0.6666666666666666,0.3333333333333333,3,22.666666666666664,2.975,93.83333333333331,13.666666666666666,3.0,2.5,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,135.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,46.0,36.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnSn2O4,MnSn2O4,bimetallic_oxide,2,"Mn, O, Sn",-2.53,0.841,1.12,0.285,0.24,good,2,0.5714285714285714,0.4285714285714286,3,22.428571428571427,2.747142857142857,101.28571428571428,14.142857142857142,3.1428571428571423,3.571428571428571,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,138.99999999999997,8.333333333333332,15,10,0.1428571428571428,0.2857142857142857,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,57.8,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2SnO4,Mn2SnO4,bimetallic_oxide,2,"Mn, O, Sn",-2.14,0.36,1.06,0.186,0.265,good,2,0.5714285714285714,0.4285714285714286,3,18.85714285714285,2.688571428571428,98.71428571428572,13.142857142857142,3.0,2.8571428571428568,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,132.99999999999997,6.666666666666665,15,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,30.5,12.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnSnO2,MnSnO2,bimetallic_oxide,2,"Mn, O, Sn",-2.1,0.147,0.61,0.358,0.276,good,2,0.5,0.5,3,22.75,2.5975,104.5,13.25,3.25,3.75,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,136.0,7.5,15,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,55.6,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnSnO3,MnSnO3,bimetallic_oxide,2,"Mn, O, Sn",-2.18,0.078,1.26,0.242,0.295,good,2,0.6,0.4,3,19.8,2.766,98.2,13.8,3.0,3.0,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,136.0,7.5,15,10,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,46.7,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnSnO4,MnSnO4,bimetallic_oxide,2,"Mn, O, Sn",-2.59,0.321,0.37,0.285,0.25,good,2,0.6666666666666666,0.3333333333333333,3,17.833333333333332,2.878333333333333,94.0,14.166666666666666,2.833333333333333,2.5,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,135.99999999999997,7.499999999999998,15,10,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.5,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnLa2O4,MnLa2O4,bimetallic_oxide,2,"La, Mn, O",-2.43,0.214,1.98,0.325,0.291,good,2,0.5714285714285714,0.4285714285714286,3,24.428571428571427,2.501428571428572,113.28571428571428,11.0,3.4285714285714284,1.0,3.44,1.1,2.34,187,73,114,57,8,1.55,1.1,0.4499999999999999,166.99999999999997,2.333333333333333,6,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,False,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,42.2,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mn2LaO4,Mn2LaO4,bimetallic_oxide,2,"La, Mn, O",-2.98,0.198,1.68,0.332,0.36,excellent,3,0.5714285714285714,0.4285714285714286,3,19.85714285714285,2.5657142857142854,104.71428571428572,11.571428571428571,3.142857142857143,1.5714285714285712,3.44,1.1,2.34,187,73,114,57,8,1.55,1.1,0.4499999999999999,146.99999999999997,3.666666666666666,6,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,38.1,55.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnLaO2,MnLaO2,bimetallic_oxide,2,"La, Mn, O",-2.58,0.12,0.98,0.35,0.354,good,2,0.5,0.5,3,24.5,2.3825,115.0,10.5,3.5,1.5,3.44,1.1,2.34,187,73,114,57,8,1.55,1.1,0.4499999999999999,157.0,3.0,6,5,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,5.0,9.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnLaO3,MnLaO3,bimetallic_oxide,2,"La, Mn, O",-2.85,0.387,1.71,0.208,0.405,good,2,0.6,0.4,3,21.2,2.5940000000000003,106.6,11.6,3.2,1.2,3.44,1.1,2.34,187,73,114,57,8,1.55,1.1,0.4499999999999999,157.0,3.0,6,5,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,43.7,43.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MnLaO4,MnLaO4,bimetallic_oxide,2,"La, Mn, O",-2.86,0.083,1.64,0.28,0.328,good,2,0.6666666666666666,0.3333333333333333,3,19.0,2.7349999999999994,101.0,12.333333333333332,3.0,1.0,3.44,1.1,2.34,187,73,114,57,8,1.55,1.1,0.4499999999999999,156.99999999999997,3.0,6,5,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,26.1,32.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCo2O4,FeCo2O4,bimetallic_oxide,2,"Co, Fe, O",-3.27,0.059,1.0,0.4,0.267,excellent,3,0.5714285714285714,0.4285714285714286,3,15.999999999999998,2.764285714285714,95.42857142857144,12.857142857142856,2.8571428571428568,2.857142857142857,3.44,1.83,1.61,126,73,53,27,8,1.88,1.83,0.0499999999999998,125.33333333333331,6.666666666666666,13,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.6,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2CoO4,Fe2CoO4,bimetallic_oxide,2,"Co, Fe, O",-2.21,0.212,1.41,0.277,0.444,good,2,0.5714285714285714,0.4285714285714286,3,15.857142857142856,2.7571428571428567,95.57142857142856,12.714285714285714,2.8571428571428568,2.7142857142857144,3.44,1.83,1.61,126,73,53,27,8,1.88,1.83,0.0499999999999998,125.66666666666666,6.333333333333332,13,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,5.0,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCoO2,FeCoO2,bimetallic_oxide,2,"Co, Fe, O",-2.51,0.047,1.23,0.304,0.178,good,2,0.5,0.5,3,17.25,2.6475,99.25,12.25,3.0,3.25,3.44,1.83,1.61,126,73,53,27,8,1.88,1.83,0.0499999999999998,125.5,6.5,13,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.4,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCoO3,FeCoO3,bimetallic_oxide,2,"Co, Fe, O",-2.51,0.12,1.05,0.326,0.32,good,2,0.6,0.4,3,15.4,2.806,94.0,13.0,2.8,2.6000000000000005,3.44,1.83,1.61,126,73,53,27,8,1.88,1.83,0.0499999999999998,125.5,6.5,13,7,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.4,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCoO4,FeCoO4,bimetallic_oxide,2,"Co, Fe, O",-3.69,0.008,1.07,0.202,0.357,excellent,3,0.6666666666666666,0.3333333333333333,3,14.166666666666666,2.911666666666666,90.5,13.5,2.6666666666666665,2.1666666666666665,3.44,1.83,1.61,126,73,53,27,8,1.88,1.83,0.0499999999999998,125.5,6.499999999999998,13,7,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,30.8,34.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCu2O4,FeCu2O4,bimetallic_oxide,2,"Cu, Fe, O",-2.48,0.046,0.78,0.391,0.312,good,2,0.5714285714285714,0.4285714285714286,3,16.57142857142857,2.77,96.28571428571428,13.428571428571429,2.8571428571428568,3.714285714285714,3.44,1.83,1.61,128,73,55,29,8,1.9,1.83,0.0699999999999998,127.33333333333331,8.666666666666664,16,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,30.8,19.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2CuO4,Fe2CuO4,bimetallic_oxide,2,"Cu, Fe, O",-2.76,0.016,1.03,0.312,0.207,good,2,0.5714285714285714,0.4285714285714286,3,16.142857142857142,2.76,96.0,13.0,2.8571428571428568,3.1428571428571423,3.44,1.83,1.61,128,73,55,29,8,1.9,1.83,0.0699999999999998,126.66666666666666,7.333333333333332,16,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,12.5,27.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCuO2,FeCuO2,bimetallic_oxide,2,"Cu, Fe, O",-1.84,0.259,1.18,0.391,0.204,good,2,0.5,0.5,3,17.75,2.6525,100.0,12.75,3.0,4.0,3.44,1.83,1.61,128,73,55,29,8,1.9,1.83,0.0699999999999998,127.0,8.0,16,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.3,28.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCuO3,FeCuO3,bimetallic_oxide,2,"Cu, Fe, O",-1.88,0.05,0.93,0.361,0.204,good,2,0.6,0.4,3,15.8,2.81,94.6,13.4,2.8,3.2,3.44,1.83,1.61,128,73,55,29,8,1.9,1.83,0.0699999999999998,127.0,8.0,16,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.5,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeCuO4,FeCuO4,bimetallic_oxide,2,"Cu, Fe, O",-2.74,0.104,1.07,0.251,0.275,good,2,0.6666666666666666,0.3333333333333333,3,14.5,2.915,91.0,13.833333333333332,2.6666666666666665,2.6666666666666665,3.44,1.83,1.61,128,73,55,29,8,1.9,1.83,0.0699999999999998,127.0,7.999999999999998,16,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.8,40.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeZr2O4,FeZr2O4,bimetallic_oxide,2,"Fe, O, Zr",-2.11,0.159,1.77,0.434,0.311,good,2,0.5714285714285714,0.4285714285714286,3,19.71428571428571,2.6071428571428568,105.42857142857142,11.428571428571429,3.1428571428571423,1.4285714285714284,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,148.66666666666663,3.333333333333333,8,6,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,23.4,31.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2ZrO4,Fe2ZrO4,bimetallic_oxide,2,"Fe, O, Zr",-2.9,0.061,1.2,0.245,0.287,good,2,0.5714285714285714,0.4285714285714286,3,17.71428571428571,2.6785714285714284,100.57142857142856,12.0,3.0,2.0,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,137.33333333333331,4.666666666666666,8,6,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.1,46.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeZrO2,FeZrO2,bimetallic_oxide,2,"Fe, O, Zr",-2.76,0.04,1.52,0.283,0.293,good,2,0.5,0.5,3,20.5,2.51,108.0,11.0,3.25,2.0,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,143.0,4.0,8,6,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.1,6.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeZrO3,FeZrO3,bimetallic_oxide,2,"Fe, O, Zr",-3.24,0.514,1.43,0.274,0.321,excellent,3,0.6,0.4,3,18.0,2.696,101.0,12.0,3.0,1.6,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,143.0,4.0,8,6,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,42.5,23.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeZrO4,FeZrO4,bimetallic_oxide,2,"Fe, O, Zr",-3.0,0.036,1.55,0.326,0.295,excellent,3,0.6666666666666666,0.3333333333333333,3,16.333333333333332,2.82,96.33333333333331,12.666666666666666,2.833333333333333,1.3333333333333333,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,142.99999999999997,4.0,8,6,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,67.2,10.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeMo2O4,FeMo2O4,bimetallic_oxide,2,"Fe, Mo, O",-3.19,0.116,1.44,0.336,0.372,excellent,3,0.5714285714285714,0.4285714285714286,3,20.285714285714285,2.844285714285714,99.42857142857144,12.0,3.1428571428571423,2.2857142857142856,3.44,1.83,1.61,139,73,66,42,8,2.16,1.83,0.33,134.66666666666666,5.333333333333332,11,6,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,16.1,17.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2MoO4,Fe2MoO4,bimetallic_oxide,2,"Fe, Mo, O",-3.32,0.035,1.21,0.314,0.2,excellent,3,0.5714285714285714,0.4285714285714286,3,18.0,2.7971428571428567,97.57142857142856,12.285714285714285,3.0,2.4285714285714284,3.44,1.83,1.61,139,73,66,42,8,2.16,1.83,0.33,130.33333333333331,5.666666666666666,11,6,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,36.9,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeMoO2,FeMoO2,bimetallic_oxide,2,"Fe, Mo, O",-3.2,0.05,0.87,0.423,0.213,good,2,0.5,0.5,3,21.0,2.7175,102.75,11.5,3.25,2.75,3.44,1.83,1.61,139,73,66,42,8,2.16,1.83,0.33,132.5,5.5,11,6,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.8,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeMoO3,FeMoO3,bimetallic_oxide,2,"Fe, Mo, O",-2.95,0.157,1.28,0.294,0.286,good,2,0.6,0.4,3,18.4,2.862,96.8,12.4,3.0,2.2,3.44,1.83,1.61,139,73,66,42,8,2.16,1.83,0.33,132.5,5.5,11,6,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.3,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeMoO4,FeMoO4,bimetallic_oxide,2,"Fe, Mo, O",-3.67,0.019,1.27,0.227,0.284,excellent,3,0.6666666666666666,0.3333333333333333,3,16.666666666666664,2.958333333333333,92.83333333333331,13.0,2.833333333333333,1.8333333333333333,3.44,1.83,1.61,139,73,66,42,8,2.16,1.83,0.33,132.49999999999997,5.499999999999999,11,6,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.9,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeRh2O4,FeRh2O4,bimetallic_oxide,2,"Fe, O, Rh",-3.45,0.042,0.93,0.354,0.336,excellent,3,0.5714285714285714,0.4285714285714286,3,21.142857142857142,2.878571428571428,98.0,12.857142857142856,3.1428571428571423,3.142857142857143,3.44,1.83,1.61,134,73,61,45,8,2.28,1.83,0.4499999999999997,131.33333333333331,7.333333333333333,14,8,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.9,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2RhO4,Fe2RhO4,bimetallic_oxide,2,"Fe, O, Rh",-2.97,0.313,0.57,0.374,0.213,good,2,0.5714285714285714,0.4285714285714286,3,18.428571428571427,2.814285714285714,96.85714285714286,12.714285714285714,3.0,2.8571428571428568,3.44,1.83,1.61,134,73,61,45,8,2.28,1.83,0.4499999999999997,128.66666666666666,6.666666666666666,14,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.5,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeRhO2,FeRhO2,bimetallic_oxide,2,"Fe, O, Rh",-2.78,0.012,0.46,0.374,0.294,good,2,0.5,0.5,3,21.75,2.7475,101.5,12.25,3.25,3.5,3.44,1.83,1.61,134,73,61,45,8,2.28,1.83,0.4499999999999997,130.0,7.0,14,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.8,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeRhO3,FeRhO3,bimetallic_oxide,2,"Fe, O, Rh",-2.86,0.035,1.41,0.204,0.327,good,2,0.6,0.4,3,19.0,2.886,95.8,13.0,3.0,2.8000000000000003,3.44,1.83,1.61,134,73,61,45,8,2.28,1.83,0.4499999999999997,130.0,7.0,14,8,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,59.5,13.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeRhO4,FeRhO4,bimetallic_oxide,2,"Fe, O, Rh",-2.61,0.236,1.32,0.285,0.265,good,2,0.6666666666666666,0.3333333333333333,3,17.166666666666664,2.978333333333333,92.0,13.5,2.833333333333333,2.333333333333333,3.44,1.83,1.61,134,73,61,45,8,2.28,1.83,0.4499999999999997,129.99999999999997,6.999999999999999,14,8,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.6,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAg2O4,FeAg2O4,bimetallic_oxide,2,"Ag, Fe, O",-2.23,0.138,0.67,0.257,0.232,good,2,0.5714285714285714,0.4285714285714286,3,21.71428571428571,2.7785714285714285,100.85714285714286,13.428571428571429,3.1428571428571423,3.714285714285714,3.44,1.83,1.61,144,73,71,47,8,1.93,1.83,0.0999999999999998,138.0,8.666666666666664,16,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,17.3,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2AgO4,Fe2AgO4,bimetallic_oxide,2,"Ag, Fe, O",-2.36,0.19,0.76,0.377,0.264,good,2,0.5714285714285714,0.4285714285714286,3,18.71428571428571,2.7642857142857142,98.28571428571428,13.0,3.0,3.1428571428571423,3.44,1.83,1.61,144,73,71,47,8,1.93,1.83,0.0999999999999998,132.0,7.333333333333332,16,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,27.2,22.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAgO2,FeAgO2,bimetallic_oxide,2,"Ag, Fe, O",-2.72,0.004,0.91,0.351,0.245,good,2,0.5,0.5,3,22.25,2.66,104.0,12.75,3.25,4.0,3.44,1.83,1.61,144,73,71,47,8,1.93,1.83,0.0999999999999998,135.0,8.0,16,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.8,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAgO3,FeAgO3,bimetallic_oxide,2,"Ag, Fe, O",-2.26,0.084,0.62,0.27,0.259,good,2,0.6,0.4,3,19.4,2.8160000000000003,97.8,13.4,3.0,3.2,3.44,1.83,1.61,144,73,71,47,8,1.93,1.83,0.0999999999999998,135.0,8.0,16,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.9,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAgO4,FeAgO4,bimetallic_oxide,2,"Ag, Fe, O",-2.6,0.31,1.15,0.231,0.272,good,2,0.6666666666666666,0.3333333333333333,3,17.5,2.9199999999999995,93.66666666666666,13.833333333333332,2.833333333333333,2.6666666666666665,3.44,1.83,1.61,144,73,71,47,8,1.93,1.83,0.0999999999999998,134.99999999999997,7.999999999999998,16,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,60.3,37.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeTa2O4,FeTa2O4,bimetallic_oxide,2,"Fe, O, Ta",-2.72,0.105,1.16,0.306,0.284,good,2,0.5714285714285714,0.4285714285714286,3,29.142857142857142,2.6557142857142857,101.42857142857144,11.714285714285714,3.4285714285714284,1.7142857142857142,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,139.33333333333331,4.0,9,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,26.5,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2TaO4,Fe2TaO4,bimetallic_oxide,2,"Fe, O, Ta",-2.31,0.086,1.35,0.258,0.258,good,2,0.5714285714285714,0.4285714285714286,3,22.428571428571427,2.7028571428571424,98.57142857142856,12.142857142857142,3.142857142857143,2.142857142857143,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,132.66666666666666,4.999999999999999,9,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.6,51.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeTaO2,FeTaO2,bimetallic_oxide,2,"Fe, O, Ta",-3.1,0.05,1.66,0.158,0.263,excellent,3,0.5,0.5,3,28.75,2.5525,104.5,11.25,3.5,2.25,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,136.0,4.5,9,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,48.5,40.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeTaO3,FeTaO3,bimetallic_oxide,2,"Fe, O, Ta",-2.46,0.051,0.79,0.309,0.297,good,2,0.6,0.4,3,24.6,2.73,98.2,12.2,3.2,1.8000000000000005,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,136.0,4.500000000000001,9,6,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,70.0,7.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeTaO4,FeTaO4,bimetallic_oxide,2,"Fe, O, Ta",-3.18,0.194,1.22,0.276,0.244,excellent,3,0.6666666666666666,0.3333333333333333,3,21.83333333333333,2.848333333333333,94.0,12.833333333333332,3.0,1.5,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,135.99999999999997,4.499999999999999,9,6,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.9,13.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeRe2O4,FeRe2O4,bimetallic_oxide,2,"Fe, O, Re",-3.17,0.163,0.69,0.266,0.307,good,2,0.5714285714285714,0.4285714285714286,3,29.71428571428571,2.77,98.85714285714286,12.285714285714285,3.4285714285714284,2.2857142857142856,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,133.33333333333331,5.333333333333332,11,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,57.5,14.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2ReO4,Fe2ReO4,bimetallic_oxide,2,"Fe, O, Re",-2.4,0.236,1.19,0.05,0.341,good,2,0.5714285714285714,0.4285714285714286,3,22.71428571428571,2.76,97.28571428571428,12.428571428571429,3.142857142857143,2.4285714285714284,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,129.66666666666666,5.666666666666666,11,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.2,50.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeReO2,FeReO2,bimetallic_oxide,2,"Fe, O, Re",-2.6,0.204,0.97,0.206,0.222,good,2,0.5,0.5,3,29.25,2.6525,102.25,11.75,3.5,2.75,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,131.5,5.5,11,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,55.6,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeReO3,FeReO3,bimetallic_oxide,2,"Fe, O, Re",-2.27,0.009,0.86,0.266,0.174,good,2,0.6,0.4,3,25.0,2.81,96.4,12.6,3.2,2.2,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,131.5,5.5,11,6,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,58.3,42.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeReO4,FeReO4,bimetallic_oxide,2,"Fe, O, Re",-3.21,0.145,1.1,0.193,0.288,excellent,3,0.6666666666666666,0.3333333333333333,3,22.166666666666664,2.915,92.5,13.166666666666666,3.0,1.8333333333333333,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,131.49999999999997,5.499999999999999,11,6,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.5,57.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeIr2O4,FeIr2O4,bimetallic_oxide,2,"Fe, Ir, O",-2.15,0.086,0.92,0.272,0.448,good,2,0.5714285714285714,0.4285714285714286,3,30.285714285714285,2.855714285714285,98.57142857142856,12.857142857142856,3.4285714285714284,2.857142857142857,3.44,1.83,1.61,136,73,63,77,8,2.2,1.83,0.3700000000000001,132.66666666666666,6.666666666666666,13,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,66.0,32.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2IrO4,Fe2IrO4,bimetallic_oxide,2,"Fe, Ir, O",-3.03,0.037,0.96,0.18,0.201,good,2,0.5714285714285714,0.4285714285714286,3,23.0,2.8028571428571425,97.14285714285714,12.714285714285714,3.142857142857143,2.7142857142857144,3.44,1.83,1.61,136,73,63,77,8,2.2,1.83,0.3700000000000001,129.33333333333331,6.333333333333332,13,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.5,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeIrO2,FeIrO2,bimetallic_oxide,2,"Fe, Ir, O",-2.94,0.096,0.58,0.236,0.22,good,2,0.5,0.5,3,29.75,2.7275,102.0,12.25,3.5,3.25,3.44,1.83,1.61,136,73,63,77,8,2.2,1.83,0.3700000000000001,131.0,6.5,13,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,27.7,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeIrO3,FeIrO3,bimetallic_oxide,2,"Fe, Ir, O",-2.67,0.003,1.32,0.377,0.308,good,2,0.6,0.4,3,25.4,2.87,96.2,13.0,3.2,2.6000000000000005,3.44,1.83,1.61,136,73,63,77,8,2.2,1.83,0.3700000000000001,131.0,6.5,13,7,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,43.7,38.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeIrO4,FeIrO4,bimetallic_oxide,2,"Fe, Ir, O",-3.18,0.177,1.01,0.292,0.276,good,2,0.6666666666666666,0.3333333333333333,3,22.5,2.965,92.33333333333331,13.5,3.0,2.1666666666666665,3.44,1.83,1.61,136,73,63,77,8,2.2,1.83,0.3700000000000001,130.99999999999997,6.499999999999998,13,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.5,6.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAu2O4,FeAu2O4,bimetallic_oxide,2,"Au, Fe, O",-3.18,0.021,0.78,0.361,0.26,good,2,0.5714285714285714,0.4285714285714286,3,30.85714285714285,2.9528571428571424,100.85714285714286,13.428571428571429,3.4285714285714284,3.714285714285714,3.44,1.83,1.61,144,73,71,79,8,2.54,1.83,0.71,138.0,8.666666666666664,16,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,29.8,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2AuO4,Fe2AuO4,bimetallic_oxide,2,"Au, Fe, O",-2.94,0.038,0.75,0.248,0.275,good,2,0.5714285714285714,0.4285714285714286,3,23.285714285714285,2.851428571428571,98.28571428571428,13.0,3.142857142857143,3.1428571428571423,3.44,1.83,1.61,144,73,71,79,8,2.54,1.83,0.71,132.0,7.333333333333332,16,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,26.5,46.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAuO2,FeAuO2,bimetallic_oxide,2,"Au, Fe, O",-2.44,0.073,0.71,0.252,0.22,good,2,0.5,0.5,3,30.25,2.8125,104.0,12.75,3.5,4.0,3.44,1.83,1.61,144,73,71,79,8,2.54,1.83,0.71,135.0,8.0,16,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,36.5,48.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAuO3,FeAuO3,bimetallic_oxide,2,"Au, Fe, O",-3.01,0.005,1.46,0.246,0.276,good,2,0.6,0.4,3,25.8,2.938,97.8,13.4,3.2,3.2,3.44,1.83,1.61,144,73,71,79,8,2.54,1.83,0.71,135.0,8.0,16,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.4,44.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeAuO4,FeAuO4,bimetallic_oxide,2,"Au, Fe, O",-3.36,0.126,0.7,0.159,0.289,good,2,0.6666666666666666,0.3333333333333333,3,22.83333333333333,3.0216666666666665,93.66666666666666,13.833333333333332,3.0,2.6666666666666665,3.44,1.83,1.61,144,73,71,79,8,2.54,1.83,0.71,134.99999999999997,7.999999999999998,16,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,12.4,21.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeSn2O4,FeSn2O4,bimetallic_oxide,2,"Fe, O, Sn",-1.85,0.092,0.5,0.369,0.333,good,2,0.5714285714285714,0.4285714285714286,3,22.57142857142857,2.787142857142857,101.14285714285714,14.285714285714285,3.1428571428571423,3.714285714285714,3.44,1.83,1.61,145,73,72,50,8,1.96,1.83,0.1299999999999999,138.66666666666663,8.666666666666664,16,10,0.1428571428571428,0.2857142857142857,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,51.4,53.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2SnO4,Fe2SnO4,bimetallic_oxide,2,"Fe, O, Sn",-3.09,0.085,1.29,0.279,0.291,good,2,0.5714285714285714,0.4285714285714286,3,19.142857142857142,2.768571428571428,98.42857142857144,13.428571428571429,3.0,3.1428571428571423,3.44,1.83,1.61,145,73,72,50,8,1.96,1.83,0.1299999999999999,132.33333333333331,7.333333333333332,16,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,24.9,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeSnO2,FeSnO2,bimetallic_oxide,2,"Fe, O, Sn",-3.07,0.211,1.47,0.301,0.3,excellent,3,0.5,0.5,3,23.0,2.6675,104.25,13.5,3.25,4.0,3.44,1.83,1.61,145,73,72,50,8,1.96,1.83,0.1299999999999999,135.5,8.0,16,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.8,59.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeSnO3,FeSnO3,bimetallic_oxide,2,"Fe, O, Sn",-2.78,0.14,1.04,0.327,0.293,good,2,0.6,0.4,3,20.0,2.822,98.0,14.0,3.0,3.2,3.44,1.83,1.61,145,73,72,50,8,1.96,1.83,0.1299999999999999,135.5,8.0,16,10,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.3,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeSnO4,FeSnO4,bimetallic_oxide,2,"Fe, O, Sn",-3.0,0.017,1.33,0.446,0.238,good,2,0.6666666666666666,0.3333333333333333,3,18.0,2.925,93.83333333333331,14.333333333333332,2.833333333333333,2.6666666666666665,3.44,1.83,1.61,145,73,72,50,8,1.96,1.83,0.1299999999999999,135.49999999999997,7.999999999999998,16,10,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.0,20.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeLa2O4,FeLa2O4,bimetallic_oxide,2,"Fe, La, O",-2.79,0.215,1.29,0.277,0.332,good,2,0.5714285714285714,0.4285714285714286,3,24.57142857142857,2.541428571428572,113.14285714285714,11.142857142857142,3.4285714285714284,1.1428571428571428,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,166.66666666666663,2.6666666666666665,7,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,24.9,33.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Fe2LaO4,Fe2LaO4,bimetallic_oxide,2,"Fe, La, O",-2.42,0.044,1.47,0.309,0.346,good,2,0.5714285714285714,0.4285714285714286,3,20.142857142857142,2.645714285714285,104.42857142857144,11.857142857142856,3.142857142857143,1.857142857142857,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,146.33333333333331,4.333333333333333,7,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,32.0,15.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeLaO2,FeLaO2,bimetallic_oxide,2,"Fe, La, O",-3.05,0.188,1.95,0.367,0.352,excellent,3,0.5,0.5,3,24.75,2.4525,114.75,10.75,3.5,1.75,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,156.5,3.5,7,6,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,53.1,12.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeLaO3,FeLaO3,bimetallic_oxide,2,"Fe, La, O",-2.59,0.06,1.94,0.458,0.292,good,2,0.6,0.4,3,21.4,2.6500000000000004,106.4,11.8,3.2,1.4,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,156.5,3.5000000000000004,7,6,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,30.5,18.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_FeLaO4,FeLaO4,bimetallic_oxide,2,"Fe, La, O",-3.32,0.337,1.65,0.474,0.285,excellent,3,0.6666666666666666,0.3333333333333333,3,19.166666666666664,2.7816666666666663,100.83333333333331,12.5,3.0,1.1666666666666667,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,156.49999999999997,3.5,7,6,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,32.0,39.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNi2O4,CoNi2O4,bimetallic_oxide,2,"Co, Ni, O",-2.34,0.012,1.01,0.367,0.216,good,2,0.5714285714285714,0.4285714285714286,3,16.428571428571427,2.78,95.0,13.285714285714285,2.8571428571428568,3.2857142857142856,3.44,1.88,1.56,125,73,52,28,8,1.91,1.88,0.03,124.33333333333331,7.666666666666666,15,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.6,43.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2NiO4,Co2NiO4,bimetallic_oxide,2,"Co, Ni, O",-2.1,0.005,0.82,0.205,0.298,good,2,0.5714285714285714,0.4285714285714286,3,16.285714285714285,2.7757142857142854,95.14285714285714,13.142857142857142,2.8571428571428568,3.142857142857143,3.44,1.88,1.56,125,73,52,28,8,1.91,1.88,0.03,124.66666666666666,7.333333333333332,15,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,30.7,14.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNiO2,CoNiO2,bimetallic_oxide,2,"Co, Ni, O",-3.45,0.396,0.42,0.252,0.194,good,2,0.5,0.5,3,17.75,2.6675,98.75,12.75,3.0,3.75,3.44,1.88,1.56,125,73,52,28,8,1.91,1.88,0.03,124.5,7.5,15,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,55.7,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNiO3,CoNiO3,bimetallic_oxide,2,"Co, Ni, O",-3.48,0.196,0.7,0.376,0.185,excellent,3,0.6,0.4,3,15.8,2.822,93.6,13.4,2.8,3.0,3.44,1.88,1.56,125,73,52,28,8,1.91,1.88,0.03,124.5,7.5,15,8,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,77.1,16.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNiO4,CoNiO4,bimetallic_oxide,2,"Co, Ni, O",-2.56,0.155,1.06,0.29,0.277,good,2,0.6666666666666666,0.3333333333333333,3,14.5,2.925,90.16666666666666,13.833333333333332,2.6666666666666665,2.5,3.44,1.88,1.56,125,73,52,28,8,1.91,1.88,0.03,124.49999999999996,7.499999999999998,15,8,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.6,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoZn2O4,CoZn2O4,bimetallic_oxide,2,"Co, O, Zn",-2.38,0.176,1.03,0.215,0.248,good,2,0.5714285714285714,0.4285714285714286,3,17.0,2.705714285714285,97.85714285714286,13.857142857142856,2.8571428571428568,3.8571428571428568,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,131.0,8.999999999999998,17,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2ZnO4,Co2ZnO4,bimetallic_oxide,2,"Co, O, Zn",-2.97,0.056,1.16,0.406,0.183,good,2,0.5714285714285714,0.4285714285714286,3,16.57142857142857,2.7385714285714284,96.57142857142856,13.428571428571429,2.8571428571428568,3.4285714285714284,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,128.0,7.999999999999998,17,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,20.8,43.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoZnO2,CoZnO2,bimetallic_oxide,2,"Co, O, Zn",-2.96,0.0,0.84,0.405,0.228,good,2,0.5,0.5,3,18.25,2.6025,101.25,13.25,3.0,4.25,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,129.5,8.5,17,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,35.3,60.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoZnO3,CoZnO3,bimetallic_oxide,2,"Co, O, Zn",-2.82,0.06,0.98,0.2,0.212,good,2,0.6,0.4,3,16.2,2.77,95.6,13.8,2.8,3.4000000000000004,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,129.5,8.5,17,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,16.1,24.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoZnO4,CoZnO4,bimetallic_oxide,2,"Co, O, Zn",-2.02,0.082,0.6,0.496,0.318,good,2,0.6666666666666666,0.3333333333333333,3,14.833333333333332,2.8816666666666664,91.83333333333331,14.166666666666666,2.6666666666666665,2.833333333333333,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,129.49999999999997,8.499999999999998,17,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,18.3,44.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNb2O4,CoNb2O4,bimetallic_oxide,2,"Co, Nb, O",-2.99,0.086,1.12,0.207,0.436,good,2,0.5714285714285714,0.4285714285714286,3,20.142857142857142,2.6914285714285717,101.28571428571428,11.857142857142856,3.1428571428571423,2.142857142857143,3.44,1.6,1.84,146,73,73,41,8,1.88,1.6,0.2799999999999998,139.0,5.0,11,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,43.9,31.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2NbO4,Co2NbO4,bimetallic_oxide,2,"Co, Nb, O",-2.44,0.032,0.53,0.241,0.355,good,2,0.5714285714285714,0.4285714285714286,3,18.142857142857142,2.7314285714285718,98.28571428571428,12.428571428571429,3.0,2.571428571428571,3.44,1.6,1.84,146,73,73,41,8,1.88,1.6,0.2799999999999998,132.0,5.999999999999999,11,7,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,44.4,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNbO2,CoNbO2,bimetallic_oxide,2,"Co, Nb, O",-3.49,0.001,0.68,0.362,0.308,excellent,3,0.5,0.5,3,21.0,2.59,104.25,11.5,3.25,2.75,3.44,1.6,1.84,146,73,73,41,8,1.88,1.6,0.2799999999999998,135.5,5.5,11,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,37.4,43.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNbO3,CoNbO3,bimetallic_oxide,2,"Co, Nb, O",-2.71,0.014,1.26,0.187,0.36,good,2,0.6,0.4,3,18.4,2.76,98.0,12.4,3.0,2.2,3.44,1.6,1.84,146,73,73,41,8,1.88,1.6,0.2799999999999998,135.5,5.5,11,7,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.4,38.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoNbO4,CoNbO4,bimetallic_oxide,2,"Co, Nb, O",-2.4,0.15,1.22,0.3,0.39,good,2,0.6666666666666666,0.3333333333333333,3,16.666666666666664,2.873333333333333,93.83333333333331,13.0,2.833333333333333,1.833333333333333,3.44,1.6,1.84,146,73,73,41,8,1.88,1.6,0.2799999999999998,135.49999999999997,5.499999999999999,11,7,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.8,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoRu2O4,CoRu2O4,bimetallic_oxide,2,"Co, O, Ru",-2.23,0.386,0.84,0.292,0.3,good,2,0.5714285714285714,0.4285714285714286,3,21.0,2.8628571428571425,97.85714285714286,12.714285714285714,3.1428571428571423,3.0,3.44,1.88,1.56,134,73,61,44,8,2.2,1.88,0.3200000000000003,131.0,6.999999999999999,14,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,52.1,5.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2RuO4,Co2RuO4,bimetallic_oxide,2,"Co, O, Ru",-2.94,0.36,1.31,0.365,0.287,good,2,0.5714285714285714,0.4285714285714286,3,18.57142857142857,2.8171428571428567,96.57142857142856,12.857142857142856,3.0,3.0,3.44,1.88,1.56,134,73,61,44,8,2.2,1.88,0.3200000000000003,128.0,6.999999999999999,14,7,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,40.9,40.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoRuO2,CoRuO2,bimetallic_oxide,2,"Co, O, Ru",-2.7,0.026,0.97,0.23,0.402,good,2,0.5,0.5,3,21.75,2.74,101.25,12.25,3.25,3.5,3.44,1.88,1.56,134,73,61,44,8,2.2,1.88,0.3200000000000003,129.5,7.0,14,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.4,43.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoRuO3,CoRuO3,bimetallic_oxide,2,"Co, O, Ru",-2.94,0.13,1.31,0.324,0.227,good,2,0.6,0.4,3,19.0,2.88,95.6,13.0,3.0,2.8000000000000003,3.44,1.88,1.56,134,73,61,44,8,2.2,1.88,0.3200000000000003,129.5,7.0,14,7,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.8,49.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoRuO4,CoRuO4,bimetallic_oxide,2,"Co, O, Ru",-2.76,0.012,1.15,0.356,0.343,good,2,0.6666666666666666,0.3333333333333333,3,17.166666666666664,2.973333333333333,91.83333333333331,13.5,2.833333333333333,2.333333333333333,3.44,1.88,1.56,134,73,61,44,8,2.2,1.88,0.3200000000000003,129.49999999999997,6.999999999999998,14,7,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,43.3,49.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPd2O4,CoPd2O4,bimetallic_oxide,2,"Co, O, Pd",-2.79,0.403,1.35,0.337,0.316,good,2,0.5714285714285714,0.4285714285714286,3,21.57142857142857,2.8628571428571425,98.71428571428572,13.285714285714285,3.1428571428571423,3.8571428571428568,3.44,1.88,1.56,137,73,64,46,8,2.2,1.88,0.3200000000000003,132.99999999999997,8.999999999999998,17,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.5,34.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2PdO4,Co2PdO4,bimetallic_oxide,2,"Co, O, Pd",-2.63,0.077,0.47,0.412,0.222,good,2,0.5714285714285714,0.4285714285714286,3,18.85714285714285,2.8171428571428567,97.0,13.142857142857142,3.0,3.4285714285714284,3.44,1.88,1.56,137,73,64,46,8,2.2,1.88,0.3200000000000003,129.0,7.999999999999998,17,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,42.1,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPdO2,CoPdO2,bimetallic_oxide,2,"Co, O, Pd",-3.18,0.182,0.88,0.243,0.266,good,2,0.5,0.5,3,22.25,2.74,102.0,12.75,3.25,4.25,3.44,1.88,1.56,137,73,64,46,8,2.2,1.88,0.3200000000000003,131.0,8.5,17,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,28.1,59.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPdO3,CoPdO3,bimetallic_oxide,2,"Co, O, Pd",-2.36,0.076,1.08,0.133,0.341,good,2,0.6,0.4,3,19.4,2.88,96.2,13.4,3.0,3.4000000000000004,3.44,1.88,1.56,137,73,64,46,8,2.2,1.88,0.3200000000000003,131.0,8.5,17,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,40.1,50.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPdO4,CoPdO4,bimetallic_oxide,2,"Co, O, Pd",-2.81,0.233,1.16,0.309,0.356,good,2,0.6666666666666666,0.3333333333333333,3,17.5,2.973333333333333,92.33333333333331,13.833333333333332,2.833333333333333,2.833333333333333,3.44,1.88,1.56,137,73,64,46,8,2.2,1.88,0.3200000000000003,130.99999999999997,8.499999999999998,17,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,27.1,25.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoHf2O4,CoHf2O4,bimetallic_oxide,2,"Co, Hf, O",-2.11,0.043,1.39,0.372,0.259,good,2,0.5714285714285714,0.4285714285714286,3,29.0,2.605714285714285,105.0,11.571428571428571,3.4285714285714284,1.5714285714285714,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,147.66666666666666,3.666666666666666,9,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.7,50.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2HfO4,Co2HfO4,bimetallic_oxide,2,"Co, Hf, O",-3.31,0.053,1.39,0.464,0.166,excellent,3,0.5714285714285714,0.4285714285714286,3,22.57142857142857,2.688571428571428,100.14285714285714,12.285714285714285,3.142857142857143,2.2857142857142856,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,136.33333333333331,5.333333333333333,9,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,44.0,57.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoHfO2,CoHfO2,bimetallic_oxide,2,"Co, Hf, O",-3.0,0.176,1.55,0.304,0.408,excellent,3,0.5,0.5,3,28.75,2.515,107.5,11.25,3.5,2.25,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,142.0,4.5,9,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.7,54.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoHfO3,CoHfO3,bimetallic_oxide,2,"Co, Hf, O",-2.41,0.112,1.19,0.359,0.308,good,2,0.6,0.4,3,24.6,2.7,100.6,12.2,3.2,1.8000000000000005,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,142.0,4.5,9,7,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,70.7,38.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoHfO4,CoHfO4,bimetallic_oxide,2,"Co, Hf, O",-3.14,0.235,0.75,0.27,0.294,good,2,0.6666666666666666,0.3333333333333333,3,21.83333333333333,2.823333333333333,96.0,12.833333333333332,3.0,1.4999999999999998,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,141.99999999999997,4.499999999999999,9,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,65.0,45.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoW2O4,CoW2O4,bimetallic_oxide,2,"Co, O, W",-2.73,0.342,0.93,0.338,0.413,good,2,0.5714285714285714,0.4285714285714286,3,29.57142857142857,2.9085714285714284,99.28571428571428,12.142857142857142,3.4285714285714284,2.142857142857143,3.44,1.88,1.56,139,73,66,74,8,2.36,1.88,0.48,134.33333333333331,5.0,11,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,6.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2WO4,Co2WO4,bimetallic_oxide,2,"Co, O, W",-2.67,0.011,1.29,0.197,0.424,good,2,0.5714285714285714,0.4285714285714286,3,22.85714285714285,2.84,97.28571428571428,12.571428571428571,3.142857142857143,2.571428571428571,3.44,1.88,1.56,139,73,66,74,8,2.36,1.88,0.48,129.66666666666666,5.999999999999999,11,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,26.7,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoWO2,CoWO2,bimetallic_oxide,2,"Co, O, W",-2.43,0.005,1.14,0.308,0.236,good,2,0.5,0.5,3,29.25,2.78,102.5,11.75,3.5,2.75,3.44,1.88,1.56,139,73,66,74,8,2.36,1.88,0.48,132.0,5.5,11,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.1,28.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoWO3,CoWO3,bimetallic_oxide,2,"Co, O, W",-2.84,0.079,1.23,0.343,0.215,good,2,0.6,0.4,3,25.0,2.912,96.6,12.6,3.2,2.2,3.44,1.88,1.56,139,73,66,74,8,2.36,1.88,0.48,132.0,5.5,11,7,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,45.5,34.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoWO4,CoWO4,bimetallic_oxide,2,"Co, O, W",-2.75,0.032,1.24,0.312,0.333,good,2,0.6666666666666666,0.3333333333333333,3,22.166666666666664,3.0,92.66666666666666,13.166666666666666,3.0,1.833333333333333,3.44,1.88,1.56,139,73,66,74,8,2.36,1.88,0.48,131.99999999999997,5.499999999999999,11,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,42.5,34.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoOs2O4,CoOs2O4,bimetallic_oxide,2,"Co, O, Os",-2.55,0.099,0.86,0.194,0.317,good,2,0.5714285714285714,0.4285714285714286,3,30.14285714285714,2.8628571428571425,98.14285714285714,12.714285714285714,3.4285714285714284,2.7142857142857144,3.44,1.88,1.56,135,73,62,76,8,2.2,1.88,0.3200000000000003,131.66666666666666,6.333333333333332,13,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.7,22.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2OsO4,Co2OsO4,bimetallic_oxide,2,"Co, O, Os",-2.67,0.274,0.81,0.266,0.281,good,2,0.5714285714285714,0.4285714285714286,3,23.14285714285714,2.8171428571428567,96.71428571428572,12.857142857142856,3.142857142857143,2.857142857142857,3.44,1.88,1.56,135,73,62,76,8,2.2,1.88,0.3200000000000003,128.33333333333331,6.666666666666666,13,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,67.4,35.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoOsO2,CoOsO2,bimetallic_oxide,2,"Co, O, Os",-2.61,0.046,0.53,0.341,0.299,good,2,0.5,0.5,3,29.75,2.74,101.5,12.25,3.5,3.25,3.44,1.88,1.56,135,73,62,76,8,2.2,1.88,0.3200000000000003,130.0,6.5,13,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,16.7,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoOsO3,CoOsO3,bimetallic_oxide,2,"Co, O, Os",-2.91,0.035,0.78,0.368,0.226,good,2,0.6,0.4,3,25.4,2.88,95.8,13.0,3.2,2.6000000000000005,3.44,1.88,1.56,135,73,62,76,8,2.2,1.88,0.3200000000000003,130.0,6.5,13,7,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.6,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoOsO4,CoOsO4,bimetallic_oxide,2,"Co, O, Os",-2.39,0.251,1.06,0.35,0.257,good,2,0.6666666666666666,0.3333333333333333,3,22.5,2.973333333333333,92.0,13.5,3.0,2.1666666666666665,3.44,1.88,1.56,135,73,62,76,8,2.2,1.88,0.3200000000000003,129.99999999999997,6.499999999999998,13,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,29.0,16.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPt2O4,CoPt2O4,bimetallic_oxide,2,"Co, O, Pt",-2.86,0.49,0.53,0.332,0.262,good,2,0.5714285714285714,0.4285714285714286,3,30.71428571428571,2.885714285714285,99.28571428571428,13.285714285714285,3.4285714285714284,3.571428571428571,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,134.33333333333331,8.333333333333332,16,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,14.7,35.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2PtO4,Co2PtO4,bimetallic_oxide,2,"Co, O, Pt",-3.33,0.108,1.19,0.224,0.26,excellent,3,0.5714285714285714,0.4285714285714286,3,23.428571428571427,2.8285714285714283,97.28571428571428,13.142857142857142,3.142857142857143,3.2857142857142856,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,129.66666666666666,7.666666666666666,16,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.5,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPtO2,CoPtO2,bimetallic_oxide,2,"Co, O, Pt",-2.64,0.215,0.89,0.25,0.248,good,2,0.5,0.5,3,30.25,2.76,102.5,12.75,3.5,4.0,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,132.0,8.0,16,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.3,46.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPtO3,CoPtO3,bimetallic_oxide,2,"Co, O, Pt",-3.01,0.34,0.94,0.357,0.167,good,2,0.6,0.4,3,25.8,2.896,96.6,13.4,3.2,3.2,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,132.0,8.0,16,9,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,77.0,47.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoPtO4,CoPtO4,bimetallic_oxide,2,"Co, O, Pt",-2.99,0.331,1.48,0.256,0.237,good,2,0.6666666666666666,0.3333333333333333,3,22.83333333333333,2.9866666666666664,92.66666666666666,13.833333333333332,3.0,2.6666666666666665,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,131.99999999999997,7.999999999999998,16,9,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,5.0,24.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoAl2O4,CoAl2O4,bimetallic_oxide,2,"Al, Co, O",-2.69,0.468,2.89,0.291,0.326,excellent,3,0.5714285714285714,0.4285714285714286,3,12.142857142857142,2.694285714285714,93.28571428571428,14.142857142857142,2.571428571428571,1.0,3.44,1.61,1.83,125,73,52,27,8,1.88,1.61,0.2699999999999998,120.33333333333331,2.333333333333333,7,7,0.4285714285714285,0.0,0.0,0.2857142857142857,0,0,0.0,True,False,False,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,55.2,71.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2AlO4,Co2AlO4,bimetallic_oxide,2,"Al, Co, O",-2.52,0.098,1.91,0.373,0.426,good,2,0.5714285714285714,0.4285714285714286,3,14.142857142857142,2.7328571428571427,94.28571428571428,13.571428571428571,2.714285714285714,2.0,3.44,1.61,1.83,125,73,52,27,8,1.88,1.61,0.2699999999999998,122.66666666666666,4.666666666666666,7,7,0.4285714285714285,0.0,0.0,0.1428571428571428,0,0,0.0,True,False,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.4,35.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoAlO2,CoAlO2,bimetallic_oxide,2,"Al, Co, O",-2.48,0.06,2.57,0.403,0.388,excellent,3,0.5,0.5,3,14.0,2.5925,97.25,13.5,2.75,1.75,3.44,1.61,1.83,125,73,52,27,8,1.88,1.61,0.2699999999999998,121.5,3.5,7,7,0.5,0.0,0.0,0.25,0,0,0.0,True,False,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,43.6,23.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoAlO3,CoAlO3,bimetallic_oxide,2,"Al, Co, O",-2.52,0.135,1.93,0.32,0.28,good,2,0.6,0.4,3,12.8,2.762,92.4,14.0,2.6,1.4,3.44,1.61,1.83,125,73,52,27,8,1.88,1.61,0.2699999999999998,121.5,3.5,7,7,0.4,0.0,0.0,0.2,0,0,0.0,True,False,False,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.1,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoAlO4,CoAlO4,bimetallic_oxide,2,"Al, Co, O",-2.58,0.096,1.98,0.371,0.24,good,2,0.6666666666666666,0.3333333333333333,3,12.0,2.875,89.16666666666666,14.333333333333332,2.5,1.1666666666666663,3.44,1.61,1.83,125,73,52,27,8,1.88,1.61,0.2699999999999998,121.49999999999996,3.499999999999999,7,7,0.3333333333333333,0.0,0.0,0.1666666666666666,0,0,0.0,True,False,False,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,32.3,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoBi2O4,CoBi2O4,bimetallic_oxide,2,"Bi, Co, O",-2.61,0.197,1.54,0.227,0.25,good,2,0.5714285714285714,0.4285714285714286,3,32.14285714285714,2.811428571428571,100.42857142857144,14.714285714285714,3.4285714285714284,3.8571428571428568,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,136.99999999999997,8.999999999999998,17,10,0.1428571428571428,0.0,0.2857142857142857,0.2857142857142857,0,0,0.0,True,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,34.2,35.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2BiO4,Co2BiO4,bimetallic_oxide,2,"Bi, Co, O",-3.15,0.024,1.7,0.28,0.359,excellent,3,0.5714285714285714,0.4285714285714286,3,24.14285714285714,2.791428571428571,97.85714285714286,13.857142857142856,3.142857142857143,3.4285714285714284,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,131.0,7.999999999999998,17,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,54.3,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoBiO2,CoBiO2,bimetallic_oxide,2,"Bi, Co, O",-3.22,0.727,1.12,0.395,0.308,excellent,3,0.5,0.5,3,31.5,2.695,103.5,14.0,3.5,4.25,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,134.0,8.5,17,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,44.1,17.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoBiO3,CoBiO3,bimetallic_oxide,2,"Bi, Co, O",-3.4,0.004,0.93,0.309,0.279,excellent,3,0.6,0.4,3,26.8,2.8440000000000003,97.4,14.4,3.2,3.4000000000000004,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,134.0,8.5,17,10,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,45.9,29.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoBiO4,CoBiO4,bimetallic_oxide,2,"Bi, Co, O",-3.1,0.282,0.77,0.309,0.194,good,2,0.6666666666666666,0.3333333333333333,3,23.666666666666664,2.943333333333333,93.33333333333331,14.666666666666666,3.0,2.833333333333333,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,133.99999999999997,8.499999999999998,17,10,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,51.3,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoCe2O4,CoCe2O4,bimetallic_oxide,2,"Ce, Co, O",-2.44,0.499,1.14,0.319,0.271,good,2,0.5714285714285714,0.4285714285714286,3,25.0,2.5542857142857143,111.57142857142856,11.285714285714285,3.4285714285714284,1.2857142857142856,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,163.0,3.0,8,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,20.0,52.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Co2CeO4,Co2CeO4,bimetallic_oxide,2,"Ce, Co, O",-2.1,0.002,1.0,0.267,0.301,good,2,0.5714285714285714,0.4285714285714286,3,20.57142857142857,2.6628571428571424,103.42857142857144,12.142857142857142,3.142857142857143,2.142857142857143,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,144.0,4.999999999999999,8,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,41.9,28.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoCeO2,CoCeO2,bimetallic_oxide,2,"Ce, Co, O",-2.36,0.147,1.45,0.249,0.226,good,2,0.5,0.5,3,25.25,2.47,113.25,11.0,3.5,2.0,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,153.5,4.0,8,7,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,31.6,28.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoCeO3,CoCeO3,bimetallic_oxide,2,"Ce, Co, O",-2.14,0.215,1.63,0.322,0.295,good,2,0.6,0.4,3,21.8,2.664,105.2,12.0,3.2,1.6,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,153.5,4.0,8,7,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,51.6,33.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CoCeO4,CoCeO4,bimetallic_oxide,2,"Ce, Co, O",-3.17,0.076,1.87,0.475,0.272,excellent,3,0.6666666666666666,0.3333333333333333,3,19.5,2.793333333333333,99.83333333333331,12.666666666666666,3.0,1.3333333333333333,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,153.49999999999997,3.999999999999999,8,7,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,28.0,23.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiZn2O4,NiZn2O4,bimetallic_oxide,2,"Ni, O, Zn",-2.08,0.053,1.17,0.238,0.305,good,2,0.5714285714285714,0.4285714285714286,3,17.142857142857142,2.71,97.71428571428572,14.0,2.8571428571428568,4.0,3.44,1.65,1.79,134,73,61,30,8,1.91,1.65,0.26,130.66666666666666,9.333333333333332,18,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.2,33.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2ZnO4,Ni2ZnO4,bimetallic_oxide,2,"Ni, O, Zn",-2.83,0.092,1.61,0.459,0.202,good,2,0.5714285714285714,0.4285714285714286,3,16.857142857142858,2.747142857142857,96.28571428571428,13.714285714285714,2.8571428571428568,3.714285714285714,3.44,1.65,1.79,134,73,61,30,8,1.91,1.65,0.26,127.33333333333331,8.666666666666666,18,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.0,23.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiZnO2,NiZnO2,bimetallic_oxide,2,"Ni, O, Zn",-2.76,0.083,0.88,0.212,0.246,good,2,0.5,0.5,3,18.5,2.61,101.0,13.5,3.0,4.5,3.44,1.65,1.79,134,73,61,30,8,1.91,1.65,0.26,129.0,9.0,18,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,53.6,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiZnO3,NiZnO3,bimetallic_oxide,2,"Ni, O, Zn",-2.26,0.338,1.6,0.17,0.22,good,2,0.6,0.4,3,16.4,2.776,95.4,14.0,2.8,3.6,3.44,1.65,1.79,134,73,61,30,8,1.91,1.65,0.26,129.0,9.0,18,10,0.4,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.6,16.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiZnO4,NiZnO4,bimetallic_oxide,2,"Ni, O, Zn",-2.93,0.123,1.34,0.463,0.225,good,2,0.6666666666666666,0.3333333333333333,3,15.0,2.8866666666666663,91.66666666666666,14.333333333333332,2.6666666666666665,3.0,3.44,1.65,1.79,134,73,61,30,8,1.91,1.65,0.26,128.99999999999997,8.999999999999998,18,10,0.3333333333333333,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.7,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiNb2O4,NiNb2O4,bimetallic_oxide,2,"Nb, Ni, O",-2.99,0.117,0.84,0.335,0.311,good,2,0.5714285714285714,0.4285714285714286,3,20.285714285714285,2.6957142857142857,101.14285714285714,12.0,3.1428571428571423,2.2857142857142856,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,138.66666666666666,5.333333333333333,12,8,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,52.9,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2NbO4,Ni2NbO4,bimetallic_oxide,2,"Nb, Ni, O",-3.01,0.272,0.95,0.21,0.218,good,2,0.5714285714285714,0.4285714285714286,3,18.428571428571427,2.74,98.0,12.714285714285714,3.0,2.8571428571428568,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,131.33333333333331,6.666666666666666,12,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,55.1,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiNbO2,NiNbO2,bimetallic_oxide,2,"Nb, Ni, O",-2.34,0.08,1.34,0.237,0.294,good,2,0.5,0.5,3,21.25,2.5975,104.0,11.75,3.25,3.0,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,135.0,6.0,12,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.5,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiNbO3,NiNbO3,bimetallic_oxide,2,"Nb, Ni, O",-2.7,0.416,0.84,0.125,0.228,good,2,0.6,0.4,3,18.6,2.766,97.8,12.6,3.0,2.4000000000000004,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,135.0,6.0,12,8,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,42.5,49.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiNbO4,NiNbO4,bimetallic_oxide,2,"Nb, Ni, O",-2.41,0.073,1.49,0.354,0.3,good,2,0.6666666666666666,0.3333333333333333,3,16.833333333333332,2.878333333333333,93.66666666666666,13.166666666666666,2.833333333333333,2.0,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,134.99999999999997,5.999999999999999,12,8,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.7,33.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiRu2O4,NiRu2O4,bimetallic_oxide,2,"Ni, O, Ru",-2.3,0.181,1.09,0.233,0.313,good,2,0.5714285714285714,0.4285714285714286,3,21.142857142857142,2.867142857142857,97.71428571428572,12.857142857142856,3.1428571428571423,3.142857142857143,3.44,1.91,1.53,134,73,61,44,8,2.2,1.91,0.2900000000000002,130.66666666666666,7.333333333333332,15,8,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.6,31.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2RuO4,Ni2RuO4,bimetallic_oxide,2,"Ni, O, Ru",-2.8,0.067,0.71,0.191,0.266,good,2,0.5714285714285714,0.4285714285714286,3,18.857142857142858,2.8257142857142856,96.28571428571428,13.142857142857142,3.0,3.2857142857142856,3.44,1.91,1.53,134,73,61,44,8,2.2,1.91,0.2900000000000002,127.33333333333331,7.666666666666666,15,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,27.4,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiRuO2,NiRuO2,bimetallic_oxide,2,"Ni, O, Ru",-3.23,0.168,1.2,0.272,0.241,excellent,3,0.5,0.5,3,22.0,2.7475,101.0,12.5,3.25,3.75,3.44,1.91,1.53,134,73,61,44,8,2.2,1.91,0.2900000000000002,129.0,7.5,15,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,57.0,53.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiRuO3,NiRuO3,bimetallic_oxide,2,"Ni, O, Ru",-2.57,0.117,0.8,0.158,0.237,good,2,0.6,0.4,3,19.200000000000003,2.886,95.4,13.2,3.0,3.0,3.44,1.91,1.53,134,73,61,44,8,2.2,1.91,0.2900000000000002,129.0,7.5,15,8,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.5,42.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiRuO4,NiRuO4,bimetallic_oxide,2,"Ni, O, Ru",-3.09,0.19,1.25,0.195,0.23,good,2,0.6666666666666666,0.3333333333333333,3,17.333333333333332,2.978333333333333,91.66666666666666,13.666666666666666,2.833333333333333,2.5,3.44,1.91,1.53,134,73,61,44,8,2.2,1.91,0.2900000000000002,128.99999999999997,7.499999999999998,15,8,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,23.0,26.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPd2O4,NiPd2O4,bimetallic_oxide,2,"Ni, O, Pd",-3.14,0.006,0.56,0.412,0.213,good,2,0.5714285714285714,0.4285714285714286,3,21.714285714285715,2.867142857142857,98.57142857142856,13.428571428571429,3.1428571428571423,4.0,3.44,1.91,1.53,137,73,64,46,8,2.2,1.91,0.2900000000000002,132.66666666666663,9.333333333333332,18,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,48.1,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2PdO4,Ni2PdO4,bimetallic_oxide,2,"Ni, O, Pd",-1.94,0.538,1.06,0.321,0.269,good,2,0.5714285714285714,0.4285714285714286,3,19.142857142857142,2.8257142857142856,96.71428571428572,13.428571428571429,3.0,3.714285714285714,3.44,1.91,1.53,137,73,64,46,8,2.2,1.91,0.2900000000000002,128.33333333333331,8.666666666666666,18,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.2,40.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPdO2,NiPdO2,bimetallic_oxide,2,"Ni, O, Pd",-2.76,0.341,1.07,0.373,0.262,good,2,0.5,0.5,3,22.5,2.7475,101.75,13.0,3.25,4.5,3.44,1.91,1.53,137,73,64,46,8,2.2,1.91,0.2900000000000002,130.5,9.0,18,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.2,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPdO3,NiPdO3,bimetallic_oxide,2,"Ni, O, Pd",-2.55,0.2,1.43,0.38,0.236,good,2,0.6,0.4,3,19.6,2.886,96.0,13.6,3.0,3.6,3.44,1.91,1.53,137,73,64,46,8,2.2,1.91,0.2900000000000002,130.5,9.0,18,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.8,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPdO4,NiPdO4,bimetallic_oxide,2,"Ni, O, Pd",-3.17,0.689,0.86,0.329,0.34,good,2,0.6666666666666666,0.3333333333333333,3,17.666666666666664,2.978333333333333,92.16666666666666,14.0,2.833333333333333,3.0,3.44,1.91,1.53,137,73,64,46,8,2.2,1.91,0.2900000000000002,130.49999999999997,8.999999999999998,18,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.5,20.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiHf2O4,NiHf2O4,bimetallic_oxide,2,"Hf, Ni, O",-2.13,0.066,1.08,0.476,0.298,good,2,0.5714285714285714,0.4285714285714286,3,29.14285714285714,2.61,104.85714285714285,11.714285714285714,3.4285714285714284,1.7142857142857142,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,147.33333333333331,4.0,10,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,42.9,36.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2HfO4,Ni2HfO4,bimetallic_oxide,2,"Hf, Ni, O",-2.56,0.027,0.93,0.401,0.309,good,2,0.5714285714285714,0.4285714285714286,3,22.85714285714285,2.697142857142857,99.85714285714285,12.571428571428571,3.142857142857143,2.571428571428571,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,135.66666666666663,6.0,10,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.6,34.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiHfO2,NiHfO2,bimetallic_oxide,2,"Hf, Ni, O",-2.13,0.184,1.09,0.31,0.294,good,2,0.5,0.5,3,29.0,2.5225,107.25,11.5,3.5,2.5,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,141.5,5.0,10,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.8,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiHfO3,NiHfO3,bimetallic_oxide,2,"Hf, Ni, O",-2.56,0.294,1.22,0.401,0.224,good,2,0.6,0.4,3,24.8,2.706,100.4,12.4,3.2,2.0,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,141.5,5.0,10,8,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.8,23.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiHfO4,NiHfO4,bimetallic_oxide,2,"Hf, Ni, O",-2.88,0.197,0.54,0.338,0.203,good,2,0.6666666666666666,0.3333333333333333,3,22.0,2.828333333333333,95.83333333333331,13.0,3.0,1.6666666666666663,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,141.49999999999997,4.999999999999999,10,8,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,54.7,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiW2O4,NiW2O4,bimetallic_oxide,2,"Ni, O, W",-2.55,0.073,1.23,0.44,0.335,good,2,0.5714285714285714,0.4285714285714286,3,29.714285714285715,2.912857142857143,99.14285714285714,12.285714285714285,3.4285714285714284,2.2857142857142856,3.44,1.91,1.53,139,73,66,74,8,2.36,1.91,0.4499999999999999,133.99999999999997,5.333333333333333,12,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,34.9,61.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2WO4,Ni2WO4,bimetallic_oxide,2,"Ni, O, W",-3.27,0.105,0.95,0.316,0.273,good,2,0.5714285714285714,0.4285714285714286,3,23.142857142857142,2.8485714285714283,97.0,12.857142857142856,3.142857142857143,2.8571428571428568,3.44,1.91,1.53,139,73,66,74,8,2.36,1.91,0.4499999999999999,128.99999999999997,6.666666666666666,12,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,57.4,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiWO2,NiWO2,bimetallic_oxide,2,"Ni, O, W",-3.25,0.094,0.68,0.344,0.268,good,2,0.5,0.5,3,29.5,2.7875,102.25,12.0,3.5,3.0,3.44,1.91,1.53,139,73,66,74,8,2.36,1.91,0.4499999999999999,131.5,6.0,12,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,59.8,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiWO3,NiWO3,bimetallic_oxide,2,"Ni, O, W",-3.2,0.268,1.21,0.413,0.179,excellent,3,0.6,0.4,3,25.200000000000003,2.918,96.4,12.8,3.2,2.4000000000000004,3.44,1.91,1.53,139,73,66,74,8,2.36,1.91,0.4499999999999999,131.5,6.0,12,8,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.4,27.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiWO4,NiWO4,bimetallic_oxide,2,"Ni, O, W",-2.4,0.025,1.03,0.321,0.3,good,2,0.6666666666666666,0.3333333333333333,3,22.33333333333333,3.0049999999999994,92.5,13.333333333333332,3.0,2.0,3.44,1.91,1.53,139,73,66,74,8,2.36,1.91,0.4499999999999999,131.49999999999997,5.999999999999999,12,8,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.6,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiOs2O4,NiOs2O4,bimetallic_oxide,2,"Ni, O, Os",-3.11,0.3,0.78,0.355,0.325,good,2,0.5714285714285714,0.4285714285714286,3,30.285714285714285,2.867142857142857,98.0,12.857142857142856,3.4285714285714284,2.8571428571428568,3.44,1.91,1.53,135,73,62,76,8,2.2,1.91,0.2900000000000002,131.33333333333331,6.666666666666666,14,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,35.8,50.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2OsO4,Ni2OsO4,bimetallic_oxide,2,"Ni, O, Os",-2.83,0.008,0.73,0.179,0.26,good,2,0.5714285714285714,0.4285714285714286,3,23.428571428571427,2.8257142857142856,96.42857142857142,13.142857142857142,3.142857142857143,3.142857142857143,3.44,1.91,1.53,135,73,62,76,8,2.2,1.91,0.2900000000000002,127.66666666666664,7.333333333333333,14,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.7,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiOsO2,NiOsO2,bimetallic_oxide,2,"Ni, O, Os",-2.81,0.081,1.23,0.307,0.234,good,2,0.5,0.5,3,30.0,2.7475,101.25,12.5,3.5,3.5,3.44,1.91,1.53,135,73,62,76,8,2.2,1.91,0.2900000000000002,129.5,7.0,14,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,28.8,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiOsO3,NiOsO3,bimetallic_oxide,2,"Ni, O, Os",-3.48,0.166,1.19,0.372,0.336,excellent,3,0.6,0.4,3,25.6,2.886,95.6,13.2,3.2,2.8000000000000003,3.44,1.91,1.53,135,73,62,76,8,2.2,1.91,0.2900000000000002,129.5,7.0,14,8,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,52.3,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiOsO4,NiOsO4,bimetallic_oxide,2,"Ni, O, Os",-2.72,0.609,0.47,0.164,0.234,good,2,0.6666666666666666,0.3333333333333333,3,22.666666666666664,2.978333333333333,91.83333333333331,13.666666666666666,3.0,2.333333333333333,3.44,1.91,1.53,135,73,62,76,8,2.2,1.91,0.2900000000000002,129.49999999999997,6.999999999999999,14,8,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.3,42.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPt2O4,NiPt2O4,bimetallic_oxide,2,"Ni, O, Pt",-2.9,0.011,0.62,0.303,0.251,good,2,0.5714285714285714,0.4285714285714286,3,30.85714285714285,2.89,99.14285714285714,13.428571428571429,3.4285714285714284,3.714285714285714,3.44,1.91,1.53,139,73,66,78,8,2.28,1.91,0.3699999999999999,133.99999999999997,8.666666666666666,17,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,46.7,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2PtO4,Ni2PtO4,bimetallic_oxide,2,"Ni, O, Pt",-2.54,0.16,1.09,0.434,0.371,good,2,0.5714285714285714,0.4285714285714286,3,23.714285714285715,2.8371428571428567,97.0,13.428571428571429,3.142857142857143,3.571428571428571,3.44,1.91,1.53,139,73,66,78,8,2.28,1.91,0.3699999999999999,128.99999999999997,8.333333333333332,17,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.6,47.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPtO2,NiPtO2,bimetallic_oxide,2,"Ni, O, Pt",-2.99,0.178,0.56,0.294,0.229,good,2,0.5,0.5,3,30.5,2.7675,102.25,13.0,3.5,4.25,3.44,1.91,1.53,139,73,66,78,8,2.28,1.91,0.3699999999999999,131.5,8.5,17,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,53.6,18.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPtO3,NiPtO3,bimetallic_oxide,2,"Ni, O, Pt",-2.58,0.113,0.71,0.311,0.262,good,2,0.6,0.4,3,26.0,2.902,96.4,13.6,3.2,3.4000000000000004,3.44,1.91,1.53,139,73,66,78,8,2.28,1.91,0.3699999999999999,131.5,8.5,17,9,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.9,52.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiPtO4,NiPtO4,bimetallic_oxide,2,"Ni, O, Pt",-2.56,0.52,1.5,0.282,0.277,good,2,0.6666666666666666,0.3333333333333333,3,23.0,2.9916666666666663,92.5,14.0,3.0,2.833333333333333,3.44,1.91,1.53,139,73,66,78,8,2.28,1.91,0.3699999999999999,131.49999999999997,8.499999999999998,17,9,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,24.6,37.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiAl2O4,NiAl2O4,bimetallic_oxide,2,"Al, Ni, O",-2.69,0.164,2.7,0.209,0.364,excellent,3,0.5714285714285714,0.4285714285714286,3,12.285714285714285,2.6985714285714284,93.14285714285714,14.285714285714285,2.571428571428571,1.1428571428571428,3.44,1.61,1.83,124,73,51,28,8,1.91,1.61,0.2999999999999998,119.99999999999996,2.6666666666666665,8,8,0.4285714285714285,0.0,0.0,0.2857142857142857,0,0,0.0,True,False,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,21.8,45.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2AlO4,Ni2AlO4,bimetallic_oxide,2,"Al, Ni, O",-2.85,0.192,2.11,0.339,0.367,excellent,3,0.5714285714285714,0.4285714285714286,3,14.428571428571429,2.741428571428571,94.0,13.857142857142856,2.714285714285714,2.2857142857142856,3.44,1.61,1.83,124,73,51,28,8,1.91,1.61,0.2999999999999998,121.99999999999996,5.333333333333333,8,8,0.4285714285714285,0.0,0.0,0.1428571428571428,0,0,0.0,True,False,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,43.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiAlO2,NiAlO2,bimetallic_oxide,2,"Al, Ni, O",-2.23,0.031,1.85,0.352,0.194,good,2,0.5,0.5,3,14.25,2.6,97.0,13.75,2.75,2.0,3.44,1.61,1.83,124,73,51,28,8,1.91,1.61,0.2999999999999998,121.0,4.0,8,8,0.5,0.0,0.0,0.25,0,0,0.0,True,False,False,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,37.6,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiAlO3,NiAlO3,bimetallic_oxide,2,"Al, Ni, O",-2.47,0.124,2.57,0.363,0.34,excellent,3,0.6,0.4,3,13.0,2.768,92.2,14.2,2.6,1.6,3.44,1.61,1.83,124,73,51,28,8,1.91,1.61,0.2999999999999998,121.0,4.0,8,8,0.4,0.0,0.0,0.2,0,0,0.0,True,False,False,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,44.7,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiAlO4,NiAlO4,bimetallic_oxide,2,"Al, Ni, O",-2.57,0.069,1.86,0.346,0.312,good,2,0.6666666666666666,0.3333333333333333,3,12.166666666666666,2.8799999999999994,89.0,14.5,2.5,1.3333333333333333,3.44,1.61,1.83,124,73,51,28,8,1.91,1.61,0.2999999999999998,120.99999999999996,4.0,8,8,0.3333333333333333,0.0,0.0,0.1666666666666666,0,0,0.0,True,False,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.4,29.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiBi2O4,NiBi2O4,bimetallic_oxide,2,"Bi, Ni, O",-3.23,0.029,1.17,0.455,0.308,excellent,3,0.5714285714285714,0.4285714285714286,3,32.285714285714285,2.8157142857142854,100.28571428571428,14.857142857142856,3.4285714285714284,4.0,3.44,1.91,1.53,143,73,70,83,8,2.02,1.91,0.1100000000000001,136.66666666666663,9.333333333333332,18,10,0.1428571428571428,0.0,0.2857142857142857,0.2857142857142857,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,44.4,11.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2BiO4,Ni2BiO4,bimetallic_oxide,2,"Bi, Ni, O",-2.24,0.037,0.91,0.471,0.243,good,2,0.5714285714285714,0.4285714285714286,3,24.428571428571427,2.8,97.57142857142856,14.142857142857142,3.142857142857143,3.714285714285714,3.44,1.91,1.53,143,73,70,83,8,2.02,1.91,0.1100000000000001,130.33333333333331,8.666666666666666,18,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,56.9,72.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiBiO2,NiBiO2,bimetallic_oxide,2,"Bi, Ni, O",-3.02,0.0,1.12,0.258,0.193,good,2,0.5,0.5,3,31.75,2.7025,103.25,14.25,3.5,4.5,3.44,1.91,1.53,143,73,70,83,8,2.02,1.91,0.1100000000000001,133.5,9.0,18,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.7,11.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiBiO3,NiBiO3,bimetallic_oxide,2,"Bi, Ni, O",-1.87,0.113,0.82,0.385,0.277,good,2,0.6,0.4,3,27.0,2.85,97.2,14.6,3.2,3.6,3.44,1.91,1.53,143,73,70,83,8,2.02,1.91,0.1100000000000001,133.5,9.0,18,10,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,5.0,20.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiBiO4,NiBiO4,bimetallic_oxide,2,"Bi, Ni, O",-3.02,0.019,0.74,0.319,0.237,good,2,0.6666666666666666,0.3333333333333333,3,23.83333333333333,2.948333333333333,93.16666666666666,14.833333333333332,3.0,3.0,3.44,1.91,1.53,143,73,70,83,8,2.02,1.91,0.1100000000000001,133.49999999999997,8.999999999999998,18,10,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,37.1,31.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiCe2O4,NiCe2O4,bimetallic_oxide,2,"Ce, Ni, O",-2.23,0.172,1.48,0.351,0.314,good,2,0.5714285714285714,0.4285714285714286,3,25.14285714285714,2.5585714285714283,111.42857142857144,11.428571428571429,3.4285714285714284,1.4285714285714284,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,162.66666666666666,3.333333333333333,9,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,44.3,57.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ni2CeO4,Ni2CeO4,bimetallic_oxide,2,"Ce, Ni, O",-2.11,0.125,0.85,0.229,0.323,good,2,0.5714285714285714,0.4285714285714286,3,20.85714285714285,2.6714285714285717,103.14285714285714,12.428571428571429,3.142857142857143,2.4285714285714284,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,143.33333333333331,5.666666666666666,9,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,46.0,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiCeO2,NiCeO2,bimetallic_oxide,2,"Ce, Ni, O",-2.34,0.064,1.03,0.199,0.259,good,2,0.5,0.5,3,25.5,2.4775,113.0,11.25,3.5,2.25,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,153.0,4.5,9,8,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,5.0,28.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiCeO3,NiCeO3,bimetallic_oxide,2,"Ce, Ni, O",-2.02,0.428,0.67,0.398,0.296,good,2,0.6,0.4,3,22.0,2.67,105.0,12.2,3.2,1.8,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,153.0,4.5,9,8,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,21.6,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NiCeO4,NiCeO4,bimetallic_oxide,2,"Ce, Ni, O",-2.34,0.117,2.3,0.347,0.38,good,2,0.6666666666666666,0.3333333333333333,3,19.666666666666664,2.798333333333333,99.66666666666666,12.833333333333332,3.0,1.5,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,152.99999999999997,4.499999999999999,9,8,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,25.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuZr2O4,CuZr2O4,bimetallic_oxide,2,"Cu, O, Zr",-2.64,0.079,1.49,0.397,0.319,good,2,0.5714285714285714,0.4285714285714286,3,20.14285714285714,2.617142857142857,105.71428571428572,11.857142857142856,3.1428571428571423,2.0,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,149.33333333333331,4.666666666666666,12,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,61.8,17.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2ZrO4,Cu2ZrO4,bimetallic_oxide,2,"Cu, O, Zr",-2.59,0.371,0.92,0.354,0.229,good,2,0.5714285714285714,0.4285714285714286,3,18.57142857142857,2.6985714285714284,101.14285714285714,12.857142857142856,3.0,3.1428571428571423,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,138.66666666666666,7.333333333333332,12,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,8.6,17.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuZrO2,CuZrO2,bimetallic_oxide,2,"Cu, O, Zr",-2.27,0.082,1.45,0.278,0.181,good,2,0.5,0.5,3,21.25,2.5275,108.5,11.75,3.25,3.0,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,144.0,6.0,12,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.6,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuZrO3,CuZrO3,bimetallic_oxide,2,"Cu, O, Zr",-2.99,0.102,0.89,0.481,0.331,good,2,0.6,0.4,3,18.6,2.71,101.4,12.6,3.0,2.4,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,144.0,6.0,12,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.6,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuZrO4,CuZrO4,bimetallic_oxide,2,"Cu, O, Zr",-2.62,0.13,1.17,0.224,0.218,good,2,0.6666666666666666,0.3333333333333333,3,16.833333333333332,2.831666666666666,96.66666666666666,13.166666666666666,2.833333333333333,2.0,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,143.99999999999997,5.999999999999999,12,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,72.2,22.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuMo2O4,CuMo2O4,bimetallic_oxide,2,"Cu, Mo, O",-2.86,0.058,0.77,0.494,0.163,good,2,0.5714285714285714,0.4285714285714286,3,20.714285714285715,2.854285714285714,99.71428571428572,12.428571428571429,3.1428571428571423,2.8571428571428568,3.44,1.9,1.54,139,73,66,42,8,2.16,1.9,0.2600000000000002,135.33333333333331,6.666666666666665,15,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.3,45.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2MoO4,Cu2MoO4,bimetallic_oxide,2,"Cu, Mo, O",-3.06,0.117,1.64,0.268,0.269,excellent,3,0.5714285714285714,0.4285714285714286,3,18.85714285714285,2.8171428571428567,98.14285714285714,13.142857142857142,3.0,3.571428571428571,3.44,1.9,1.54,139,73,66,42,8,2.16,1.9,0.2600000000000002,131.66666666666666,8.333333333333332,15,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.4,20.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuMoO2,CuMoO2,bimetallic_oxide,2,"Cu, Mo, O",-3.23,0.19,0.87,0.234,0.254,good,2,0.5,0.5,3,21.75,2.735,103.25,12.25,3.25,3.75,3.44,1.9,1.54,139,73,66,42,8,2.16,1.9,0.2600000000000002,133.5,7.5,15,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.6,14.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuMoO3,CuMoO3,bimetallic_oxide,2,"Cu, Mo, O",-2.56,0.302,0.36,0.274,0.293,good,2,0.6,0.4,3,19.0,2.8760000000000003,97.2,13.0,3.0,3.0,3.44,1.9,1.54,139,73,66,42,8,2.16,1.9,0.2600000000000002,133.5,7.5,15,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.3,12.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuMoO4,CuMoO4,bimetallic_oxide,2,"Cu, Mo, O",-3.22,0.105,0.88,0.312,0.242,good,2,0.6666666666666666,0.3333333333333333,3,17.166666666666664,2.97,93.16666666666666,13.5,2.833333333333333,2.5,3.44,1.9,1.54,139,73,66,42,8,2.16,1.9,0.2600000000000002,133.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.7,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuRh2O4,CuRh2O4,bimetallic_oxide,2,"Cu, O, Rh",-2.39,0.223,0.99,0.341,0.252,good,2,0.5714285714285714,0.4285714285714286,3,21.57142857142857,2.8885714285714283,98.28571428571428,13.285714285714285,3.1428571428571423,3.714285714285714,3.44,1.9,1.54,134,73,61,45,8,2.28,1.9,0.3799999999999999,132.0,8.666666666666666,18,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,35.5,45.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2RhO4,Cu2RhO4,bimetallic_oxide,2,"Cu, O, Rh",-1.97,0.045,0.63,0.5,0.161,good,2,0.5714285714285714,0.4285714285714286,3,19.285714285714285,2.834285714285714,97.42857142857144,13.571428571428571,3.0,4.0,3.44,1.9,1.54,134,73,61,45,8,2.28,1.9,0.3799999999999999,130.0,9.333333333333332,18,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.8,10.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuRhO2,CuRhO2,bimetallic_oxide,2,"Cu, O, Rh",-2.96,0.232,1.02,0.294,0.229,good,2,0.5,0.5,3,22.5,2.765,102.0,13.0,3.25,4.5,3.44,1.9,1.54,134,73,61,45,8,2.28,1.9,0.3799999999999999,131.0,9.0,18,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.2,27.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuRhO3,CuRhO3,bimetallic_oxide,2,"Cu, O, Rh",-3.11,0.429,0.58,0.31,0.16,good,2,0.6,0.4,3,19.6,2.9,96.2,13.6,3.0,3.6,3.44,1.9,1.54,134,73,61,45,8,2.28,1.9,0.3799999999999999,131.0,9.0,18,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.4,44.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuRhO4,CuRhO4,bimetallic_oxide,2,"Cu, O, Rh",-2.71,0.049,0.95,0.28,0.317,good,2,0.6666666666666666,0.3333333333333333,3,17.666666666666664,2.99,92.33333333333331,14.0,2.833333333333333,3.0,3.44,1.9,1.54,134,73,61,45,8,2.28,1.9,0.3799999999999999,130.99999999999997,8.999999999999998,18,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.5,34.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAg2O4,CuAg2O4,bimetallic_oxide,2,"Ag, Cu, O",-3.14,0.098,0.77,0.292,0.259,good,2,0.5714285714285714,0.4285714285714286,3,22.14285714285714,2.7885714285714283,101.14285714285714,13.857142857142856,3.1428571428571423,4.285714285714285,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,138.66666666666666,9.999999999999998,20,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,27.1,48.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2AgO4,Cu2AgO4,bimetallic_oxide,2,"Ag, Cu, O",-2.93,0.057,1.08,0.334,0.153,good,2,0.5714285714285714,0.4285714285714286,3,19.57142857142857,2.784285714285714,98.85714285714286,13.857142857142856,3.0,4.285714285714285,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,133.33333333333331,9.999999999999998,20,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.2,20.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAgO2,CuAgO2,bimetallic_oxide,2,"Ag, Cu, O",-3.74,0.019,0.64,0.284,0.155,excellent,3,0.5,0.5,3,23.0,2.6775,104.5,13.5,3.25,5.0,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,136.0,10.0,20,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,54.2,13.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAgO3,CuAgO3,bimetallic_oxide,2,"Ag, Cu, O",-2.75,0.235,0.96,0.237,0.314,good,2,0.6,0.4,3,20.0,2.83,98.2,14.0,3.0,4.0,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,136.0,10.0,20,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,67.0,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAgO4,CuAgO4,bimetallic_oxide,2,"Ag, Cu, O",-2.3,0.138,0.72,0.152,0.289,good,2,0.6666666666666666,0.3333333333333333,3,18.0,2.931666666666666,94.0,14.333333333333332,2.833333333333333,3.333333333333333,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,135.99999999999997,9.999999999999998,20,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,59.2,41.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuTa2O4,CuTa2O4,bimetallic_oxide,2,"Cu, O, Ta",-2.69,0.116,1.31,0.376,0.31,good,2,0.5714285714285714,0.4285714285714286,3,29.57142857142857,2.665714285714285,101.71428571428572,12.142857142857142,3.4285714285714284,2.2857142857142856,3.44,1.5,1.94,146,73,73,73,8,1.9,1.5,0.3999999999999999,140.0,5.333333333333332,13,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.7,32.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2TaO4,Cu2TaO4,bimetallic_oxide,2,"Cu, O, Ta",-3.17,0.188,1.3,0.355,0.259,excellent,3,0.5714285714285714,0.4285714285714286,3,23.285714285714285,2.7228571428571424,99.14285714285714,13.0,3.142857142857143,3.285714285714285,3.44,1.5,1.94,146,73,73,73,8,1.9,1.5,0.3999999999999999,134.0,7.666666666666665,13,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,62.2,60.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuTaO2,CuTaO2,bimetallic_oxide,2,"Cu, O, Ta",-2.7,0.384,0.59,0.36,0.283,good,2,0.5,0.5,3,29.5,2.57,105.0,12.0,3.5,3.25,3.44,1.5,1.94,146,73,73,73,8,1.9,1.5,0.3999999999999999,137.0,6.5,13,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.0,16.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuTaO3,CuTaO3,bimetallic_oxide,2,"Cu, O, Ta",-2.93,0.34,0.99,0.345,0.321,good,2,0.6,0.4,3,25.200000000000003,2.744,98.6,12.8,3.2,2.6,3.44,1.5,1.94,146,73,73,73,8,1.9,1.5,0.3999999999999999,137.0,6.5,13,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.4,30.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuTaO4,CuTaO4,bimetallic_oxide,2,"Cu, O, Ta",-2.48,0.055,1.13,0.31,0.226,good,2,0.6666666666666666,0.3333333333333333,3,22.33333333333333,2.8599999999999994,94.33333333333331,13.333333333333332,3.0,2.1666666666666665,3.44,1.5,1.94,146,73,73,73,8,1.9,1.5,0.3999999999999999,136.99999999999997,6.499999999999999,13,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,48.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuRe2O4,CuRe2O4,bimetallic_oxide,2,"Cu, O, Re",-2.59,0.029,1.14,0.381,0.341,good,2,0.5714285714285714,0.4285714285714286,3,30.14285714285714,2.78,99.14285714285714,12.714285714285714,3.4285714285714284,2.8571428571428568,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,133.99999999999997,6.666666666666665,15,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.6,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2ReO4,Cu2ReO4,bimetallic_oxide,2,"Cu, O, Re",-3.31,0.307,1.08,0.409,0.33,excellent,3,0.5714285714285714,0.4285714285714286,3,23.57142857142857,2.78,97.85714285714286,13.285714285714285,3.142857142857143,3.571428571428571,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,131.0,8.333333333333332,15,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.2,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuReO2,CuReO2,bimetallic_oxide,2,"Cu, O, Re",-3.66,0.113,1.15,0.295,0.378,excellent,3,0.5,0.5,3,30.0,2.67,102.75,12.5,3.5,3.75,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,132.5,7.5,15,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.0,14.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuReO3,CuReO3,bimetallic_oxide,2,"Cu, O, Re",-2.6,0.031,0.75,0.461,0.304,good,2,0.6,0.4,3,25.6,2.824,96.8,13.2,3.2,3.0,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,132.5,7.5,15,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,29.1,22.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuReO4,CuReO4,bimetallic_oxide,2,"Cu, O, Re",-3.18,0.02,0.82,0.228,0.29,good,2,0.6666666666666666,0.3333333333333333,3,22.666666666666664,2.9266666666666663,92.83333333333331,13.666666666666666,3.0,2.5,3.44,1.9,1.54,137,73,64,75,8,1.9,1.9,0.0,132.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.5,20.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuIr2O4,CuIr2O4,bimetallic_oxide,2,"Cu, Ir, O",-2.9,0.116,0.67,0.275,0.257,good,2,0.5714285714285714,0.4285714285714286,3,30.714285714285715,2.8657142857142857,98.85714285714286,13.285714285714285,3.4285714285714284,3.4285714285714284,3.44,1.9,1.54,136,73,63,77,8,2.2,1.9,0.3000000000000002,133.33333333333331,7.999999999999998,17,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,28.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2IrO4,Cu2IrO4,bimetallic_oxide,2,"Cu, Ir, O",-3.27,0.002,0.94,0.453,0.163,good,2,0.5714285714285714,0.4285714285714286,3,23.85714285714285,2.8228571428571425,97.71428571428572,13.571428571428571,3.142857142857143,3.8571428571428568,3.44,1.9,1.54,136,73,63,77,8,2.2,1.9,0.3000000000000002,130.66666666666666,8.999999999999998,17,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,58.6,49.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuIrO2,CuIrO2,bimetallic_oxide,2,"Cu, Ir, O",-2.84,0.143,1.13,0.363,0.219,good,2,0.5,0.5,3,30.5,2.745,102.5,13.0,3.5,4.25,3.44,1.9,1.54,136,73,63,77,8,2.2,1.9,0.3000000000000002,132.0,8.5,17,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.9,35.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuIrO3,CuIrO3,bimetallic_oxide,2,"Cu, Ir, O",-2.37,0.043,1.16,0.399,0.189,good,2,0.6,0.4,3,26.0,2.8840000000000003,96.6,13.6,3.2,3.4000000000000004,3.44,1.9,1.54,136,73,63,77,8,2.2,1.9,0.3000000000000002,132.0,8.5,17,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.2,58.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuIrO4,CuIrO4,bimetallic_oxide,2,"Cu, Ir, O",-2.57,0.067,1.56,0.37,0.311,good,2,0.6666666666666666,0.3333333333333333,3,23.0,2.9766666666666666,92.66666666666666,14.0,3.0,2.833333333333333,3.44,1.9,1.54,136,73,63,77,8,2.2,1.9,0.3000000000000002,131.99999999999997,8.499999999999998,17,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.8,56.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAu2O4,CuAu2O4,bimetallic_oxide,2,"Au, Cu, O",-3.54,0.059,0.91,0.402,0.218,excellent,3,0.5714285714285714,0.4285714285714286,3,31.285714285714285,2.962857142857142,101.14285714285714,13.857142857142856,3.4285714285714284,4.285714285714285,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,138.66666666666666,9.999999999999998,20,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,41.6,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2AuO4,Cu2AuO4,bimetallic_oxide,2,"Au, Cu, O",-3.05,0.09,0.53,0.188,0.181,good,2,0.5714285714285714,0.4285714285714286,3,24.14285714285714,2.871428571428571,98.85714285714286,13.857142857142856,3.142857142857143,4.285714285714285,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,133.33333333333331,9.999999999999998,20,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.7,14.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAuO2,CuAuO2,bimetallic_oxide,2,"Au, Cu, O",-3.75,0.051,1.36,0.248,0.278,excellent,3,0.5,0.5,3,31.0,2.83,104.5,13.5,3.5,5.0,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,136.0,10.0,20,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,58.4,30.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAuO3,CuAuO3,bimetallic_oxide,2,"Au, Cu, O",-2.43,0.395,1.42,0.402,0.15,good,2,0.6,0.4,3,26.4,2.952,98.2,14.0,3.2,4.0,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,136.0,10.0,20,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.0,33.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuAuO4,CuAuO4,bimetallic_oxide,2,"Au, Cu, O",-2.46,0.107,0.81,0.281,0.221,good,2,0.6666666666666666,0.3333333333333333,3,23.33333333333333,3.033333333333333,94.0,14.333333333333332,3.0,3.333333333333333,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,135.99999999999997,9.999999999999998,20,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,12.4,42.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuSn2O4,CuSn2O4,bimetallic_oxide,2,"Cu, O, Sn",-2.85,0.037,0.71,0.138,0.249,good,2,0.5714285714285714,0.4285714285714286,3,23.0,2.7971428571428567,101.42857142857142,14.714285714285714,3.1428571428571423,4.285714285714285,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,139.33333333333331,9.999999999999998,20,10,0.1428571428571428,0.2857142857142857,0.0,0.2857142857142857,0,0,0.0,True,True,False,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,17.0,21.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2SnO4,Cu2SnO4,bimetallic_oxide,2,"Cu, O, Sn",-3.01,0.027,0.96,0.287,0.335,good,2,0.5714285714285714,0.4285714285714286,3,20.0,2.7885714285714283,99.0,14.285714285714285,3.0,4.285714285714285,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,133.66666666666666,9.999999999999998,20,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,66.9,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuSnO2,CuSnO2,bimetallic_oxide,2,"Cu, O, Sn",-2.69,0.325,0.42,0.243,0.199,good,2,0.5,0.5,3,23.75,2.685,104.75,14.25,3.25,5.0,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,136.5,10.0,20,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,18.3,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuSnO3,CuSnO3,bimetallic_oxide,2,"Cu, O, Sn",-2.81,0.088,0.74,0.229,0.271,good,2,0.6,0.4,3,20.6,2.8360000000000003,98.4,14.6,3.0,4.0,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,136.5,10.0,20,10,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,57.6,18.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuSnO4,CuSnO4,bimetallic_oxide,2,"Cu, O, Sn",-2.83,0.151,1.27,0.256,0.259,good,2,0.6666666666666666,0.3333333333333333,3,18.5,2.9366666666666665,94.16666666666666,14.833333333333332,2.833333333333333,3.333333333333333,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,136.49999999999997,9.999999999999998,20,10,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,7.3,10.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuLa2O4,CuLa2O4,bimetallic_oxide,2,"Cu, La, O",-2.71,0.152,1.0,0.323,0.305,good,2,0.5714285714285714,0.4285714285714286,3,25.0,2.551428571428571,113.42857142857142,11.571428571428571,3.4285714285714284,1.714285714285714,3.44,1.1,2.34,187,73,114,57,8,1.9,1.1,0.7999999999999998,167.33333333333331,3.999999999999999,11,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,40.2,43.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Cu2LaO4,Cu2LaO4,bimetallic_oxide,2,"Cu, La, O",-2.29,0.182,1.45,0.292,0.273,good,2,0.5714285714285714,0.4285714285714286,3,21.0,2.665714285714285,105.0,12.714285714285714,3.142857142857143,3.0,3.44,1.1,2.34,187,73,114,57,8,1.9,1.1,0.7999999999999998,147.66666666666666,6.999999999999998,11,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,47.9,42.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuLaO2,CuLaO2,bimetallic_oxide,2,"Cu, La, O",-2.92,0.207,1.32,0.191,0.304,good,2,0.5,0.5,3,25.5,2.47,115.25,11.5,3.5,2.75,3.44,1.1,2.34,187,73,114,57,8,1.9,1.1,0.7999999999999998,157.5,5.5,11,10,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,65.3,44.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuLaO3,CuLaO3,bimetallic_oxide,2,"Cu, La, O",-3.47,0.177,1.22,0.292,0.26,excellent,3,0.6,0.4,3,22.0,2.664,106.8,12.4,3.2,2.2,3.44,1.1,2.34,187,73,114,57,8,1.9,1.1,0.7999999999999998,157.5,5.5,11,10,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,23.1,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_CuLaO4,CuLaO4,bimetallic_oxide,2,"Cu, La, O",-2.14,0.006,0.98,0.283,0.306,good,2,0.6666666666666666,0.3333333333333333,3,19.666666666666664,2.793333333333333,101.16666666666666,13.0,3.0,1.8333333333333333,3.44,1.1,2.34,187,73,114,57,8,1.9,1.1,0.7999999999999998,157.49999999999997,5.499999999999999,11,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,51.4,19.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnZr2O4,ZnZr2O4,bimetallic_oxide,2,"O, Zn, Zr",-2.35,0.106,1.35,0.331,0.351,good,2,0.5714285714285714,0.4285714285714286,3,20.285714285714285,2.5814285714285714,106.57142857142856,12.0,3.1428571428571423,2.0,3.44,1.33,2.11,160,73,87,40,8,1.65,1.33,0.3199999999999998,151.33333333333331,4.666666666666666,12,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,46.5,8.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2ZrO4,Zn2ZrO4,bimetallic_oxide,2,"O, Zn, Zr",-1.64,0.086,0.99,0.43,0.239,good,2,0.5714285714285714,0.4285714285714286,3,18.85714285714285,2.627142857142857,102.85714285714286,13.142857142857142,3.0,3.1428571428571423,3.44,1.33,2.11,160,73,87,40,8,1.65,1.33,0.3199999999999998,142.66666666666666,7.333333333333332,12,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,7.6,16.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnZrO2,ZnZrO2,bimetallic_oxide,2,"O, Zn, Zr",-2.5,0.385,1.14,0.464,0.279,good,2,0.5,0.5,3,21.5,2.465,110.0,12.0,3.25,3.0,3.44,1.33,2.11,160,73,87,40,8,1.65,1.33,0.3199999999999998,147.0,6.0,12,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.2,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnZrO3,ZnZrO3,bimetallic_oxide,2,"O, Zn, Zr",-2.38,0.11,1.24,0.337,0.327,good,2,0.6,0.4,3,18.8,2.66,102.6,12.8,3.0,2.4,3.44,1.33,2.11,160,73,87,40,8,1.65,1.33,0.3199999999999998,147.0,6.0,12,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.5,25.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnZrO4,ZnZrO4,bimetallic_oxide,2,"O, Zn, Zr",-2.39,0.091,0.79,0.329,0.232,good,2,0.6666666666666666,0.3333333333333333,3,17.0,2.79,97.66666666666666,13.333333333333332,2.833333333333333,2.0,3.44,1.33,2.11,160,73,87,40,8,1.65,1.33,0.3199999999999998,146.99999999999997,5.999999999999999,12,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,45.1,27.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnMo2O4,ZnMo2O4,bimetallic_oxide,2,"Mo, O, Zn",-2.02,0.099,1.18,0.32,0.312,good,2,0.5714285714285714,0.4285714285714286,3,20.857142857142858,2.8185714285714285,100.57142857142856,12.571428571428571,3.1428571428571423,2.8571428571428568,3.44,1.65,1.79,139,73,66,42,8,2.16,1.65,0.5100000000000002,137.33333333333331,6.666666666666665,15,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,65.5,48.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2MoO4,Zn2MoO4,bimetallic_oxide,2,"Mo, O, Zn",-3.2,0.042,0.59,0.283,0.412,good,2,0.5714285714285714,0.4285714285714286,3,19.142857142857142,2.7457142857142856,99.85714285714286,13.428571428571429,3.0,3.571428571428571,3.44,1.65,1.79,139,73,66,42,8,2.16,1.65,0.5100000000000002,135.66666666666666,8.333333333333332,15,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,42.7,44.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnMoO2,ZnMoO2,bimetallic_oxide,2,"Mo, O, Zn",-1.81,0.085,0.93,0.415,0.223,good,2,0.5,0.5,3,22.0,2.6725,104.75,12.5,3.25,3.75,3.44,1.65,1.79,139,73,66,42,8,2.16,1.65,0.5100000000000002,136.5,7.5,15,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,55.9,37.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnMoO3,ZnMoO3,bimetallic_oxide,2,"Mo, O, Zn",-2.39,0.067,0.71,0.133,0.205,good,2,0.6,0.4,3,19.2,2.826,98.4,13.2,3.0,3.0,3.44,1.65,1.79,139,73,66,42,8,2.16,1.65,0.5100000000000002,136.5,7.5,15,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,29.9,32.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnMoO4,ZnMoO4,bimetallic_oxide,2,"Mo, O, Zn",-3.21,0.02,1.21,0.231,0.309,excellent,3,0.6666666666666666,0.3333333333333333,3,17.333333333333332,2.928333333333333,94.16666666666666,13.666666666666666,2.833333333333333,2.5,3.44,1.65,1.79,139,73,66,42,8,2.16,1.65,0.5100000000000002,136.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,12.8,21.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnRh2O4,ZnRh2O4,bimetallic_oxide,2,"O, Rh, Zn",-2.66,0.091,0.51,0.305,0.15,good,2,0.5714285714285714,0.4285714285714286,3,21.71428571428571,2.8528571428571428,99.14285714285714,13.428571428571429,3.1428571428571423,3.714285714285714,3.44,1.65,1.79,134,73,61,45,8,2.28,1.65,0.6299999999999999,134.0,8.666666666666666,18,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,58.5,35.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2RhO4,Zn2RhO4,bimetallic_oxide,2,"O, Rh, Zn",-2.62,0.066,0.94,0.271,0.272,good,2,0.5714285714285714,0.4285714285714286,3,19.57142857142857,2.7628571428571425,99.14285714285714,13.857142857142856,3.0,4.0,3.44,1.65,1.79,134,73,61,45,8,2.28,1.65,0.6299999999999999,134.0,9.333333333333332,18,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.6,9.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnRhO2,ZnRhO2,bimetallic_oxide,2,"O, Rh, Zn",-2.56,0.539,1.33,0.205,0.263,good,2,0.5,0.5,3,22.75,2.7025,103.5,13.25,3.25,4.5,3.44,1.65,1.79,134,73,61,45,8,2.28,1.65,0.6299999999999999,134.0,9.0,18,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.2,48.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnRhO3,ZnRhO3,bimetallic_oxide,2,"O, Rh, Zn",-3.93,0.574,1.69,0.421,0.266,excellent,3,0.6,0.4,3,19.8,2.85,97.4,13.8,3.0,3.6,3.44,1.65,1.79,134,73,61,45,8,2.28,1.65,0.6299999999999999,134.0,9.0,18,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,34.6,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnRhO4,ZnRhO4,bimetallic_oxide,2,"O, Rh, Zn",-2.94,0.144,1.02,0.235,0.232,good,2,0.6666666666666666,0.3333333333333333,3,17.833333333333332,2.948333333333333,93.33333333333331,14.166666666666666,2.833333333333333,3.0,3.44,1.65,1.79,134,73,61,45,8,2.28,1.65,0.6299999999999999,133.99999999999997,8.999999999999998,18,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAg2O4,ZnAg2O4,bimetallic_oxide,2,"Ag, O, Zn",-2.2,0.188,1.2,0.159,0.212,good,2,0.5714285714285714,0.4285714285714286,3,22.285714285714285,2.7528571428571427,102.0,14.0,3.1428571428571423,4.285714285714285,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,140.66666666666666,9.999999999999998,20,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,74.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2AgO4,Zn2AgO4,bimetallic_oxide,2,"Ag, O, Zn",-2.97,0.135,1.23,0.09,0.18,good,2,0.5714285714285714,0.4285714285714286,3,19.85714285714285,2.712857142857142,100.57142857142856,14.142857142857142,3.0,4.285714285714285,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,137.33333333333331,9.999999999999998,20,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.9,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAgO2,ZnAgO2,bimetallic_oxide,2,"Ag, O, Zn",-2.7,0.012,1.57,0.439,0.326,good,2,0.5,0.5,3,23.25,2.615,106.0,13.75,3.25,5.0,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,139.0,10.0,20,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.6,48.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAgO3,ZnAgO3,bimetallic_oxide,2,"Ag, O, Zn",-3.3,0.1,1.24,0.264,0.227,excellent,3,0.6,0.4,3,20.2,2.78,99.4,14.2,3.0,4.0,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,139.0,10.0,20,10,0.2,0.2,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,22.9,25.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAgO4,ZnAgO4,bimetallic_oxide,2,"Ag, O, Zn",-2.62,0.44,0.98,0.337,0.273,good,2,0.6666666666666666,0.3333333333333333,3,18.166666666666664,2.89,95.0,14.5,2.833333333333333,3.333333333333333,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,138.99999999999997,9.999999999999998,20,10,0.1666666666666666,0.1666666666666666,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,46.5,19.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnTa2O4,ZnTa2O4,bimetallic_oxide,2,"O, Ta, Zn",-2.81,0.024,0.86,0.167,0.284,good,2,0.5714285714285714,0.4285714285714286,3,29.714285714285715,2.63,102.57142857142856,12.285714285714285,3.4285714285714284,2.2857142857142856,3.44,1.5,1.94,146,73,73,73,8,1.65,1.5,0.1499999999999999,142.0,5.333333333333332,13,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2TaO4,Zn2TaO4,bimetallic_oxide,2,"O, Ta, Zn",-2.53,0.063,0.8,0.242,0.334,good,2,0.5714285714285714,0.4285714285714286,3,23.57142857142857,2.6514285714285712,100.85714285714286,13.285714285714285,3.142857142857143,3.285714285714285,3.44,1.5,1.94,146,73,73,73,8,1.65,1.5,0.1499999999999999,138.0,7.666666666666665,13,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.0,21.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnTaO2,ZnTaO2,bimetallic_oxide,2,"O, Ta, Zn",-2.76,0.003,0.93,0.311,0.245,good,2,0.5,0.5,3,29.75,2.5075,106.5,12.25,3.5,3.25,3.44,1.5,1.94,146,73,73,73,8,1.65,1.5,0.1499999999999999,140.0,6.5,13,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,52.2,19.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnTaO3,ZnTaO3,bimetallic_oxide,2,"O, Ta, Zn",-2.97,0.118,1.03,0.202,0.194,good,2,0.6,0.4,3,25.4,2.694,99.8,13.0,3.2,2.6,3.44,1.5,1.94,146,73,73,73,8,1.65,1.5,0.1499999999999999,140.0,6.5,13,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,82.0,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnTaO4,ZnTaO4,bimetallic_oxide,2,"O, Ta, Zn",-2.94,0.293,1.07,0.358,0.239,good,2,0.6666666666666666,0.3333333333333333,3,22.5,2.818333333333333,95.33333333333331,13.5,3.0,2.1666666666666665,3.44,1.5,1.94,146,73,73,73,8,1.65,1.5,0.1499999999999999,139.99999999999997,6.499999999999999,13,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.6,40.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnRe2O4,ZnRe2O4,bimetallic_oxide,2,"O, Re, Zn",-3.02,0.17,0.65,0.384,0.202,good,2,0.5714285714285714,0.4285714285714286,3,30.285714285714285,2.744285714285714,100.0,12.857142857142856,3.4285714285714284,2.8571428571428568,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,135.99999999999997,6.666666666666665,15,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.9,31.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2ReO4,Zn2ReO4,bimetallic_oxide,2,"O, Re, Zn",-3.49,0.073,0.31,0.308,0.189,good,2,0.5714285714285714,0.4285714285714286,3,23.85714285714285,2.708571428571428,99.57142857142856,13.571428571428571,3.142857142857143,3.571428571428571,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,135.0,8.333333333333332,15,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.3,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnReO2,ZnReO2,bimetallic_oxide,2,"O, Re, Zn",-3.42,0.057,1.15,0.376,0.313,excellent,3,0.5,0.5,3,30.25,2.6075,104.25,12.75,3.5,3.75,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,135.5,7.5,15,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,64.0,20.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnReO3,ZnReO3,bimetallic_oxide,2,"O, Re, Zn",-3.51,0.177,0.91,0.488,0.208,excellent,3,0.6,0.4,3,25.8,2.774,98.0,13.4,3.2,3.0,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,135.5,7.5,15,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,30.6,12.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnReO4,ZnReO4,bimetallic_oxide,2,"O, Re, Zn",-2.6,0.806,0.87,0.425,0.35,good,2,0.6666666666666666,0.3333333333333333,3,22.83333333333333,2.885,93.83333333333331,13.833333333333332,3.0,2.5,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,135.49999999999997,7.499999999999998,15,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,36.6,45.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnIr2O4,ZnIr2O4,bimetallic_oxide,2,"Ir, O, Zn",-2.88,0.05,1.54,0.302,0.37,good,2,0.5714285714285714,0.4285714285714286,3,30.857142857142858,2.83,99.71428571428572,13.428571428571429,3.4285714285714284,3.4285714285714284,3.44,1.65,1.79,136,73,63,77,8,2.2,1.65,0.5500000000000003,135.33333333333331,7.999999999999998,17,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,66.1,27.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2IrO4,Zn2IrO4,bimetallic_oxide,2,"Ir, O, Zn",-2.86,0.022,0.6,0.256,0.193,good,2,0.5714285714285714,0.4285714285714286,3,24.142857142857142,2.751428571428572,99.42857142857144,13.857142857142856,3.142857142857143,3.8571428571428568,3.44,1.65,1.79,136,73,63,77,8,2.2,1.65,0.5500000000000003,134.66666666666666,8.999999999999998,17,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,61.7,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnIrO2,ZnIrO2,bimetallic_oxide,2,"Ir, O, Zn",-2.74,0.282,0.52,0.319,0.249,good,2,0.5,0.5,3,30.75,2.6825,104.0,13.25,3.5,4.25,3.44,1.65,1.79,136,73,63,77,8,2.2,1.65,0.5500000000000003,135.0,8.5,17,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.5,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnIrO3,ZnIrO3,bimetallic_oxide,2,"Ir, O, Zn",-3.42,0.381,0.7,0.345,0.314,excellent,3,0.6,0.4,3,26.2,2.834,97.8,13.8,3.2,3.4000000000000004,3.44,1.65,1.79,136,73,63,77,8,2.2,1.65,0.5500000000000003,135.0,8.5,17,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,58.7,42.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnIrO4,ZnIrO4,bimetallic_oxide,2,"Ir, O, Zn",-3.05,0.009,0.87,0.289,0.354,good,2,0.6666666666666666,0.3333333333333333,3,23.166666666666664,2.935,93.66666666666666,14.166666666666666,3.0,2.833333333333333,3.44,1.65,1.79,136,73,63,77,8,2.2,1.65,0.5500000000000003,134.99999999999997,8.499999999999998,17,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.9,51.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAu2O4,ZnAu2O4,bimetallic_oxide,2,"Au, O, Zn",-3.44,0.274,1.15,0.266,0.186,excellent,3,0.5714285714285714,0.4285714285714286,3,31.428571428571427,2.927142857142857,102.0,14.0,3.4285714285714284,4.285714285714285,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,140.66666666666666,9.999999999999998,20,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,24.1,54.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2AuO4,Zn2AuO4,bimetallic_oxide,2,"Au, O, Zn",-2.44,0.023,1.25,0.233,0.26,good,2,0.5714285714285714,0.4285714285714286,3,24.428571428571427,2.8,100.57142857142856,14.142857142857142,3.142857142857143,4.285714285714285,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,137.33333333333331,9.999999999999998,20,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,53.2,37.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAuO2,ZnAuO2,bimetallic_oxide,2,"Au, O, Zn",-2.54,0.241,0.78,0.276,0.354,good,2,0.5,0.5,3,31.25,2.7675,106.0,13.75,3.5,5.0,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,139.0,10.0,20,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,38.6,29.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAuO3,ZnAuO3,bimetallic_oxide,2,"Au, O, Zn",-3.15,0.049,1.31,0.375,0.153,excellent,3,0.6,0.4,3,26.6,2.902,99.4,14.2,3.2,4.0,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,139.0,10.0,20,10,0.2,0.0,0.2,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,31.4,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnAuO4,ZnAuO4,bimetallic_oxide,2,"Au, O, Zn",-2.61,0.288,1.53,0.31,0.24,good,2,0.6666666666666666,0.3333333333333333,3,23.5,2.9916666666666663,95.0,14.5,3.0,3.333333333333333,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,138.99999999999997,9.999999999999998,20,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.3,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnSn2O4,ZnSn2O4,bimetallic_oxide,2,"O, Sn, Zn",-3.09,0.2,1.6,0.21,0.23,excellent,3,0.5714285714285714,0.4285714285714286,3,23.142857142857142,2.761428571428571,102.28571428571428,14.857142857142856,3.1428571428571423,4.285714285714285,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,141.33333333333331,9.999999999999998,20,10,0.1428571428571428,0.2857142857142857,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,19.3,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2SnO4,Zn2SnO4,bimetallic_oxide,2,"O, Sn, Zn",-3.21,0.319,1.45,0.314,0.195,excellent,3,0.5714285714285714,0.4285714285714286,3,20.285714285714285,2.717142857142857,100.71428571428572,14.571428571428571,3.0,4.285714285714285,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,137.66666666666666,9.999999999999998,20,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,76.4,37.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnSnO2,ZnSnO2,bimetallic_oxide,2,"O, Sn, Zn",-2.52,0.233,0.79,0.263,0.274,good,2,0.5,0.5,3,24.0,2.6225,106.25,14.5,3.25,5.0,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,139.5,10.0,20,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,62.9,39.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnSnO3,ZnSnO3,bimetallic_oxide,2,"O, Sn, Zn",-2.3,0.369,0.82,0.374,0.251,good,2,0.6,0.4,3,20.8,2.786,99.6,14.8,3.0,4.0,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,139.5,10.0,20,10,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,18.6,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnSnO4,ZnSnO4,bimetallic_oxide,2,"O, Sn, Zn",-2.51,0.009,1.13,0.298,0.301,good,2,0.6666666666666666,0.3333333333333333,3,18.666666666666664,2.895,95.16666666666666,15.0,2.833333333333333,3.333333333333333,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,139.49999999999997,9.999999999999998,20,10,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,34.3,31.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnLa2O4,ZnLa2O4,bimetallic_oxide,2,"La, O, Zn",-2.58,0.051,1.73,0.302,0.37,good,2,0.5714285714285714,0.4285714285714286,3,25.142857142857142,2.5157142857142856,114.28571428571428,11.714285714285714,3.4285714285714284,1.714285714285714,3.44,1.1,2.34,187,73,114,57,8,1.65,1.1,0.5499999999999998,169.33333333333331,3.999999999999999,11,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.2857142857142857,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,35.8,48.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zn2LaO4,Zn2LaO4,bimetallic_oxide,2,"La, O, Zn",-2.45,0.079,1.18,0.313,0.357,good,2,0.5714285714285714,0.4285714285714286,3,21.285714285714285,2.594285714285714,106.71428571428572,13.0,3.142857142857143,3.0,3.44,1.1,2.34,187,73,114,57,8,1.65,1.1,0.5499999999999998,151.66666666666666,6.999999999999998,11,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,59.8,9.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnLaO2,ZnLaO2,bimetallic_oxide,2,"La, O, Zn",-2.22,0.468,1.24,0.445,0.339,good,2,0.5,0.5,3,25.75,2.4075,116.75,11.75,3.5,2.75,3.44,1.1,2.34,187,73,114,57,8,1.65,1.1,0.5499999999999998,160.5,5.5,11,10,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,64.4,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnLaO3,ZnLaO3,bimetallic_oxide,2,"La, O, Zn",-3.0,0.003,1.29,0.188,0.343,good,2,0.6,0.4,3,22.2,2.614,108.0,12.6,3.2,2.2,3.44,1.1,2.34,187,73,114,57,8,1.65,1.1,0.5499999999999998,160.5,5.5,11,10,0.2,0.0,0.2,0.0,0,0,0.2,True,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,40.5,25.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZnLaO4,ZnLaO4,bimetallic_oxide,2,"La, O, Zn",-1.85,0.097,0.66,0.315,0.332,good,2,0.6666666666666666,0.3333333333333333,3,19.83333333333333,2.7516666666666665,102.16666666666666,13.166666666666666,3.0,1.8333333333333333,3.44,1.1,2.34,187,73,114,57,8,1.65,1.1,0.5499999999999998,160.49999999999997,5.499999999999999,11,10,0.1666666666666666,0.0,0.1666666666666666,0.0,0,0,0.1666666666666666,True,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,63.3,53.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrNb2O4,ZrNb2O4,bimetallic_oxide,2,"Nb, O, Zr",-2.77,0.005,1.6,0.289,0.307,good,2,0.5714285714285714,0.4285714285714286,3,22.0,2.6128571428571425,106.28571428571428,11.142857142857142,3.2857142857142856,1.4285714285714284,3.44,1.33,2.11,160,73,87,41,8,1.6,1.33,0.27,150.66666666666666,3.333333333333333,6,4,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,40.1,22.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2NbO4,Zr2NbO4,bimetallic_oxide,2,"Nb, O, Zr",-2.5,0.012,1.1,0.236,0.308,good,2,0.5714285714285714,0.4285714285714286,3,21.85714285714285,2.5742857142857143,108.28571428571428,11.0,3.2857142857142856,1.1428571428571428,3.44,1.33,2.11,160,73,87,41,8,1.6,1.33,0.27,155.33333333333331,2.6666666666666665,6,4,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,48.2,39.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrNbO2,ZrNbO2,bimetallic_oxide,2,"Nb, O, Zr",-2.0,0.086,1.16,0.354,0.42,good,2,0.5,0.5,3,24.25,2.4525,113.0,10.25,3.5,1.5,3.44,1.33,2.11,160,73,87,41,8,1.6,1.33,0.27,153.0,3.0,6,4,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.5,37.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrNbO3,ZrNbO3,bimetallic_oxide,2,"Nb, O, Zr",-2.61,0.019,1.37,0.344,0.301,good,2,0.6,0.4,3,21.0,2.6500000000000004,105.0,11.4,3.2,1.2000000000000002,3.44,1.33,2.11,160,73,87,41,8,1.6,1.33,0.27,153.0,3.0,6,4,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.5,24.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrNbO4,ZrNbO4,bimetallic_oxide,2,"Nb, O, Zr",-2.41,0.196,1.43,0.337,0.4,good,2,0.6666666666666666,0.3333333333333333,3,18.83333333333333,2.7816666666666663,99.66666666666666,12.166666666666666,3.0,1.0,3.44,1.33,2.11,160,73,87,41,8,1.6,1.33,0.27,152.99999999999997,3.0,6,4,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.3,38.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrRu2O4,ZrRu2O4,bimetallic_oxide,2,"O, Ru, Zr",-2.87,0.056,0.69,0.36,0.421,good,2,0.5714285714285714,0.4285714285714286,3,22.85714285714285,2.7842857142857143,102.85714285714286,12.0,3.2857142857142856,2.2857142857142856,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,142.66666666666666,5.333333333333333,9,7,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,13.8,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2RuO4,Zr2RuO4,bimetallic_oxide,2,"O, Ru, Zr",-3.01,0.077,0.92,0.307,0.333,good,2,0.5714285714285714,0.4285714285714286,3,22.285714285714285,2.66,106.57142857142856,11.428571428571429,3.2857142857142856,1.5714285714285714,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,151.33333333333331,3.666666666666666,9,7,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.8,33.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrRuO2,ZrRuO2,bimetallic_oxide,2,"O, Ru, Zr",-3.44,0.237,1.01,0.324,0.368,excellent,3,0.5,0.5,3,25.0,2.6025,110.0,11.0,3.5,2.25,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,147.0,4.5,9,7,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.9,34.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrRuO3,ZrRuO3,bimetallic_oxide,2,"O, Ru, Zr",-2.88,0.932,1.39,0.449,0.197,good,2,0.6,0.4,3,21.6,2.77,102.6,12.0,3.2,1.8000000000000005,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,147.0,4.5,9,7,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.8,48.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrRuO4,ZrRuO4,bimetallic_oxide,2,"O, Ru, Zr",-2.93,0.052,1.26,0.341,0.348,good,2,0.6666666666666666,0.3333333333333333,3,19.33333333333333,2.8816666666666664,97.66666666666666,12.666666666666666,3.0,1.4999999999999998,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,146.99999999999997,4.499999999999999,9,7,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.4,40.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPd2O4,ZrPd2O4,bimetallic_oxide,2,"O, Pd, Zr",-3.25,0.034,1.42,0.362,0.228,excellent,3,0.5714285714285714,0.4285714285714286,3,23.428571428571427,2.7842857142857143,103.71428571428572,12.571428571428571,3.2857142857142856,3.1428571428571423,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,144.66666666666663,7.333333333333332,12,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,37.5,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2PdO4,Zr2PdO4,bimetallic_oxide,2,"O, Pd, Zr",-2.86,0.13,0.79,0.349,0.383,good,2,0.5714285714285714,0.4285714285714286,3,22.57142857142857,2.66,107.0,11.714285714285714,3.2857142857142856,2.0,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,152.33333333333331,4.666666666666666,12,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.8,31.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPdO2,ZrPdO2,bimetallic_oxide,2,"O, Pd, Zr",-2.58,0.142,1.08,0.248,0.378,good,2,0.5,0.5,3,25.5,2.6025,110.75,11.5,3.5,3.0,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,148.5,6.0,12,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.3,29.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPdO3,ZrPdO3,bimetallic_oxide,2,"O, Pd, Zr",-2.83,0.449,0.58,0.435,0.363,good,2,0.6,0.4,3,22.0,2.77,103.2,12.4,3.2,2.4,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,148.5,6.0,12,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,10.4,40.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPdO4,ZrPdO4,bimetallic_oxide,2,"O, Pd, Zr",-2.51,0.136,0.97,0.203,0.353,good,2,0.6666666666666666,0.3333333333333333,3,19.666666666666664,2.8816666666666664,98.16666666666666,13.0,3.0,2.0,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,148.49999999999997,5.999999999999999,12,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,60.7,54.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrHf2O4,ZrHf2O4,bimetallic_oxide,2,"Hf, O, Zr",-3.36,0.03,0.8,0.408,0.36,excellent,3,0.5714285714285714,0.4285714285714286,3,30.85714285714285,2.527142857142857,110.0,10.857142857142856,3.571428571428571,0.8571428571428571,3.44,1.3,2.14,160,73,87,72,8,1.33,1.3,0.03,159.33333333333331,2.0,4,2,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.8,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2HfO4,Zr2HfO4,bimetallic_oxide,2,"Hf, O, Zr",-1.97,0.184,1.96,0.427,0.312,good,2,0.5714285714285714,0.4285714285714286,3,26.285714285714285,2.531428571428571,110.14285714285714,10.857142857142856,3.4285714285714284,0.8571428571428571,3.44,1.3,2.14,160,73,87,72,8,1.33,1.3,0.03,159.66666666666663,2.0,4,2,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,23.6,52.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrHfO2,ZrHfO2,bimetallic_oxide,2,"Hf, O, Zr",-2.63,0.009,0.84,0.37,0.306,good,2,0.5,0.5,3,32.0,2.3775,116.25,10.0,3.75,1.0,3.44,1.3,2.14,160,73,87,72,8,1.33,1.3,0.03,159.5,2.0,4,2,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.3,73.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrHfO3,ZrHfO3,bimetallic_oxide,2,"Hf, O, Zr",-2.68,0.309,1.26,0.4,0.413,good,2,0.6,0.4,3,27.2,2.59,107.6,11.2,3.4000000000000004,0.8,3.44,1.3,2.14,160,73,87,72,8,1.33,1.3,0.03,159.5,2.0,4,2,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.8,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrHfO4,ZrHfO4,bimetallic_oxide,2,"Hf, O, Zr",-3.24,0.031,1.81,0.216,0.398,excellent,3,0.6666666666666666,0.3333333333333333,3,24.0,2.7316666666666665,101.83333333333331,12.0,3.1666666666666665,0.6666666666666666,3.44,1.3,2.14,160,73,87,72,8,1.33,1.3,0.03,159.49999999999997,2.0,4,2,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,66.0,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrW2O4,ZrW2O4,bimetallic_oxide,2,"O, W, Zr",-3.26,0.194,1.46,0.35,0.404,excellent,3,0.5714285714285714,0.4285714285714286,3,31.428571428571427,2.83,104.28571428571428,11.428571428571429,3.571428571428571,1.4285714285714284,3.44,1.33,2.11,160,73,87,74,8,2.36,1.33,1.0299999999999998,145.99999999999997,3.333333333333333,6,4,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,11.5,22.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2WO4,Zr2WO4,bimetallic_oxide,2,"O, W, Zr",-2.91,0.124,0.7,0.415,0.343,good,2,0.5714285714285714,0.4285714285714286,3,26.57142857142857,2.682857142857143,107.28571428571428,11.142857142857142,3.4285714285714284,1.1428571428571428,3.44,1.33,2.11,160,73,87,74,8,2.36,1.33,1.0299999999999998,152.99999999999997,2.6666666666666665,6,4,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.7,35.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrWO2,ZrWO2,bimetallic_oxide,2,"O, W, Zr",-3.7,0.006,1.53,0.243,0.284,excellent,3,0.5,0.5,3,32.5,2.6425,111.25,10.5,3.75,1.5,3.44,1.33,2.11,160,73,87,74,8,2.36,1.33,1.0299999999999998,149.5,3.0,6,4,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.2,41.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrWO3,ZrWO3,bimetallic_oxide,2,"O, W, Zr",-2.93,0.103,1.44,0.237,0.337,good,2,0.6,0.4,3,27.6,2.802,103.6,11.6,3.4000000000000004,1.2000000000000002,3.44,1.33,2.11,160,73,87,74,8,2.36,1.33,1.0299999999999998,149.5,3.0,6,4,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,56.5,23.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrWO4,ZrWO4,bimetallic_oxide,2,"O, W, Zr",-2.46,0.222,1.17,0.468,0.364,good,2,0.6666666666666666,0.3333333333333333,3,24.33333333333333,2.908333333333333,98.5,12.333333333333332,3.1666666666666665,1.0,3.44,1.33,2.11,160,73,87,74,8,2.36,1.33,1.0299999999999998,149.49999999999997,3.0,6,4,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.4,22.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrOs2O4,ZrOs2O4,bimetallic_oxide,2,"O, Os, Zr",-3.32,0.012,1.71,0.373,0.316,excellent,3,0.5714285714285714,0.4285714285714286,3,32.0,2.7842857142857143,103.14285714285714,12.0,3.571428571428571,2.0,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,143.33333333333331,4.666666666666666,8,6,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.5,47.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2OsO4,Zr2OsO4,bimetallic_oxide,2,"O, Os, Zr",-2.55,0.022,0.86,0.15,0.437,good,2,0.5714285714285714,0.4285714285714286,3,26.85714285714285,2.66,106.71428571428572,11.428571428571429,3.4285714285714284,1.4285714285714284,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,151.66666666666663,3.333333333333333,8,6,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.0,13.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrOsO2,ZrOsO2,bimetallic_oxide,2,"O, Os, Zr",-3.32,0.077,1.57,0.306,0.284,excellent,3,0.5,0.5,3,33.0,2.6025,110.25,11.0,3.75,2.0,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,147.5,4.0,8,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,80.1,27.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrOsO3,ZrOsO3,bimetallic_oxide,2,"O, Os, Zr",-2.87,0.11,1.19,0.301,0.396,good,2,0.6,0.4,3,28.0,2.77,102.8,12.0,3.4000000000000004,1.6,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,147.5,4.0,8,6,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.2,39.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrOsO4,ZrOsO4,bimetallic_oxide,2,"O, Os, Zr",-2.61,0.005,1.61,0.191,0.332,good,2,0.6666666666666666,0.3333333333333333,3,24.666666666666664,2.8816666666666664,97.83333333333331,12.666666666666666,3.1666666666666665,1.3333333333333333,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,147.49999999999997,4.0,8,6,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,35.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPt2O4,ZrPt2O4,bimetallic_oxide,2,"O, Pt, Zr",-3.1,0.303,1.82,0.155,0.302,excellent,3,0.5714285714285714,0.4285714285714286,3,32.57142857142857,2.807142857142857,104.28571428571428,12.571428571428571,3.571428571428571,2.8571428571428568,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,145.99999999999997,6.666666666666666,11,9,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.2,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2PtO4,Zr2PtO4,bimetallic_oxide,2,"O, Pt, Zr",-2.49,0.057,1.5,0.337,0.283,good,2,0.5714285714285714,0.4285714285714286,3,27.14285714285714,2.6714285714285717,107.28571428571428,11.714285714285714,3.4285714285714284,1.857142857142857,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,152.99999999999997,4.333333333333333,11,9,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,50.9,40.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPtO2,ZrPtO2,bimetallic_oxide,2,"O, Pt, Zr",-2.87,0.155,0.86,0.348,0.34,good,2,0.5,0.5,3,33.5,2.6225,111.25,11.5,3.75,2.75,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,149.5,5.5,11,9,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,29.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPtO3,ZrPtO3,bimetallic_oxide,2,"O, Pt, Zr",-2.69,0.07,1.01,0.24,0.274,good,2,0.6,0.4,3,28.4,2.786,103.6,12.4,3.4000000000000004,2.2,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,149.5,5.5,11,9,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,30.0,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrPtO4,ZrPtO4,bimetallic_oxide,2,"O, Pt, Zr",-2.54,0.019,0.95,0.369,0.238,good,2,0.6666666666666666,0.3333333333333333,3,25.0,2.895,98.5,13.0,3.1666666666666665,1.8333333333333333,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,149.49999999999997,5.499999999999999,11,9,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.9,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrAl2O4,ZrAl2O4,bimetallic_oxide,2,"Al, O, Zr",-2.64,0.279,3.31,0.305,0.458,excellent,3,0.5714285714285714,0.4285714285714286,3,13.999999999999998,2.6157142857142857,98.28571428571428,13.428571428571429,2.714285714285714,0.2857142857142857,3.44,1.33,2.11,160,73,87,40,8,1.61,1.33,0.28,131.99999999999997,0.6666666666666666,2,2,0.2857142857142857,0.1428571428571428,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,30.6,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2AlO4,Zr2AlO4,bimetallic_oxide,2,"Al, O, Zr",-2.31,0.037,2.29,0.314,0.37,good,2,0.5714285714285714,0.4285714285714286,3,17.857142857142854,2.5757142857142856,104.28571428571428,12.142857142857142,3.0,0.5714285714285714,3.44,1.33,2.11,160,73,87,40,8,1.61,1.33,0.28,145.99999999999997,1.3333333333333333,2,2,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,55.6,26.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrAlO2,ZrAlO2,bimetallic_oxide,2,"Al, O, Zr",-2.6,0.214,2.91,0.402,0.402,excellent,3,0.5,0.5,3,17.25,2.455,106.0,12.25,3.0,0.5,3.44,1.33,2.11,160,73,87,40,8,1.61,1.33,0.28,139.0,1.0,2,2,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,61.5,53.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrAlO3,ZrAlO3,bimetallic_oxide,2,"Al, O, Zr",-3.02,0.086,3.3,0.2,0.423,excellent,3,0.6,0.4,3,15.4,2.652,99.4,13.0,2.8,0.4,3.44,1.33,2.11,160,73,87,40,8,1.61,1.33,0.28,139.0,1.0,2,2,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.8,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrAlO4,ZrAlO4,bimetallic_oxide,2,"Al, O, Zr",-2.11,0.248,2.81,0.3,0.385,good,2,0.6666666666666666,0.3333333333333333,3,14.166666666666666,2.783333333333333,95.0,13.5,2.6666666666666665,0.3333333333333333,3.44,1.33,2.11,160,73,87,40,8,1.61,1.33,0.28,138.99999999999997,1.0,2,2,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.8,35.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrBi2O4,ZrBi2O4,bimetallic_oxide,2,"Bi, O, Zr",-3.2,0.096,1.29,0.318,0.179,excellent,3,0.5714285714285714,0.4285714285714286,3,34.0,2.7328571428571427,105.42857142857142,14.0,3.571428571428571,3.1428571428571423,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,148.66666666666663,7.333333333333332,12,10,0.0,0.1428571428571428,0.2857142857142857,0.2857142857142857,0,0,0.0,False,True,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,45.6,24.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2BiO4,Zr2BiO4,bimetallic_oxide,2,"Bi, O, Zr",-2.79,0.015,1.46,0.48,0.299,good,2,0.5714285714285714,0.4285714285714286,3,27.85714285714285,2.634285714285714,107.85714285714285,12.428571428571429,3.4285714285714284,2.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,154.33333333333331,4.666666666666666,12,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,7.3,52.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrBiO2,ZrBiO2,bimetallic_oxide,2,"Bi, O, Zr",-3.41,0.19,1.48,0.365,0.252,excellent,3,0.5,0.5,3,34.75,2.5575,112.25,12.75,3.75,3.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,151.5,6.0,12,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.8,20.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrBiO3,ZrBiO3,bimetallic_oxide,2,"Bi, O, Zr",-3.68,0.185,0.98,0.22,0.45,excellent,3,0.6,0.4,3,29.4,2.734,104.4,13.4,3.4000000000000004,2.4,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,151.5,6.0,12,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.9,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrBiO4,ZrBiO4,bimetallic_oxide,2,"Bi, O, Zr",-3.15,0.407,1.47,0.258,0.185,excellent,3,0.6666666666666666,0.3333333333333333,3,25.83333333333333,2.8516666666666666,99.16666666666666,13.833333333333332,3.1666666666666665,2.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,151.49999999999997,5.999999999999999,12,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,37.3,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrCe2O4,ZrCe2O4,bimetallic_oxide,2,"Ce, O, Zr",-2.62,0.164,1.71,0.2,0.362,good,2,0.5714285714285714,0.4285714285714286,3,26.85714285714285,2.475714285714285,116.57142857142856,10.571428571428571,3.571428571428571,0.5714285714285714,3.44,1.12,2.32,182,73,109,58,8,1.33,1.12,0.2099999999999999,174.66666666666666,1.3333333333333333,3,2,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,52.0,41.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Zr2CeO4,Zr2CeO4,bimetallic_oxide,2,"Ce, O, Zr",-2.91,0.136,2.13,0.222,0.397,excellent,3,0.5714285714285714,0.4285714285714286,3,24.285714285714285,2.5057142857142853,113.42857142857142,10.714285714285714,3.4285714285714284,0.7142857142857142,3.44,1.12,2.32,182,73,109,58,8,1.33,1.12,0.2099999999999999,167.33333333333331,1.6666666666666663,3,2,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,54.9,40.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrCeO2,ZrCeO2,bimetallic_oxide,2,"Ce, O, Zr",-3.7,0.039,1.53,0.313,0.42,excellent,3,0.5,0.5,3,28.5,2.3325,122.0,9.75,3.75,0.75,3.44,1.12,2.32,182,73,109,58,8,1.33,1.12,0.2099999999999999,171.0,1.5,3,2,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,39.8,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrCeO3,ZrCeO3,bimetallic_oxide,2,"Ce, O, Zr",-2.54,0.01,1.93,0.387,0.483,good,2,0.6,0.4,3,24.4,2.5540000000000003,112.2,11.0,3.4000000000000004,0.6000000000000001,3.44,1.12,2.32,182,73,109,58,8,1.33,1.12,0.2099999999999999,171.0,1.5,3,2,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,52.3,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ZrCeO4,ZrCeO4,bimetallic_oxide,2,"Ce, O, Zr",-3.19,0.025,1.93,0.477,0.421,excellent,3,0.6666666666666666,0.3333333333333333,3,21.666666666666664,2.701666666666666,105.66666666666666,11.833333333333332,3.1666666666666665,0.5,3.44,1.12,2.32,182,73,109,58,8,1.33,1.12,0.2099999999999999,170.99999999999997,1.4999999999999998,3,2,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,41.2,8.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbRu2O4,NbRu2O4,bimetallic_oxide,2,"Nb, O, Ru",-2.2,0.176,1.41,0.327,0.302,good,2,0.5714285714285714,0.4285714285714286,3,23.0,2.8228571428571425,100.85714285714286,12.142857142857142,3.2857142857142856,2.571428571428571,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,138.0,5.999999999999999,11,7,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.9,24.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2RuO4,Nb2RuO4,bimetallic_oxide,2,"Nb, O, Ru",-3.16,0.069,0.94,0.436,0.292,good,2,0.5714285714285714,0.4285714285714286,3,22.57142857142857,2.737142857142857,102.57142857142856,11.714285714285714,3.2857142857142856,2.142857142857143,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,142.0,5.0,11,7,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.6,23.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbRuO2,NbRuO2,bimetallic_oxide,2,"Nb, O, Ru",-3.11,0.205,0.88,0.266,0.308,good,2,0.5,0.5,3,25.25,2.67,106.5,11.25,3.5,2.75,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,140.0,5.5,11,7,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.1,21.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbRuO3,NbRuO3,bimetallic_oxide,2,"Nb, O, Ru",-3.56,0.168,1.43,0.255,0.187,excellent,3,0.6,0.4,3,21.8,2.8240000000000003,99.8,12.2,3.2,2.2,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,140.0,5.5,11,7,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,28.8,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbRuO4,NbRuO4,bimetallic_oxide,2,"Nb, O, Ru",-2.39,0.012,0.61,0.344,0.283,good,2,0.6666666666666666,0.3333333333333333,3,19.5,2.9266666666666663,95.33333333333331,12.833333333333332,3.0,1.833333333333333,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,139.99999999999997,5.499999999999999,11,7,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.9,33.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPd2O4,NbPd2O4,bimetallic_oxide,2,"Nb, O, Pd",-2.75,0.307,0.48,0.277,0.261,good,2,0.5714285714285714,0.4285714285714286,3,23.57142857142857,2.8228571428571425,101.71428571428572,12.714285714285714,3.2857142857142856,3.428571428571428,3.44,1.6,1.84,146,73,73,46,8,2.2,1.6,0.6000000000000001,139.99999999999997,7.999999999999998,14,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.4,20.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2PdO4,Nb2PdO4,bimetallic_oxide,2,"Nb, O, Pd",-1.99,0.045,1.21,0.32,0.243,good,2,0.5714285714285714,0.4285714285714286,3,22.85714285714285,2.737142857142857,103.0,12.0,3.2857142857142856,2.571428571428571,3.44,1.6,1.84,146,73,73,46,8,2.2,1.6,0.6000000000000001,143.0,5.999999999999999,14,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.7,50.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPdO2,NbPdO2,bimetallic_oxide,2,"Nb, O, Pd",-2.81,0.064,0.84,0.533,0.22,good,2,0.5,0.5,3,25.75,2.67,107.25,11.75,3.5,3.5,3.44,1.6,1.84,146,73,73,46,8,2.2,1.6,0.6000000000000001,141.5,7.0,14,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.6,42.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPdO3,NbPdO3,bimetallic_oxide,2,"Nb, O, Pd",-3.37,0.055,1.1,0.362,0.237,excellent,3,0.6,0.4,3,22.200000000000003,2.8240000000000003,100.4,12.6,3.2,2.8,3.44,1.6,1.84,146,73,73,46,8,2.2,1.6,0.6000000000000001,141.5,7.0,14,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.6,44.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPdO4,NbPdO4,bimetallic_oxide,2,"Nb, O, Pd",-2.53,0.231,1.23,0.436,0.326,good,2,0.6666666666666666,0.3333333333333333,3,19.83333333333333,2.9266666666666663,95.83333333333331,13.166666666666666,3.0,2.333333333333333,3.44,1.6,1.84,146,73,73,46,8,2.2,1.6,0.6000000000000001,141.49999999999997,6.999999999999999,14,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,14.3,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbHf2O4,NbHf2O4,bimetallic_oxide,2,"Hf, Nb, O",-2.94,0.301,1.42,0.215,0.382,good,2,0.5714285714285714,0.4285714285714286,3,31.0,2.5657142857142854,108.0,11.0,3.571428571428571,1.1428571428571428,3.44,1.3,2.14,159,73,86,72,8,1.6,1.3,0.3,154.66666666666666,2.6666666666666665,6,4,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,52.8,24.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2HfO4,Nb2HfO4,bimetallic_oxide,2,"Hf, Nb, O",-2.56,0.636,0.92,0.424,0.371,good,2,0.5714285714285714,0.4285714285714286,3,26.57142857142857,2.6085714285714285,106.14285714285714,11.142857142857142,3.4285714285714284,1.4285714285714284,3.44,1.3,2.14,159,73,86,72,8,1.6,1.3,0.3,150.33333333333331,3.333333333333333,6,4,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.2,33.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbHfO2,NbHfO2,bimetallic_oxide,2,"Hf, Nb, O",-3.15,0.038,1.4,0.344,0.327,excellent,3,0.5,0.5,3,32.25,2.445,112.75,10.25,3.75,1.5,3.44,1.3,2.14,159,73,86,72,8,1.6,1.3,0.3,152.5,3.0,6,4,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.2,17.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbHfO3,NbHfO3,bimetallic_oxide,2,"Hf, Nb, O",-2.22,0.224,0.73,0.438,0.304,good,2,0.6,0.4,3,27.4,2.644,104.8,11.4,3.4000000000000004,1.2000000000000002,3.44,1.3,2.14,159,73,86,72,8,1.6,1.3,0.3,152.5,3.0,6,4,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,27.2,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbHfO4,NbHfO4,bimetallic_oxide,2,"Hf, Nb, O",-3.25,0.38,1.48,0.546,0.343,excellent,3,0.6666666666666666,0.3333333333333333,3,24.166666666666664,2.7766666666666664,99.5,12.166666666666666,3.1666666666666665,1.0,3.44,1.3,2.14,159,73,86,72,8,1.6,1.3,0.3,152.49999999999997,3.0,6,4,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,28.8,44.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbW2O4,NbW2O4,bimetallic_oxide,2,"Nb, O, W",-3.6,0.015,0.92,0.535,0.431,excellent,3,0.5714285714285714,0.4285714285714286,3,31.57142857142857,2.8685714285714283,102.28571428571428,11.571428571428571,3.571428571428571,1.7142857142857142,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,141.33333333333331,4.0,8,4,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.1,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2WO4,Nb2WO4,bimetallic_oxide,2,"Nb, O, W",-2.39,0.54,0.95,0.323,0.251,good,2,0.5714285714285714,0.4285714285714286,3,26.85714285714285,2.76,103.28571428571428,11.428571428571429,3.4285714285714284,1.7142857142857142,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,143.66666666666666,4.0,8,4,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.6,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbWO2,NbWO2,bimetallic_oxide,2,"Nb, O, W",-2.37,0.039,1.27,0.337,0.233,good,2,0.5,0.5,3,32.75,2.71,107.75,10.75,3.75,2.0,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,142.5,4.0,8,4,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.2,40.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbWO3,NbWO3,bimetallic_oxide,2,"Nb, O, W",-3.71,0.022,0.97,0.17,0.396,excellent,3,0.6,0.4,3,27.8,2.856,100.8,11.8,3.4000000000000004,1.6,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,142.5,4.0,8,4,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.9,28.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbWO4,NbWO4,bimetallic_oxide,2,"Nb, O, W",-3.16,0.065,1.44,0.37,0.305,excellent,3,0.6666666666666666,0.3333333333333333,3,24.5,2.953333333333333,96.16666666666666,12.5,3.1666666666666665,1.3333333333333333,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,142.49999999999997,4.0,8,4,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.4,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbOs2O4,NbOs2O4,bimetallic_oxide,2,"Nb, O, Os",-3.03,0.005,0.67,0.235,0.328,good,2,0.5714285714285714,0.4285714285714286,3,32.14285714285714,2.8228571428571425,101.14285714285714,12.142857142857142,3.571428571428571,2.2857142857142856,3.44,1.6,1.84,146,73,73,76,8,2.2,1.6,0.6000000000000001,138.66666666666666,5.333333333333333,10,6,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,58.7,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2OsO4,Nb2OsO4,bimetallic_oxide,2,"Nb, O, Os",-3.35,0.136,0.89,0.268,0.322,excellent,3,0.5714285714285714,0.4285714285714286,3,27.14285714285714,2.737142857142857,102.71428571428572,11.714285714285714,3.4285714285714284,2.0,3.44,1.6,1.84,146,73,73,76,8,2.2,1.6,0.6000000000000001,142.33333333333331,4.666666666666666,10,6,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,54.4,60.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbOsO2,NbOsO2,bimetallic_oxide,2,"Nb, O, Os",-3.05,0.13,0.39,0.178,0.305,good,2,0.5,0.5,3,33.25,2.67,106.75,11.25,3.75,2.5,3.44,1.6,1.84,146,73,73,76,8,2.2,1.6,0.6000000000000001,140.5,5.0,10,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.4,48.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbOsO3,NbOsO3,bimetallic_oxide,2,"Nb, O, Os",-2.87,0.119,0.73,0.33,0.296,good,2,0.6,0.4,3,28.200000000000003,2.8240000000000003,100.0,12.2,3.4000000000000004,2.0,3.44,1.6,1.84,146,73,73,76,8,2.2,1.6,0.6000000000000001,140.5,5.0,10,6,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.7,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbOsO4,NbOsO4,bimetallic_oxide,2,"Nb, O, Os",-3.14,0.271,1.53,0.361,0.23,excellent,3,0.6666666666666666,0.3333333333333333,3,24.83333333333333,2.9266666666666663,95.5,12.833333333333332,3.1666666666666665,1.6666666666666663,3.44,1.6,1.84,146,73,73,76,8,2.2,1.6,0.6000000000000001,140.49999999999997,4.999999999999999,10,6,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,64.4,40.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPt2O4,NbPt2O4,bimetallic_oxide,2,"Nb, O, Pt",-3.01,0.159,1.56,0.263,0.297,excellent,3,0.5714285714285714,0.4285714285714286,3,32.714285714285715,2.8457142857142856,102.28571428571428,12.714285714285714,3.571428571428571,3.1428571428571423,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,141.33333333333331,7.333333333333332,13,9,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.1,60.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2PtO4,Nb2PtO4,bimetallic_oxide,2,"Nb, O, Pt",-2.88,0.12,0.93,0.25,0.318,good,2,0.5714285714285714,0.4285714285714286,3,27.428571428571427,2.748571428571428,103.28571428571428,12.0,3.4285714285714284,2.4285714285714284,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,143.66666666666666,5.666666666666666,13,9,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.8,62.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPtO2,NbPtO2,bimetallic_oxide,2,"Nb, O, Pt",-2.91,0.027,0.55,0.218,0.369,good,2,0.5,0.5,3,33.75,2.69,107.75,11.75,3.75,3.25,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,142.5,6.5,13,9,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.4,13.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPtO3,NbPtO3,bimetallic_oxide,2,"Nb, O, Pt",-2.86,0.317,0.82,0.309,0.327,good,2,0.6,0.4,3,28.6,2.84,100.8,12.6,3.4000000000000004,2.6,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,142.5,6.5,13,9,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,25.8,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbPtO4,NbPtO4,bimetallic_oxide,2,"Nb, O, Pt",-2.93,0.189,1.0,0.352,0.227,good,2,0.6666666666666666,0.3333333333333333,3,25.166666666666664,2.9399999999999995,96.16666666666666,13.166666666666666,3.1666666666666665,2.1666666666666665,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,142.49999999999997,6.499999999999999,13,9,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,44.6,30.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbAl2O4,NbAl2O4,bimetallic_oxide,2,"Al, Nb, O",-2.56,0.019,2.22,0.438,0.304,good,2,0.5714285714285714,0.4285714285714286,3,14.142857142857142,2.654285714285714,96.28571428571428,13.571428571428571,2.714285714285714,0.5714285714285714,3.44,1.6,1.84,146,73,73,41,8,1.61,1.6,0.01,127.33333333333331,1.3333333333333333,4,4,0.2857142857142857,0.1428571428571428,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,44.5,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2AlO4,Nb2AlO4,bimetallic_oxide,2,"Al, Nb, O",-2.79,0.264,2.06,0.474,0.245,excellent,3,0.5714285714285714,0.4285714285714286,3,18.142857142857142,2.6528571428571426,100.28571428571428,12.428571428571429,3.0,1.1428571428571428,3.44,1.6,1.84,146,73,73,41,8,1.61,1.6,0.01,136.66666666666666,2.6666666666666665,4,4,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.7,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbAlO2,NbAlO2,bimetallic_oxide,2,"Al, Nb, O",-2.89,0.106,2.29,0.463,0.372,excellent,3,0.5,0.5,3,17.5,2.5225,102.5,12.5,3.0,1.0,3.44,1.6,1.84,146,73,73,41,8,1.61,1.6,0.01,132.0,2.0,4,4,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,20.7,40.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbAlO3,NbAlO3,bimetallic_oxide,2,"Al, Nb, O",-2.5,0.097,2.77,0.291,0.461,excellent,3,0.6,0.4,3,15.6,2.7060000000000004,96.6,13.2,2.8,0.8,3.44,1.6,1.84,146,73,73,41,8,1.61,1.6,0.01,132.0,2.0,4,4,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,68.6,29.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbAlO4,NbAlO4,bimetallic_oxide,2,"Al, Nb, O",-2.39,0.121,2.51,0.418,0.47,good,2,0.6666666666666666,0.3333333333333333,3,14.333333333333332,2.828333333333333,92.66666666666666,13.666666666666666,2.6666666666666665,0.6666666666666666,3.44,1.6,1.84,146,73,73,41,8,1.61,1.6,0.01,131.99999999999997,2.0,4,4,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,5.0,44.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbBi2O4,NbBi2O4,bimetallic_oxide,2,"Bi, Nb, O",-3.63,0.003,1.46,0.308,0.22,excellent,3,0.5714285714285714,0.4285714285714286,3,34.14285714285714,2.771428571428572,103.42857142857144,14.142857142857142,3.571428571428571,3.428571428571428,3.44,1.6,1.84,146,73,73,83,8,2.02,1.6,0.4199999999999999,143.99999999999997,7.999999999999998,14,10,0.0,0.1428571428571428,0.2857142857142857,0.2857142857142857,0,0,0.0,False,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,20.7,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2BiO4,Nb2BiO4,bimetallic_oxide,2,"Bi, Nb, O",-2.99,0.063,1.0,0.316,0.312,good,2,0.5714285714285714,0.4285714285714286,3,28.14285714285714,2.7114285714285717,103.85714285714286,12.714285714285714,3.4285714285714284,2.571428571428571,3.44,1.6,1.84,146,73,73,83,8,2.02,1.6,0.4199999999999999,145.0,5.999999999999999,14,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbBiO2,NbBiO2,bimetallic_oxide,2,"Bi, Nb, O",-2.82,0.111,1.11,0.484,0.16,good,2,0.5,0.5,3,35.0,2.625,108.75,13.0,3.75,3.5,3.44,1.6,1.84,146,73,73,83,8,2.02,1.6,0.4199999999999999,144.5,7.0,14,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,60.9,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbBiO3,NbBiO3,bimetallic_oxide,2,"Bi, Nb, O",-2.85,0.059,0.75,0.31,0.298,good,2,0.6,0.4,3,29.6,2.7880000000000003,101.6,13.6,3.4000000000000004,2.8,3.44,1.6,1.84,146,73,73,83,8,2.02,1.6,0.4199999999999999,144.5,7.0,14,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,42.7,27.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbBiO4,NbBiO4,bimetallic_oxide,2,"Bi, Nb, O",-3.21,0.192,1.07,0.4,0.25,good,2,0.6666666666666666,0.3333333333333333,3,26.0,2.8966666666666665,96.83333333333331,14.0,3.1666666666666665,2.333333333333333,3.44,1.6,1.84,146,73,73,83,8,2.02,1.6,0.4199999999999999,144.49999999999997,6.999999999999999,14,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,46.1,20.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbCe2O4,NbCe2O4,bimetallic_oxide,2,"Ce, Nb, O",-2.9,0.051,1.4,0.477,0.304,good,2,0.5714285714285714,0.4285714285714286,3,27.0,2.5142857142857142,114.57142857142856,10.714285714285714,3.571428571428571,0.8571428571428571,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,170.0,2.0,5,4,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,False,True,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,45.4,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Nb2CeO4,Nb2CeO4,bimetallic_oxide,2,"Ce, Nb, O",-2.93,0.241,1.46,0.432,0.339,good,2,0.5714285714285714,0.4285714285714286,3,24.57142857142857,2.5828571428571427,109.42857142857144,11.0,3.4285714285714284,1.2857142857142856,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,158.0,3.0,5,4,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,41.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbCeO2,NbCeO2,bimetallic_oxide,2,"Ce, Nb, O",-2.75,0.257,1.07,0.4,0.343,good,2,0.5,0.5,3,28.75,2.4,118.5,10.0,3.75,1.25,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,164.0,2.5,5,4,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,34.8,40.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbCeO3,NbCeO3,bimetallic_oxide,2,"Ce, Nb, O",-2.54,0.153,2.06,0.298,0.37,good,2,0.6,0.4,3,24.6,2.608,109.4,11.2,3.4000000000000004,1.0,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,164.0,2.5,5,4,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,46.6,14.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_NbCeO4,NbCeO4,bimetallic_oxide,2,"Ce, Nb, O",-2.72,0.792,2.04,0.141,0.355,good,2,0.6666666666666666,0.3333333333333333,3,21.83333333333333,2.746666666666666,103.33333333333331,12.0,3.1666666666666665,0.8333333333333333,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,163.99999999999997,2.5,5,4,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,44.6,18.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoRh2O4,MoRh2O4,bimetallic_oxide,2,"Mo, O, Rh",-2.24,0.158,0.72,0.269,0.266,good,2,0.5714285714285714,0.4285714285714286,3,23.428571428571427,2.9257142857142853,99.85714285714286,12.571428571428571,3.2857142857142856,3.0,3.44,2.16,1.2799999999999998,139,73,66,45,8,2.28,2.16,0.1199999999999996,135.66666666666666,6.999999999999999,13,8,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.6,42.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2RhO4,Mo2RhO4,bimetallic_oxide,2,"Mo, O, Rh",-3.23,0.117,0.29,0.393,0.348,good,2,0.5714285714285714,0.4285714285714286,3,23.0,2.9085714285714284,100.57142857142856,12.142857142857142,3.2857142857142856,2.571428571428571,3.44,2.16,1.2799999999999998,139,73,66,45,8,2.28,2.16,0.1199999999999996,137.33333333333331,5.999999999999999,13,8,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.0,34.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoRhO2,MoRhO2,bimetallic_oxide,2,"Mo, O, Rh",-3.67,0.059,1.01,0.314,0.315,excellent,3,0.5,0.5,3,25.75,2.83,104.75,11.75,3.5,3.25,3.44,2.16,1.2799999999999998,139,73,66,45,8,2.28,2.16,0.1199999999999996,136.5,6.5,13,8,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.9,51.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoRhO3,MoRhO3,bimetallic_oxide,2,"Mo, O, Rh",-2.55,0.204,1.0,0.416,0.254,good,2,0.6,0.4,3,22.2,2.952,98.4,12.6,3.2,2.6,3.44,2.16,1.2799999999999998,139,73,66,45,8,2.28,2.16,0.1199999999999996,136.5,6.5,13,8,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.0,42.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoRhO4,MoRhO4,bimetallic_oxide,2,"Mo, O, Rh",-2.63,0.181,0.72,0.388,0.209,good,2,0.6666666666666666,0.3333333333333333,3,19.83333333333333,3.0333333333333328,94.16666666666666,13.166666666666666,3.0,2.1666666666666665,3.44,2.16,1.2799999999999998,139,73,66,45,8,2.28,2.16,0.1199999999999996,136.49999999999997,6.499999999999999,13,8,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.3,39.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAg2O4,MoAg2O4,bimetallic_oxide,2,"Ag, Mo, O",-2.28,0.217,0.54,0.265,0.232,good,2,0.5714285714285714,0.4285714285714286,3,24.0,2.8257142857142856,102.71428571428572,13.142857142857142,3.2857142857142856,3.571428571428571,3.44,1.93,1.51,144,73,71,47,8,2.16,1.93,0.2300000000000002,142.33333333333331,8.333333333333332,15,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,53.2,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2AgO4,Mo2AgO4,bimetallic_oxide,2,"Ag, Mo, O",-3.18,0.155,0.66,0.259,0.31,good,2,0.5714285714285714,0.4285714285714286,3,23.285714285714285,2.8585714285714285,102.0,12.428571428571429,3.2857142857142856,2.8571428571428568,3.44,1.93,1.51,144,73,71,47,8,2.16,1.93,0.2300000000000002,140.66666666666666,6.666666666666665,15,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.9,22.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAgO2,MoAgO2,bimetallic_oxide,2,"Ag, Mo, O",-2.86,0.222,0.55,0.417,0.272,good,2,0.5,0.5,3,26.25,2.7425,107.25,12.25,3.5,3.75,3.44,1.93,1.51,144,73,71,47,8,2.16,1.93,0.2300000000000002,141.5,7.5,15,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,18.8,8.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAgO3,MoAgO3,bimetallic_oxide,2,"Ag, Mo, O",-2.49,0.102,0.95,0.407,0.351,good,2,0.6,0.4,3,22.6,2.882,100.4,13.0,3.2,3.0,3.44,1.93,1.51,144,73,71,47,8,2.16,1.93,0.2300000000000002,141.5,7.5,15,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.9,49.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAgO4,MoAgO4,bimetallic_oxide,2,"Ag, Mo, O",-2.78,0.007,0.68,0.356,0.165,good,2,0.6666666666666666,0.3333333333333333,3,20.166666666666664,2.975,95.83333333333331,13.5,3.0,2.5,3.44,1.93,1.51,144,73,71,47,8,2.16,1.93,0.2300000000000002,141.49999999999997,7.499999999999998,15,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,39.0,17.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoTa2O4,MoTa2O4,bimetallic_oxide,2,"Mo, O, Ta",-3.48,0.142,1.39,0.222,0.355,excellent,3,0.5714285714285714,0.4285714285714286,3,31.42857142857143,2.702857142857143,103.28571428571428,11.428571428571429,3.571428571428571,1.5714285714285712,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,143.66666666666666,3.666666666666666,8,5,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,49.6,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2TaO4,Mo2TaO4,bimetallic_oxide,2,"Mo, O, Ta",-2.45,0.327,1.14,0.495,0.379,good,2,0.5714285714285714,0.4285714285714286,3,27.0,2.7971428571428567,102.28571428571428,11.571428571428571,3.4285714285714284,1.857142857142857,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,141.33333333333331,4.333333333333332,8,5,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.8,34.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoTaO2,MoTaO2,bimetallic_oxide,2,"Mo, O, Ta",-2.63,0.215,1.26,0.309,0.275,good,2,0.5,0.5,3,32.75,2.635,107.75,10.75,3.75,2.0,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,142.5,4.0,8,5,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.6,60.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoTaO3,MoTaO3,bimetallic_oxide,2,"Mo, O, Ta",-2.75,0.073,0.84,0.329,0.243,good,2,0.6,0.4,3,27.8,2.7960000000000003,100.8,11.8,3.4000000000000004,1.6,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,142.5,4.0,8,5,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoTaO4,MoTaO4,bimetallic_oxide,2,"Mo, O, Ta",-2.76,0.103,1.3,0.234,0.377,good,2,0.6666666666666666,0.3333333333333333,3,24.5,2.903333333333333,96.16666666666666,12.5,3.1666666666666665,1.3333333333333333,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,142.49999999999997,3.999999999999999,8,5,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,45.6,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoRe2O4,MoRe2O4,bimetallic_oxide,2,"Mo, O, Re",-2.89,0.241,1.39,0.469,0.362,good,2,0.5714285714285714,0.4285714285714286,3,32.0,2.8171428571428567,100.71428571428572,12.0,3.571428571428571,2.1428571428571423,3.44,1.9,1.54,139,73,66,75,8,2.16,1.9,0.2600000000000002,137.66666666666663,4.999999999999999,10,5,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,19.5,21.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2ReO4,Mo2ReO4,bimetallic_oxide,2,"Mo, O, Re",-2.44,0.087,0.66,0.36,0.319,good,2,0.5714285714285714,0.4285714285714286,3,27.285714285714285,2.854285714285714,101.0,11.857142857142856,3.4285714285714284,2.1428571428571423,3.44,1.9,1.54,139,73,66,75,8,2.16,1.9,0.2600000000000002,138.33333333333331,4.999999999999999,10,5,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.2,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoReO2,MoReO2,bimetallic_oxide,2,"Mo, O, Re",-3.15,0.109,1.26,0.306,0.329,excellent,3,0.5,0.5,3,33.25,2.735,105.5,11.25,3.75,2.5,3.44,1.9,1.54,139,73,66,75,8,2.16,1.9,0.2600000000000002,138.0,5.0,10,5,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,24.0,61.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoReO3,MoReO3,bimetallic_oxide,2,"Mo, O, Re",-3.17,0.004,0.85,0.153,0.364,good,2,0.6,0.4,3,28.2,2.8760000000000003,99.0,12.2,3.4000000000000004,2.0,3.44,1.9,1.54,139,73,66,75,8,2.16,1.9,0.2600000000000002,138.0,5.0,10,5,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,39.0,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoReO4,MoReO4,bimetallic_oxide,2,"Mo, O, Re",-2.33,0.055,0.73,0.286,0.284,good,2,0.6666666666666666,0.3333333333333333,3,24.83333333333333,2.97,94.66666666666666,12.833333333333332,3.1666666666666665,1.6666666666666663,3.44,1.9,1.54,139,73,66,75,8,2.16,1.9,0.2600000000000002,137.99999999999997,4.999999999999999,10,5,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,35.3,17.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoIr2O4,MoIr2O4,bimetallic_oxide,2,"Ir, Mo, O",-3.63,0.237,0.6,0.089,0.176,excellent,3,0.5714285714285714,0.4285714285714286,3,32.57142857142857,2.9028571428571426,100.42857142857144,12.571428571428571,3.571428571428571,2.7142857142857144,3.44,2.16,1.2799999999999998,139,73,66,77,8,2.2,2.16,0.04,137.0,6.333333333333332,12,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,60.6,46.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2IrO4,Mo2IrO4,bimetallic_oxide,2,"Ir, Mo, O",-2.76,0.007,0.86,0.2,0.376,good,2,0.5714285714285714,0.4285714285714286,3,27.57142857142857,2.897142857142857,100.85714285714286,12.142857142857142,3.4285714285714284,2.4285714285714284,3.44,2.16,1.2799999999999998,139,73,66,77,8,2.2,2.16,0.04,138.0,5.666666666666666,12,7,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.8,18.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoIrO2,MoIrO2,bimetallic_oxide,2,"Ir, Mo, O",-2.97,0.038,0.16,0.322,0.321,good,2,0.5,0.5,3,33.75,2.81,105.25,11.75,3.75,3.0,3.44,2.16,1.2799999999999998,139,73,66,77,8,2.2,2.16,0.04,137.5,6.0,12,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.4,37.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoIrO3,MoIrO3,bimetallic_oxide,2,"Ir, Mo, O",-3.44,0.033,1.34,0.494,0.247,excellent,3,0.6,0.4,3,28.6,2.936,98.8,12.6,3.4000000000000004,2.4000000000000004,3.44,2.16,1.2799999999999998,139,73,66,77,8,2.2,2.16,0.04,137.5,6.0,12,7,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,61.6,17.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoIrO4,MoIrO4,bimetallic_oxide,2,"Ir, Mo, O",-2.79,0.01,1.25,0.361,0.335,good,2,0.6666666666666666,0.3333333333333333,3,25.166666666666664,3.02,94.5,13.166666666666666,3.1666666666666665,2.0,3.44,2.16,1.2799999999999998,139,73,66,77,8,2.2,2.16,0.04,137.49999999999997,5.999999999999998,12,7,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,18.1,40.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAu2O4,MoAu2O4,bimetallic_oxide,2,"Au, Mo, O",-3.61,0.159,1.18,0.333,0.319,excellent,3,0.5714285714285714,0.4285714285714286,3,33.14285714285714,3.0,102.71428571428572,13.142857142857142,3.571428571428571,3.571428571428571,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,142.33333333333331,8.333333333333332,15,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,65.7,21.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2AuO4,Mo2AuO4,bimetallic_oxide,2,"Au, Mo, O",-2.9,0.026,0.9,0.238,0.291,good,2,0.5714285714285714,0.4285714285714286,3,27.85714285714285,2.9457142857142853,102.0,12.428571428571429,3.4285714285714284,2.8571428571428568,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,140.66666666666666,6.666666666666665,15,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.0,48.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAuO2,MoAuO2,bimetallic_oxide,2,"Au, Mo, O",-2.67,0.04,1.1,0.248,0.331,good,2,0.5,0.5,3,34.25,2.895,107.25,12.25,3.75,3.75,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,141.5,7.5,15,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.4,18.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAuO3,MoAuO3,bimetallic_oxide,2,"Au, Mo, O",-2.49,0.076,1.0,0.34,0.291,good,2,0.6,0.4,3,29.0,3.004,100.4,13.0,3.4000000000000004,3.0,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,141.5,7.5,15,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,22.1,57.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoAuO4,MoAuO4,bimetallic_oxide,2,"Au, Mo, O",-3.5,0.104,0.93,0.417,0.266,excellent,3,0.6666666666666666,0.3333333333333333,3,25.5,3.076666666666666,95.83333333333331,13.5,3.1666666666666665,2.5,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,141.49999999999997,7.499999999999998,15,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,30.8,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoSn2O4,MoSn2O4,bimetallic_oxide,2,"Mo, O, Sn",-3.1,0.295,0.64,0.404,0.263,good,2,0.5714285714285714,0.4285714285714286,3,24.85714285714285,2.834285714285714,103.0,14.0,3.2857142857142856,3.571428571428571,3.44,1.96,1.48,145,73,72,50,8,2.16,1.96,0.2000000000000001,142.99999999999997,8.333333333333332,15,10,0.0,0.4285714285714285,0.0,0.2857142857142857,0,0,0.0,False,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,28.7,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2SnO4,Mo2SnO4,bimetallic_oxide,2,"Mo, O, Sn",-2.54,0.179,1.22,0.25,0.367,good,2,0.5714285714285714,0.4285714285714286,3,23.714285714285715,2.8628571428571425,102.14285714285714,12.857142857142856,3.2857142857142856,2.8571428571428568,3.44,1.96,1.48,145,73,72,50,8,2.16,1.96,0.2000000000000001,140.99999999999997,6.666666666666665,15,10,0.0,0.4285714285714285,0.0,0.1428571428571428,0,0,0.0,False,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,14.4,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoSnO2,MoSnO2,bimetallic_oxide,2,"Mo, O, Sn",-3.0,0.343,1.36,0.298,0.209,good,2,0.5,0.5,3,27.0,2.75,107.5,13.0,3.5,3.75,3.44,1.96,1.48,145,73,72,50,8,2.16,1.96,0.2000000000000001,142.0,7.5,15,10,0.0,0.5,0.0,0.25,0,0,0.0,False,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,38.1,19.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoSnO3,MoSnO3,bimetallic_oxide,2,"Mo, O, Sn",-3.22,0.077,1.32,0.29,0.188,excellent,3,0.6,0.4,3,23.2,2.888,100.6,13.6,3.2,3.0,3.44,1.96,1.48,145,73,72,50,8,2.16,1.96,0.2000000000000001,142.0,7.5,15,10,0.0,0.4,0.0,0.2,0,0,0.0,False,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.6,41.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoSnO4,MoSnO4,bimetallic_oxide,2,"Mo, O, Sn",-2.21,0.259,0.52,0.317,0.195,good,2,0.6666666666666666,0.3333333333333333,3,20.666666666666664,2.9799999999999995,96.0,14.0,3.0,2.5,3.44,1.96,1.48,145,73,72,50,8,2.16,1.96,0.2000000000000001,141.99999999999997,7.499999999999998,15,10,0.0,0.3333333333333333,0.0,0.1666666666666666,0,0,0.0,False,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,39.1,27.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoLa2O4,MoLa2O4,bimetallic_oxide,2,"La, Mo, O",-2.57,0.082,1.21,0.336,0.356,good,2,0.5714285714285714,0.4285714285714286,3,26.85714285714285,2.5885714285714285,115.0,10.857142857142856,3.571428571428571,1.0,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,170.99999999999997,2.333333333333333,6,5,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,41.0,43.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Mo2LaO4,Mo2LaO4,bimetallic_oxide,2,"La, Mo, O",-2.41,0.237,1.21,0.406,0.296,good,2,0.5714285714285714,0.4285714285714286,3,24.714285714285715,2.74,108.14285714285714,11.285714285714285,3.4285714285714284,1.5714285714285712,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,154.99999999999997,3.666666666666666,6,5,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,12.7,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoLaO2,MoLaO2,bimetallic_oxide,2,"La, Mo, O",-2.09,0.06,1.6,0.278,0.468,good,2,0.5,0.5,3,28.75,2.535,118.0,10.25,3.75,1.5,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,163.0,3.0,6,5,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,41.9,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoLaO3,MoLaO3,bimetallic_oxide,2,"La, Mo, O",-3.27,0.05,1.55,0.161,0.292,excellent,3,0.6,0.4,3,24.6,2.716,109.0,11.4,3.4000000000000004,1.2,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,163.0,3.0,6,5,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,39.0,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_MoLaO4,MoLaO4,bimetallic_oxide,2,"La, Mo, O",-3.24,0.108,1.43,0.339,0.302,excellent,3,0.6666666666666666,0.3333333333333333,3,21.83333333333333,2.8366666666666664,103.0,12.166666666666666,3.1666666666666665,1.0,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,162.99999999999997,3.0,6,5,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,23.8,11.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuRh2O4,RuRh2O4,bimetallic_oxide,2,"O, Rh, Ru",-3.59,0.306,0.85,0.238,0.272,excellent,3,0.5714285714285714,0.4285714285714286,3,23.71428571428571,2.931428571428571,99.14285714285714,12.857142857142856,3.2857142857142856,3.2857142857142856,3.44,2.2,1.2399999999999998,134,73,61,45,8,2.28,2.2,0.0799999999999996,134.0,7.666666666666666,15,8,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,46.1,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2RhO4,Ru2RhO4,bimetallic_oxide,2,"O, Rh, Ru",-3.73,0.22,0.67,0.31,0.313,excellent,3,0.5714285714285714,0.4285714285714286,3,23.57142857142857,2.92,99.14285714285714,12.714285714285714,3.2857142857142856,3.142857142857143,3.44,2.2,1.2399999999999998,134,73,61,45,8,2.28,2.2,0.0799999999999996,134.0,7.333333333333332,15,8,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,27.6,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuRhO2,RuRhO2,bimetallic_oxide,2,"O, Rh, Ru",-2.75,0.128,0.77,0.275,0.281,good,2,0.5,0.5,3,26.25,2.84,103.5,12.25,3.5,3.75,3.44,2.2,1.2399999999999998,134,73,61,45,8,2.28,2.2,0.0799999999999996,134.0,7.5,15,8,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,14.3,18.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuRhO3,RuRhO3,bimetallic_oxide,2,"O, Rh, Ru",-2.03,0.001,1.25,0.355,0.24,good,2,0.6,0.4,3,22.6,2.96,97.4,13.0,3.2,3.0,3.44,2.2,1.2399999999999998,134,73,61,45,8,2.28,2.2,0.0799999999999996,134.0,7.5,15,8,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.0,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuRhO4,RuRhO4,bimetallic_oxide,2,"O, Rh, Ru",-2.83,0.153,0.77,0.183,0.186,good,2,0.6666666666666666,0.3333333333333333,3,20.166666666666664,3.04,93.33333333333331,13.5,3.0,2.5,3.44,2.2,1.2399999999999998,134,73,61,45,8,2.28,2.2,0.0799999999999996,133.99999999999997,7.499999999999998,15,8,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.4,57.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAg2O4,RuAg2O4,bimetallic_oxide,2,"Ag, O, Ru",-2.59,0.402,0.56,0.455,0.28,good,2,0.5714285714285714,0.4285714285714286,3,24.285714285714285,2.831428571428571,102.0,13.428571428571429,3.2857142857142856,3.8571428571428568,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,140.66666666666666,8.999999999999998,17,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,40.5,48.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2AgO4,Ru2AgO4,bimetallic_oxide,2,"Ag, O, Ru",-2.66,0.061,1.34,0.254,0.202,good,2,0.5714285714285714,0.4285714285714286,3,23.85714285714285,2.87,100.57142857142856,13.0,3.2857142857142856,3.4285714285714284,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,137.33333333333331,7.999999999999998,17,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.8,27.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAgO2,RuAgO2,bimetallic_oxide,2,"Ag, O, Ru",-2.51,0.007,0.8,0.296,0.216,good,2,0.5,0.5,3,26.75,2.7525,106.0,12.75,3.5,4.25,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,139.0,8.5,17,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,24.0,45.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAgO3,RuAgO3,bimetallic_oxide,2,"Ag, O, Ru",-2.79,0.186,1.1,0.31,0.318,good,2,0.6,0.4,3,23.0,2.89,99.4,13.4,3.2,3.4000000000000004,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,139.0,8.5,17,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,20.7,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAgO4,RuAgO4,bimetallic_oxide,2,"Ag, O, Ru",-3.05,0.098,1.3,0.39,0.298,good,2,0.6666666666666666,0.3333333333333333,3,20.5,2.9816666666666665,95.0,13.833333333333332,3.0,2.833333333333333,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,138.99999999999997,8.499999999999998,17,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,25.4,10.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuTa2O4,RuTa2O4,bimetallic_oxide,2,"O, Ru, Ta",-2.34,0.069,0.96,0.393,0.336,good,2,0.5714285714285714,0.4285714285714286,3,31.714285714285715,2.708571428571428,102.57142857142856,11.714285714285714,3.571428571428571,1.8571428571428568,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,142.0,4.333333333333333,10,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,61.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2TaO4,Ru2TaO4,bimetallic_oxide,2,"O, Ru, Ta",-2.75,0.189,1.33,0.23,0.281,good,2,0.5714285714285714,0.4285714285714286,3,27.57142857142857,2.8085714285714283,100.85714285714286,12.142857142857142,3.4285714285714284,2.4285714285714284,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,138.0,5.666666666666666,10,7,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.2,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuTaO2,RuTaO2,bimetallic_oxide,2,"O, Ru, Ta",-2.99,0.08,1.04,0.423,0.189,good,2,0.5,0.5,3,33.25,2.645,106.5,11.25,3.75,2.5,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,140.0,5.0,10,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,46.7,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuTaO3,RuTaO3,bimetallic_oxide,2,"O, Ru, Ta",-2.58,0.155,0.45,0.178,0.282,good,2,0.6,0.4,3,28.200000000000003,2.8040000000000003,99.8,12.2,3.4000000000000004,2.0,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,140.0,5.0,10,7,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,54.4,46.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuTaO4,RuTaO4,bimetallic_oxide,2,"O, Ru, Ta",-3.41,0.376,1.17,0.244,0.277,excellent,3,0.6666666666666666,0.3333333333333333,3,24.83333333333333,2.91,95.33333333333331,12.833333333333332,3.1666666666666665,1.6666666666666663,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,139.99999999999997,4.999999999999999,10,7,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,42.7,20.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuRe2O4,RuRe2O4,bimetallic_oxide,2,"O, Re, Ru",-2.63,0.114,1.02,0.3,0.257,good,2,0.5714285714285714,0.4285714285714286,3,32.285714285714285,2.8228571428571425,100.0,12.285714285714285,3.571428571428571,2.4285714285714284,3.44,1.9,1.54,137,73,64,75,8,2.2,1.9,0.3000000000000002,135.99999999999997,5.666666666666666,12,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,18.1,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2ReO4,Ru2ReO4,bimetallic_oxide,2,"O, Re, Ru",-3.19,0.302,1.16,0.303,0.268,excellent,3,0.5714285714285714,0.4285714285714286,3,27.85714285714285,2.8657142857142857,99.57142857142856,12.428571428571429,3.4285714285714284,2.7142857142857144,3.44,1.9,1.54,137,73,64,75,8,2.2,1.9,0.3000000000000002,135.0,6.333333333333332,12,7,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.1,39.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuReO2,RuReO2,bimetallic_oxide,2,"O, Re, Ru",-3.21,0.278,1.04,0.287,0.334,good,2,0.5,0.5,3,33.75,2.745,104.25,11.75,3.75,3.0,3.44,1.9,1.54,137,73,64,75,8,2.2,1.9,0.3000000000000002,135.5,6.0,12,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.2,20.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuReO3,RuReO3,bimetallic_oxide,2,"O, Re, Ru",-2.92,0.193,0.8,0.363,0.156,good,2,0.6,0.4,3,28.6,2.8840000000000003,98.0,12.6,3.4000000000000004,2.4000000000000004,3.44,1.9,1.54,137,73,64,75,8,2.2,1.9,0.3000000000000002,135.5,6.0,12,7,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,24.5,50.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuReO4,RuReO4,bimetallic_oxide,2,"O, Re, Ru",-2.96,0.32,1.49,0.145,0.291,good,2,0.6666666666666666,0.3333333333333333,3,25.166666666666664,2.9766666666666666,93.83333333333331,13.166666666666666,3.1666666666666665,2.0,3.44,1.9,1.54,137,73,64,75,8,2.2,1.9,0.3000000000000002,135.49999999999997,5.999999999999998,12,7,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,32.1,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuIr2O4,RuIr2O4,bimetallic_oxide,2,"Ir, O, Ru",-3.21,0.088,0.54,0.437,0.195,good,2,0.5714285714285714,0.4285714285714286,3,32.857142857142854,2.9085714285714284,99.71428571428572,12.857142857142856,3.571428571428571,3.0,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.33333333333331,6.999999999999999,14,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,31.8,34.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2IrO4,Ru2IrO4,bimetallic_oxide,2,"Ir, O, Ru",-2.13,0.255,0.75,0.216,0.314,good,2,0.5714285714285714,0.4285714285714286,3,28.142857142857142,2.9085714285714284,99.42857142857144,12.714285714285714,3.4285714285714284,3.0,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,134.66666666666666,6.999999999999999,14,7,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,29.3,13.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuIrO2,RuIrO2,bimetallic_oxide,2,"Ir, O, Ru",-3.12,0.317,0.69,0.257,0.254,good,2,0.5,0.5,3,34.25,2.8200000000000003,104.0,12.25,3.75,3.5,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.0,7.0,14,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,41.9,24.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuIrO3,RuIrO3,bimetallic_oxide,2,"Ir, O, Ru",-3.09,0.677,0.79,0.144,0.268,good,2,0.6,0.4,3,29.0,2.944,97.8,13.0,3.4000000000000004,2.8000000000000003,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.0,7.0,14,7,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,32.5,27.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuIrO4,RuIrO4,bimetallic_oxide,2,"Ir, O, Ru",-3.58,0.36,0.81,0.354,0.306,excellent,3,0.6666666666666666,0.3333333333333333,3,25.5,3.0266666666666664,93.66666666666666,13.5,3.1666666666666665,2.333333333333333,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,134.99999999999997,6.999999999999998,14,7,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.1,5.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAu2O4,RuAu2O4,bimetallic_oxide,2,"Au, O, Ru",-3.62,0.089,0.47,0.218,0.222,excellent,3,0.5714285714285714,0.4285714285714286,3,33.42857142857142,3.0057142857142853,102.0,13.428571428571429,3.571428571428571,3.8571428571428568,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,140.66666666666666,8.999999999999998,17,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,56.3,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2AuO4,Ru2AuO4,bimetallic_oxide,2,"Au, O, Ru",-2.67,0.05,0.79,0.136,0.203,good,2,0.5714285714285714,0.4285714285714286,3,28.428571428571427,2.957142857142857,100.57142857142856,13.0,3.4285714285714284,3.4285714285714284,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,137.33333333333331,7.999999999999998,17,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,38.1,38.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAuO2,RuAuO2,bimetallic_oxide,2,"Au, O, Ru",-3.09,0.02,0.66,0.296,0.29,good,2,0.5,0.5,3,34.75,2.905,106.0,12.75,3.75,4.25,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,139.0,8.5,17,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,12.5,59.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAuO3,RuAuO3,bimetallic_oxide,2,"Au, O, Ru",-2.86,0.068,1.19,0.278,0.314,good,2,0.6,0.4,3,29.4,3.012,99.4,13.4,3.4000000000000004,3.4000000000000004,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,139.0,8.5,17,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,19.3,22.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuAuO4,RuAuO4,bimetallic_oxide,2,"Au, O, Ru",-2.98,0.321,0.88,0.297,0.298,good,2,0.6666666666666666,0.3333333333333333,3,25.83333333333333,3.083333333333333,95.0,13.833333333333332,3.1666666666666665,2.833333333333333,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,138.99999999999997,8.499999999999998,17,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,62.6,23.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuSn2O4,RuSn2O4,bimetallic_oxide,2,"O, Ru, Sn",-3.33,0.307,0.47,0.294,0.332,good,2,0.5714285714285714,0.4285714285714286,3,25.142857142857142,2.84,102.28571428571428,14.285714285714285,3.2857142857142856,3.8571428571428568,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,141.33333333333331,8.999999999999998,17,10,0.0,0.4285714285714285,0.0,0.2857142857142857,0,0,0.0,False,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.7,16.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2SnO4,Ru2SnO4,bimetallic_oxide,2,"O, Ru, Sn",-2.61,0.133,1.08,0.222,0.27,good,2,0.5714285714285714,0.4285714285714286,3,24.285714285714285,2.874285714285714,100.71428571428572,13.428571428571429,3.2857142857142856,3.4285714285714284,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,137.66666666666666,7.999999999999998,17,10,0.0,0.4285714285714285,0.0,0.1428571428571428,0,0,0.0,False,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,19.5,32.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuSnO2,RuSnO2,bimetallic_oxide,2,"O, Ru, Sn",-3.04,0.023,1.15,0.262,0.293,good,2,0.5,0.5,3,27.5,2.76,106.25,13.5,3.5,4.25,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,139.5,8.5,17,10,0.0,0.5,0.0,0.25,0,0,0.0,False,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,40.7,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuSnO3,RuSnO3,bimetallic_oxide,2,"O, Ru, Sn",-2.34,0.121,0.67,0.308,0.245,good,2,0.6,0.4,3,23.6,2.896,99.6,14.0,3.2,3.4000000000000004,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,139.5,8.5,17,10,0.0,0.4,0.0,0.2,0,0,0.0,False,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,29.3,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuSnO4,RuSnO4,bimetallic_oxide,2,"O, Ru, Sn",-2.48,0.301,1.5,0.327,0.275,good,2,0.6666666666666666,0.3333333333333333,3,21.0,2.9866666666666664,95.16666666666666,14.333333333333332,3.0,2.833333333333333,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,139.49999999999997,8.499999999999998,17,10,0.0,0.3333333333333333,0.0,0.1666666666666666,0,0,0.0,False,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,55.0,42.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuLa2O4,RuLa2O4,bimetallic_oxide,2,"La, O, Ru",-2.7,0.104,1.16,0.367,0.323,good,2,0.5714285714285714,0.4285714285714286,3,27.142857142857142,2.5942857142857143,114.28571428571428,11.142857142857142,3.571428571428571,1.2857142857142856,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,169.33333333333331,3.0,8,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,32.0,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ru2LaO4,Ru2LaO4,bimetallic_oxide,2,"La, O, Ru",-3.71,0.121,1.4,0.407,0.313,excellent,3,0.5714285714285714,0.4285714285714286,3,25.285714285714285,2.751428571428572,106.71428571428572,11.857142857142856,3.4285714285714284,2.142857142857143,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,151.66666666666666,4.999999999999999,8,7,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,41.8,22.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuLaO2,RuLaO2,bimetallic_oxide,2,"La, O, Ru",-2.81,0.064,1.77,0.281,0.307,good,2,0.5,0.5,3,29.25,2.545,116.75,10.75,3.75,2.0,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,160.5,4.0,8,7,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,45.8,21.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuLaO3,RuLaO3,bimetallic_oxide,2,"La, O, Ru",-2.97,0.023,1.68,0.207,0.304,excellent,3,0.6,0.4,3,25.0,2.724,108.0,11.8,3.4000000000000004,1.6,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,160.5,4.0,8,7,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,28.1,45.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RuLaO4,RuLaO4,bimetallic_oxide,2,"La, O, Ru",-2.63,0.04,0.87,0.279,0.301,good,2,0.6666666666666666,0.3333333333333333,3,22.166666666666664,2.843333333333333,102.16666666666666,12.5,3.1666666666666665,1.3333333333333333,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,160.49999999999997,3.999999999999999,8,7,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,45.1,43.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPd2O4,RhPd2O4,bimetallic_oxide,2,"O, Pd, Rh",-2.57,0.064,0.99,0.337,0.333,good,2,0.5714285714285714,0.4285714285714286,3,24.142857142857142,2.92,100.0,13.285714285714285,3.2857142857142856,4.0,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.28,2.2,0.0799999999999996,135.99999999999997,9.333333333333332,18,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.7,16.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2PdO4,Rh2PdO4,bimetallic_oxide,2,"O, Pd, Rh",-3.64,0.121,0.8,0.424,0.309,excellent,3,0.5714285714285714,0.4285714285714286,3,24.0,2.931428571428571,99.57142857142856,13.142857142857142,3.2857142857142856,3.714285714285714,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.28,2.2,0.0799999999999996,135.0,8.666666666666666,18,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,28.2,36.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPdO2,RhPdO2,bimetallic_oxide,2,"O, Pd, Rh",-3.69,0.081,1.02,0.354,0.302,excellent,3,0.5,0.5,3,26.75,2.84,104.25,12.75,3.5,4.5,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.28,2.2,0.0799999999999996,135.5,9.0,18,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,53.7,29.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPdO3,RhPdO3,bimetallic_oxide,2,"O, Pd, Rh",-2.89,0.289,0.63,0.361,0.257,good,2,0.6,0.4,3,23.0,2.96,98.0,13.4,3.2,3.6,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.28,2.2,0.0799999999999996,135.5,9.0,18,10,0.0,0.4,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,53.0,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPdO4,RhPdO4,bimetallic_oxide,2,"O, Pd, Rh",-2.97,0.05,0.35,0.221,0.283,good,2,0.6666666666666666,0.3333333333333333,3,20.5,3.04,93.83333333333331,13.833333333333332,3.0,3.0,3.44,2.2,1.2399999999999998,137,73,64,46,8,2.28,2.2,0.0799999999999996,135.49999999999997,8.999999999999998,18,10,0.0,0.3333333333333333,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,19.5,28.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhHf2O4,RhHf2O4,bimetallic_oxide,2,"Hf, O, Rh",-3.61,0.066,0.79,0.39,0.381,excellent,3,0.5714285714285714,0.4285714285714286,3,31.57142857142857,2.662857142857143,106.28571428571428,11.571428571428571,3.571428571428571,1.7142857142857142,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,150.66666666666666,4.0,10,8,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,26.9,44.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2HfO4,Rh2HfO4,bimetallic_oxide,2,"Hf, O, Rh",-2.84,0.462,1.28,0.274,0.304,good,2,0.5714285714285714,0.4285714285714286,3,27.71428571428571,2.8028571428571425,102.71428571428572,12.285714285714285,3.4285714285714284,2.571428571428571,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,142.33333333333331,6.0,10,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.0,51.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhHfO2,RhHfO2,bimetallic_oxide,2,"Hf, O, Rh",-3.63,0.006,0.95,0.378,0.378,excellent,3,0.5,0.5,3,33.25,2.615,109.75,11.25,3.75,2.5,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.5,5.0,10,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,57.1,32.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhHfO3,RhHfO3,bimetallic_oxide,2,"Hf, O, Rh",-2.41,0.02,1.22,0.267,0.269,good,2,0.6,0.4,3,28.2,2.78,102.4,12.2,3.4000000000000004,2.0,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.5,5.0,10,8,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.2,41.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhHfO4,RhHfO4,bimetallic_oxide,2,"Hf, O, Rh",-2.67,0.062,0.86,0.243,0.268,good,2,0.6666666666666666,0.3333333333333333,3,24.83333333333333,2.89,97.5,12.833333333333332,3.1666666666666665,1.6666666666666663,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.49999999999997,4.999999999999999,10,8,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.3,38.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhW2O4,RhW2O4,bimetallic_oxide,2,"O, Rh, W",-3.32,0.002,0.46,0.39,0.214,good,2,0.5714285714285714,0.4285714285714286,3,32.14285714285714,2.9657142857142853,100.57142857142856,12.142857142857142,3.571428571428571,2.2857142857142856,3.44,2.28,1.16,139,73,66,74,8,2.36,2.28,0.08,137.33333333333331,5.333333333333333,12,8,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.1,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2WO4,Rh2WO4,bimetallic_oxide,2,"O, Rh, W",-2.12,0.06,0.95,0.235,0.342,good,2,0.5714285714285714,0.4285714285714286,3,28.0,2.954285714285714,99.85714285714286,12.571428571428571,3.4285714285714284,2.8571428571428568,3.44,2.28,1.16,139,73,66,74,8,2.36,2.28,0.08,135.66666666666666,6.666666666666666,12,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.1,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhWO2,RhWO2,bimetallic_oxide,2,"O, Rh, W",-2.95,0.203,0.79,0.177,0.15,good,2,0.5,0.5,3,33.75,2.88,104.75,11.75,3.75,3.0,3.44,2.28,1.16,139,73,66,74,8,2.36,2.28,0.08,136.5,6.0,12,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.9,55.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhWO3,RhWO3,bimetallic_oxide,2,"O, Rh, W",-2.89,0.014,0.82,0.332,0.277,good,2,0.6,0.4,3,28.6,2.992,98.4,12.6,3.4000000000000004,2.4000000000000004,3.44,2.28,1.16,139,73,66,74,8,2.36,2.28,0.08,136.5,6.0,12,8,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.4,27.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhWO4,RhWO4,bimetallic_oxide,2,"O, Rh, W",-2.89,0.117,0.87,0.369,0.255,good,2,0.6666666666666666,0.3333333333333333,3,25.166666666666664,3.0666666666666664,94.16666666666666,13.166666666666666,3.1666666666666665,2.0,3.44,2.28,1.16,139,73,66,74,8,2.36,2.28,0.08,136.49999999999997,5.999999999999999,12,8,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,62.9,13.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhOs2O4,RhOs2O4,bimetallic_oxide,2,"O, Os, Rh",-3.27,0.452,1.3,0.33,0.338,excellent,3,0.5714285714285714,0.4285714285714286,3,32.71428571428571,2.92,99.42857142857144,12.714285714285714,3.571428571428571,2.8571428571428568,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.66666666666666,6.666666666666666,14,8,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,48.4,24.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2OsO4,Rh2OsO4,bimetallic_oxide,2,"O, Os, Rh",-3.28,0.405,0.22,0.381,0.297,good,2,0.5714285714285714,0.4285714285714286,3,28.285714285714285,2.931428571428571,99.28571428571428,12.857142857142856,3.4285714285714284,3.142857142857143,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.33333333333331,7.333333333333333,14,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,63.2,66.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhOsO2,RhOsO2,bimetallic_oxide,2,"O, Os, Rh",-3.0,0.716,1.11,0.336,0.324,good,2,0.5,0.5,3,34.25,2.84,103.75,12.25,3.75,3.5,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.5,7.0,14,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,24.0,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhOsO3,RhOsO3,bimetallic_oxide,2,"O, Os, Rh",-3.13,0.288,0.6,0.346,0.352,good,2,0.6,0.4,3,29.0,2.96,97.6,13.0,3.4000000000000004,2.8000000000000003,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.5,7.0,14,8,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,69.0,51.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhOsO4,RhOsO4,bimetallic_oxide,2,"O, Os, Rh",-2.95,0.069,0.6,0.361,0.355,good,2,0.6666666666666666,0.3333333333333333,3,25.5,3.04,93.5,13.5,3.1666666666666665,2.333333333333333,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.49999999999997,6.999999999999999,14,8,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.7,53.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPt2O4,RhPt2O4,bimetallic_oxide,2,"O, Pt, Rh",-2.97,0.033,0.76,0.331,0.274,good,2,0.5714285714285714,0.4285714285714286,3,33.285714285714285,2.9428571428571426,100.57142857142856,13.285714285714285,3.571428571428571,3.714285714285714,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,137.33333333333331,8.666666666666666,17,9,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,77.7,48.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2PtO4,Rh2PtO4,bimetallic_oxide,2,"O, Pt, Rh",-3.41,0.38,0.85,0.225,0.339,excellent,3,0.5714285714285714,0.4285714285714286,3,28.57142857142857,2.9428571428571426,99.85714285714286,13.142857142857142,3.4285714285714284,3.571428571428571,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,135.66666666666666,8.333333333333332,17,9,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.8,37.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPtO2,RhPtO2,bimetallic_oxide,2,"O, Pt, Rh",-2.55,0.451,0.98,0.281,0.295,good,2,0.5,0.5,3,34.75,2.86,104.75,12.75,3.75,4.25,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,136.5,8.5,17,9,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.7,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPtO3,RhPtO3,bimetallic_oxide,2,"O, Pt, Rh",-3.38,0.084,1.25,0.254,0.167,excellent,3,0.6,0.4,3,29.4,2.976,98.4,13.4,3.4000000000000004,3.4000000000000004,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,136.5,8.5,17,9,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,38.7,48.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhPtO4,RhPtO4,bimetallic_oxide,2,"O, Pt, Rh",-2.79,0.012,1.01,0.309,0.263,good,2,0.6666666666666666,0.3333333333333333,3,25.83333333333333,3.053333333333333,94.16666666666666,13.833333333333332,3.1666666666666665,2.833333333333333,3.44,2.28,1.16,139,73,66,78,8,2.28,2.28,0.0,136.49999999999997,8.499999999999998,17,9,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,46.0,42.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhAl2O4,RhAl2O4,bimetallic_oxide,2,"Al, O, Rh",-2.21,0.181,2.1,0.36,0.389,good,2,0.5714285714285714,0.4285714285714286,3,14.714285714285714,2.751428571428572,94.57142857142856,14.142857142857142,2.714285714285714,1.1428571428571428,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,123.33333333333331,2.6666666666666665,8,8,0.2857142857142857,0.1428571428571428,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,43.9,28.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2AlO4,Rh2AlO4,bimetallic_oxide,2,"Al, O, Rh",-2.58,0.166,1.1,0.179,0.41,good,2,0.5714285714285714,0.4285714285714286,3,19.285714285714285,2.847142857142857,96.85714285714286,13.571428571428571,3.0,2.2857142857142856,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,128.66666666666666,5.333333333333333,8,8,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,30.9,22.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhAlO2,RhAlO2,bimetallic_oxide,2,"Al, O, Rh",-2.86,0.049,1.48,0.321,0.365,good,2,0.5,0.5,3,18.5,2.6925,99.5,13.5,3.0,2.0,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,126.0,4.0,8,8,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.0,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhAlO3,RhAlO3,bimetallic_oxide,2,"Al, O, Rh",-3.19,0.251,1.92,0.35,0.439,excellent,3,0.6,0.4,3,16.4,2.842,94.2,14.0,2.8,1.6,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,126.0,4.0,8,8,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,18.3,58.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhAlO4,RhAlO4,bimetallic_oxide,2,"Al, O, Rh",-2.21,0.061,2.12,0.223,0.371,good,2,0.6666666666666666,0.3333333333333333,3,15.0,2.9416666666666664,90.66666666666666,14.333333333333332,2.6666666666666665,1.3333333333333333,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,125.99999999999996,4.0,8,8,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.8,18.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhBi2O4,RhBi2O4,bimetallic_oxide,2,"Bi, O, Rh",-3.75,0.067,1.25,0.259,0.218,excellent,3,0.5714285714285714,0.4285714285714286,3,34.71428571428571,2.8685714285714283,101.71428571428572,14.714285714285714,3.571428571428571,4.0,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,139.99999999999997,9.333333333333332,18,10,0.0,0.1428571428571428,0.2857142857142857,0.2857142857142857,0,0,0.0,False,True,True,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,45.3,12.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2BiO4,Rh2BiO4,bimetallic_oxide,2,"Bi, O, Rh",-3.19,0.063,0.61,0.275,0.259,good,2,0.5714285714285714,0.4285714285714286,3,29.285714285714285,2.905714285714285,100.42857142857144,13.857142857142856,3.4285714285714284,3.714285714285714,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,137.0,8.666666666666666,18,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,32.3,52.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhBiO2,RhBiO2,bimetallic_oxide,2,"Bi, O, Rh",-2.83,0.148,1.0,0.17,0.256,good,2,0.5,0.5,3,36.0,2.795,105.75,14.0,3.75,4.5,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,138.5,9.0,18,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,29.9,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhBiO3,RhBiO3,bimetallic_oxide,2,"Bi, O, Rh",-2.68,0.195,0.66,0.348,0.286,good,2,0.6,0.4,3,30.4,2.924,99.2,14.4,3.4000000000000004,3.6,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,138.5,9.0,18,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,26.5,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhBiO4,RhBiO4,bimetallic_oxide,2,"Bi, O, Rh",-3.27,0.078,0.85,0.19,0.314,good,2,0.6666666666666666,0.3333333333333333,3,26.666666666666664,3.01,94.83333333333331,14.666666666666666,3.1666666666666665,3.0,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,138.49999999999997,8.999999999999998,18,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,25.7,33.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhCe2O4,RhCe2O4,bimetallic_oxide,2,"Ce, O, Rh",-2.07,0.003,1.0,0.329,0.461,good,2,0.5714285714285714,0.4285714285714286,3,27.57142857142857,2.611428571428571,112.85714285714286,11.285714285714285,3.571428571428571,1.4285714285714284,3.44,1.12,2.32,182,73,109,58,8,2.28,1.12,1.1599999999999997,166.0,3.333333333333333,9,8,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,31.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Rh2CeO4,Rh2CeO4,bimetallic_oxide,2,"Ce, O, Rh",-2.99,0.184,1.4,0.101,0.379,good,2,0.5714285714285714,0.4285714285714286,3,25.71428571428571,2.7771428571428567,106.0,12.142857142857142,3.4285714285714284,2.4285714285714284,3.44,1.12,2.32,182,73,109,58,8,2.28,1.12,1.1599999999999997,150.0,5.666666666666666,9,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,46.2,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhCeO2,RhCeO2,bimetallic_oxide,2,"Ce, O, Rh",-3.22,0.063,1.3,0.338,0.233,excellent,3,0.5,0.5,3,29.75,2.57,115.5,11.0,3.75,2.25,3.44,1.12,2.32,182,73,109,58,8,2.28,1.12,1.1599999999999997,158.0,4.5,9,8,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,38.8,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhCeO3,RhCeO3,bimetallic_oxide,2,"Ce, O, Rh",-2.66,0.078,1.19,0.455,0.308,good,2,0.6,0.4,3,25.4,2.744,107.0,12.0,3.4000000000000004,1.8,3.44,1.12,2.32,182,73,109,58,8,2.28,1.12,1.1599999999999997,158.0,4.5,9,8,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,7.4,41.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_RhCeO4,RhCeO4,bimetallic_oxide,2,"Ce, O, Rh",-2.19,0.028,1.23,0.248,0.273,good,2,0.6666666666666666,0.3333333333333333,3,22.5,2.8599999999999994,101.33333333333331,12.666666666666666,3.1666666666666665,1.5,3.44,1.12,2.32,182,73,109,58,8,2.28,1.12,1.1599999999999997,157.99999999999997,4.499999999999999,9,8,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,30.6,27.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdHf2O4,PdHf2O4,bimetallic_oxide,2,"Hf, O, Pd",-3.72,0.265,1.59,0.421,0.315,excellent,3,0.5714285714285714,0.4285714285714286,3,31.71428571428571,2.6514285714285712,106.71428571428572,11.714285714285714,3.571428571428571,2.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,151.66666666666663,4.666666666666666,12,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,44.7,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2HfO4,Pd2HfO4,bimetallic_oxide,2,"Hf, O, Pd",-2.54,0.325,0.84,0.239,0.252,good,2,0.5714285714285714,0.4285714285714286,3,28.0,2.78,103.57142857142856,12.571428571428571,3.4285714285714284,3.1428571428571423,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,144.33333333333331,7.333333333333332,12,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,42.4,48.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdHfO2,PdHfO2,bimetallic_oxide,2,"Hf, O, Pd",-2.85,0.064,1.51,0.377,0.273,good,2,0.5,0.5,3,33.5,2.595,110.5,11.5,3.75,3.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,148.0,6.0,12,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,42.6,39.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdHfO3,PdHfO3,bimetallic_oxide,2,"Hf, O, Pd",-2.76,0.028,0.93,0.406,0.278,good,2,0.6,0.4,3,28.4,2.764,103.0,12.4,3.4000000000000004,2.4,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,148.0,6.0,12,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,48.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdHfO4,PdHfO4,bimetallic_oxide,2,"Hf, O, Pd",-3.39,0.005,1.18,0.328,0.162,excellent,3,0.6666666666666666,0.3333333333333333,3,25.0,2.8766666666666665,98.0,13.0,3.1666666666666665,2.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,147.99999999999997,5.999999999999999,12,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.9,32.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdW2O4,PdW2O4,bimetallic_oxide,2,"O, Pd, W",-2.9,0.299,0.69,0.272,0.32,good,2,0.5714285714285714,0.4285714285714286,3,32.285714285714285,2.954285714285714,101.0,12.285714285714285,3.571428571428571,2.571428571428571,3.44,2.2,1.2399999999999998,139,73,66,74,8,2.36,2.2,0.1599999999999997,138.33333333333331,5.999999999999999,14,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,57.9,46.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2WO4,Pd2WO4,bimetallic_oxide,2,"O, Pd, W",-3.12,0.142,0.32,0.217,0.189,good,2,0.5714285714285714,0.4285714285714286,3,28.285714285714285,2.931428571428571,100.71428571428572,12.857142857142856,3.4285714285714284,3.428571428571428,3.44,2.2,1.2399999999999998,139,73,66,74,8,2.36,2.2,0.1599999999999997,137.66666666666663,7.999999999999998,14,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,58.1,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdWO2,PdWO2,bimetallic_oxide,2,"O, Pd, W",-2.54,0.188,0.58,0.23,0.223,good,2,0.5,0.5,3,34.0,2.86,105.5,12.0,3.75,3.5,3.44,2.2,1.2399999999999998,139,73,66,74,8,2.36,2.2,0.1599999999999997,138.0,7.0,14,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.5,26.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdWO3,PdWO3,bimetallic_oxide,2,"O, Pd, W",-3.22,0.083,1.15,0.37,0.351,excellent,3,0.6,0.4,3,28.8,2.976,99.0,12.8,3.4000000000000004,2.8,3.44,2.2,1.2399999999999998,139,73,66,74,8,2.36,2.2,0.1599999999999997,138.0,7.0,14,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,55.0,42.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdWO4,PdWO4,bimetallic_oxide,2,"O, Pd, W",-2.67,0.052,0.37,0.28,0.235,good,2,0.6666666666666666,0.3333333333333333,3,25.33333333333333,3.053333333333333,94.66666666666666,13.333333333333332,3.1666666666666665,2.333333333333333,3.44,2.2,1.2399999999999998,139,73,66,74,8,2.36,2.2,0.1599999999999997,137.99999999999997,6.999999999999999,14,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.3,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdOs2O4,PdOs2O4,bimetallic_oxide,2,"O, Os, Pd",-3.31,0.098,1.11,0.314,0.27,excellent,3,0.5714285714285714,0.4285714285714286,3,32.857142857142854,2.9085714285714284,99.85714285714286,12.857142857142856,3.571428571428571,3.1428571428571423,3.44,2.2,1.2399999999999998,137,73,64,76,8,2.2,2.2,0.0,135.66666666666663,7.333333333333332,16,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.8,43.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2OsO4,Pd2OsO4,bimetallic_oxide,2,"O, Os, Pd",-3.28,0.044,1.05,0.283,0.235,excellent,3,0.5714285714285714,0.4285714285714286,3,28.57142857142857,2.9085714285714284,100.14285714285714,13.142857142857142,3.4285714285714284,3.714285714285714,3.44,2.2,1.2399999999999998,137,73,64,76,8,2.2,2.2,0.0,136.33333333333331,8.666666666666664,16,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,37.2,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdOsO2,PdOsO2,bimetallic_oxide,2,"O, Os, Pd",-2.64,0.011,0.85,0.246,0.15,good,2,0.5,0.5,3,34.5,2.8200000000000003,104.5,12.5,3.75,4.0,3.44,2.2,1.2399999999999998,137,73,64,76,8,2.2,2.2,0.0,136.0,8.0,16,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,38.3,16.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdOsO3,PdOsO3,bimetallic_oxide,2,"O, Os, Pd",-2.14,0.218,0.38,0.309,0.254,good,2,0.6,0.4,3,29.200000000000003,2.944,98.2,13.2,3.4000000000000004,3.2,3.44,2.2,1.2399999999999998,137,73,64,76,8,2.2,2.2,0.0,136.0,8.0,16,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,45.4,51.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdOsO4,PdOsO4,bimetallic_oxide,2,"O, Os, Pd",-2.76,0.059,0.58,0.492,0.271,good,2,0.6666666666666666,0.3333333333333333,3,25.666666666666664,3.0266666666666664,94.0,13.666666666666666,3.1666666666666665,2.6666666666666665,3.44,2.2,1.2399999999999998,137,73,64,76,8,2.2,2.2,0.0,135.99999999999997,7.999999999999998,16,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,15.7,31.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdPt2O4,PdPt2O4,bimetallic_oxide,2,"O, Pd, Pt",-3.44,0.258,0.81,0.265,0.232,excellent,3,0.5714285714285714,0.4285714285714286,3,33.42857142857143,2.931428571428571,101.0,13.428571428571429,3.571428571428571,4.0,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,138.33333333333331,9.333333333333332,19,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,44.1,9.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2PtO4,Pd2PtO4,bimetallic_oxide,2,"O, Pd, Pt",-3.14,0.05,0.43,0.285,0.232,good,2,0.5714285714285714,0.4285714285714286,3,28.85714285714285,2.92,100.71428571428572,13.428571428571429,3.4285714285714284,4.142857142857142,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,137.66666666666663,9.666666666666664,19,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.7,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdPtO2,PdPtO2,bimetallic_oxide,2,"O, Pd, Pt",-2.47,0.161,0.79,0.267,0.308,good,2,0.5,0.5,3,35.0,2.84,105.5,13.0,3.75,4.75,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,138.0,9.5,19,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,18.4,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdPtO3,PdPtO3,bimetallic_oxide,2,"O, Pd, Pt",-1.99,0.12,0.78,0.328,0.309,good,2,0.6,0.4,3,29.6,2.96,99.0,13.6,3.4000000000000004,3.8,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,138.0,9.5,19,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.3,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdPtO4,PdPtO4,bimetallic_oxide,2,"O, Pd, Pt",-3.13,0.17,0.96,0.254,0.193,good,2,0.6666666666666666,0.3333333333333333,3,26.0,3.04,94.66666666666666,14.0,3.1666666666666665,3.1666666666666665,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,137.99999999999997,9.499999999999998,19,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,18.7,34.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdAl2O4,PdAl2O4,bimetallic_oxide,2,"Al, O, Pd",-2.38,0.294,1.85,0.471,0.337,good,2,0.5714285714285714,0.4285714285714286,3,14.857142857142856,2.74,95.0,14.285714285714285,2.714285714285714,1.4285714285714284,3.44,1.61,1.83,137,73,64,46,8,2.2,1.61,0.5900000000000001,124.33333333333331,3.3333333333333326,10,10,0.2857142857142857,0.1428571428571428,0.0,0.2857142857142857,0,0,0.0,True,True,False,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.1,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2AlO4,Pd2AlO4,bimetallic_oxide,2,"Al, O, Pd",-3.92,0.018,0.97,0.334,0.259,excellent,3,0.5714285714285714,0.4285714285714286,3,19.57142857142857,2.8242857142857143,97.71428571428572,13.857142857142856,3.0,2.8571428571428568,3.44,1.61,1.83,137,73,64,46,8,2.2,1.61,0.5900000000000001,130.66666666666663,6.666666666666665,10,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,29.7,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdAlO2,PdAlO2,bimetallic_oxide,2,"Al, O, Pd",-2.85,0.011,1.06,0.388,0.333,good,2,0.5,0.5,3,18.75,2.6725,100.25,13.75,3.0,2.5,3.44,1.61,1.83,137,73,64,46,8,2.2,1.61,0.5900000000000001,127.5,5.0,10,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,48.8,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdAlO3,PdAlO3,bimetallic_oxide,2,"Al, O, Pd",-2.24,0.12,1.21,0.376,0.327,good,2,0.6,0.4,3,16.6,2.826,94.8,14.2,2.8,2.0,3.44,1.61,1.83,137,73,64,46,8,2.2,1.61,0.5900000000000001,127.5,5.0,10,10,0.2,0.2,0.0,0.2,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,23.9,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdAlO4,PdAlO4,bimetallic_oxide,2,"Al, O, Pd",-1.91,0.297,1.52,0.383,0.364,good,2,0.6666666666666666,0.3333333333333333,3,15.166666666666666,2.928333333333333,91.16666666666666,14.5,2.6666666666666665,1.6666666666666663,3.44,1.61,1.83,137,73,64,46,8,2.2,1.61,0.5900000000000001,127.49999999999996,4.999999999999999,10,10,0.1666666666666666,0.1666666666666666,0.0,0.1666666666666666,0,0,0.0,True,True,False,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.6,12.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdBi2O4,PdBi2O4,bimetallic_oxide,2,"Bi, O, Pd",-3.09,0.508,0.35,0.33,0.273,good,2,0.5714285714285714,0.4285714285714286,3,34.857142857142854,2.8571428571428568,102.14285714285714,14.857142857142856,3.571428571428571,4.285714285714285,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,140.99999999999997,9.999999999999998,20,10,0.0,0.1428571428571428,0.2857142857142857,0.2857142857142857,0,0,0.0,False,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,16.2,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2BiO4,Pd2BiO4,bimetallic_oxide,2,"Bi, O, Pd",-3.63,0.043,0.97,0.245,0.267,excellent,3,0.5714285714285714,0.4285714285714286,3,29.57142857142857,2.8828571428571426,101.28571428571428,14.142857142857142,3.4285714285714284,4.285714285714285,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,138.99999999999997,9.999999999999998,20,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,10.8,16.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdBiO2,PdBiO2,bimetallic_oxide,2,"Bi, O, Pd",-3.37,0.112,0.82,0.203,0.263,excellent,3,0.5,0.5,3,36.25,2.775,106.5,14.25,3.75,5.0,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,140.0,10.0,20,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,66.1,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdBiO3,PdBiO3,bimetallic_oxide,2,"Bi, O, Pd",-2.47,0.121,1.45,0.313,0.237,good,2,0.6,0.4,3,30.6,2.9080000000000004,99.8,14.6,3.4000000000000004,4.0,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,140.0,10.0,20,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,7.3,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdBiO4,PdBiO4,bimetallic_oxide,2,"Bi, O, Pd",-2.84,0.04,0.49,0.443,0.291,good,2,0.6666666666666666,0.3333333333333333,3,26.83333333333333,2.996666666666666,95.33333333333331,14.833333333333332,3.1666666666666665,3.333333333333333,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.99999999999997,9.999999999999998,20,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.3,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdCe2O4,PdCe2O4,bimetallic_oxide,2,"Ce, O, Pd",-2.84,0.045,1.14,0.292,0.288,good,2,0.5714285714285714,0.4285714285714286,3,27.71428571428571,2.6,113.28571428571428,11.428571428571429,3.571428571428571,1.714285714285714,3.44,1.12,2.32,182,73,109,58,8,2.2,1.12,1.08,167.0,3.999999999999999,11,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,True,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,31.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pd2CeO4,Pd2CeO4,bimetallic_oxide,2,"Ce, O, Pd",-2.69,0.259,1.59,0.209,0.241,good,2,0.5714285714285714,0.4285714285714286,3,26.0,2.754285714285714,106.85714285714286,12.428571428571429,3.4285714285714284,3.0,3.44,1.12,2.32,182,73,109,58,8,2.2,1.12,1.08,151.99999999999997,6.999999999999998,11,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,58.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdCeO2,PdCeO2,bimetallic_oxide,2,"Ce, O, Pd",-3.13,0.123,1.14,0.267,0.229,good,2,0.5,0.5,3,30.0,2.55,116.25,11.25,3.75,2.75,3.44,1.12,2.32,182,73,109,58,8,2.2,1.12,1.08,159.5,5.5,11,10,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,47.8,7.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdCeO3,PdCeO3,bimetallic_oxide,2,"Ce, O, Pd",-2.79,0.222,0.98,0.387,0.205,good,2,0.6,0.4,3,25.6,2.728,107.6,12.2,3.4000000000000004,2.2,3.44,1.12,2.32,182,73,109,58,8,2.2,1.12,1.08,159.5,5.5,11,10,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,48.4,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PdCeO4,PdCeO4,bimetallic_oxide,2,"Ce, O, Pd",-2.56,0.09,1.42,0.399,0.287,good,2,0.6666666666666666,0.3333333333333333,3,22.666666666666664,2.8466666666666662,101.83333333333331,12.833333333333332,3.1666666666666665,1.8333333333333333,3.44,1.12,2.32,182,73,109,58,8,2.2,1.12,1.08,159.49999999999997,5.499999999999999,11,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,31.3,26.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgTa2O4,AgTa2O4,bimetallic_oxide,2,"Ag, O, Ta",-4.01,0.467,0.94,0.407,0.317,excellent,3,0.5714285714285714,0.4285714285714286,3,32.14285714285714,2.67,104.0,12.142857142857142,3.571428571428571,2.2857142857142856,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,145.33333333333331,5.333333333333332,13,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,33.1,10.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ag2TaO4,Ag2TaO4,bimetallic_oxide,2,"Ag, O, Ta",-3.28,0.009,1.64,0.278,0.177,excellent,3,0.5714285714285714,0.4285714285714286,3,28.428571428571427,2.7314285714285718,103.71428571428572,13.0,3.4285714285714284,3.285714285714285,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,144.66666666666666,7.666666666666665,13,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.9,43.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgTaO2,AgTaO2,bimetallic_oxide,2,"Ag, O, Ta",-2.2,0.057,0.58,0.438,0.429,good,2,0.5,0.5,3,34.0,2.5775,109.0,12.0,3.75,3.25,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,145.0,6.5,13,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.2,17.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgTaO3,AgTaO3,bimetallic_oxide,2,"Ag, O, Ta",-3.21,0.037,0.97,0.34,0.267,good,2,0.6,0.4,3,28.8,2.75,101.8,12.8,3.4000000000000004,2.6,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,145.0,6.5,13,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,35.5,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgTaO4,AgTaO4,bimetallic_oxide,2,"Ag, O, Ta",-3.13,0.014,0.8,0.34,0.206,good,2,0.6666666666666666,0.3333333333333333,3,25.33333333333333,2.865,97.0,13.333333333333332,3.1666666666666665,2.1666666666666665,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,144.99999999999997,6.499999999999999,13,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.3,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgRe2O4,AgRe2O4,bimetallic_oxide,2,"Ag, O, Re",-3.15,0.071,0.51,0.271,0.195,good,2,0.5714285714285714,0.4285714285714286,3,32.71428571428571,2.784285714285714,101.42857142857142,12.714285714285714,3.571428571428571,2.8571428571428568,3.44,1.9,1.54,144,73,71,75,8,1.93,1.9,0.03,139.33333333333331,6.666666666666665,15,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,10.4,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ag2ReO4,Ag2ReO4,bimetallic_oxide,2,"Ag, O, Re",-2.79,0.194,1.08,0.21,0.273,good,2,0.5714285714285714,0.4285714285714286,3,28.71428571428571,2.7885714285714283,102.42857142857142,13.285714285714285,3.4285714285714284,3.571428571428571,3.44,1.9,1.54,144,73,71,75,8,1.93,1.9,0.03,141.66666666666663,8.333333333333332,15,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.8,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgReO2,AgReO2,bimetallic_oxide,2,"Ag, O, Re",-2.27,0.004,1.16,0.198,0.298,good,2,0.5,0.5,3,34.5,2.6775,106.75,12.5,3.75,3.75,3.44,1.9,1.54,144,73,71,75,8,1.93,1.9,0.03,140.5,7.5,15,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.4,59.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgReO3,AgReO3,bimetallic_oxide,2,"Ag, O, Re",-3.1,0.189,1.07,0.291,0.288,good,2,0.6,0.4,3,29.2,2.83,100.0,13.2,3.4000000000000004,3.0,3.44,1.9,1.54,144,73,71,75,8,1.93,1.9,0.03,140.5,7.5,15,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,32.1,32.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgReO4,AgReO4,bimetallic_oxide,2,"Ag, O, Re",-3.74,0.04,1.09,0.315,0.308,excellent,3,0.6666666666666666,0.3333333333333333,3,25.666666666666664,2.931666666666666,95.5,13.666666666666666,3.1666666666666665,2.5,3.44,1.9,1.54,144,73,71,75,8,1.93,1.9,0.03,140.49999999999997,7.499999999999998,15,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,25.4,19.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgIr2O4,AgIr2O4,bimetallic_oxide,2,"Ag, Ir, O",-3.0,0.033,0.87,0.135,0.325,good,2,0.5714285714285714,0.4285714285714286,3,33.285714285714285,2.87,101.14285714285714,13.285714285714285,3.571428571428571,3.4285714285714284,3.44,1.93,1.51,144,73,71,77,8,2.2,1.93,0.2700000000000002,138.66666666666666,7.999999999999998,17,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,58.0,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ag2IrO4,Ag2IrO4,bimetallic_oxide,2,"Ag, Ir, O",-3.05,0.139,0.9,0.152,0.234,good,2,0.5714285714285714,0.4285714285714286,3,29.0,2.831428571428571,102.28571428571428,13.571428571428571,3.4285714285714284,3.8571428571428568,3.44,1.93,1.51,144,73,71,77,8,2.2,1.93,0.2700000000000002,141.33333333333331,8.999999999999998,17,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,51.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgIrO2,AgIrO2,bimetallic_oxide,2,"Ag, Ir, O",-3.13,0.34,1.31,0.376,0.29,excellent,3,0.5,0.5,3,35.0,2.7525,106.5,13.0,3.75,4.25,3.44,1.93,1.51,144,73,71,77,8,2.2,1.93,0.2700000000000002,140.0,8.5,17,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,55.6,51.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgIrO3,AgIrO3,bimetallic_oxide,2,"Ag, Ir, O",-3.02,0.237,0.56,0.339,0.316,good,2,0.6,0.4,3,29.6,2.89,99.8,13.6,3.4000000000000004,3.4000000000000004,3.44,1.93,1.51,144,73,71,77,8,2.2,1.93,0.2700000000000002,140.0,8.5,17,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,5.8,10.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgIrO4,AgIrO4,bimetallic_oxide,2,"Ag, Ir, O",-3.35,0.127,1.69,0.247,0.395,excellent,3,0.6666666666666666,0.3333333333333333,3,26.0,2.9816666666666665,95.33333333333331,14.0,3.1666666666666665,2.833333333333333,3.44,1.93,1.51,144,73,71,77,8,2.2,1.93,0.2700000000000002,139.99999999999997,8.499999999999998,17,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,53.0,29.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgAu2O4,AgAu2O4,bimetallic_oxide,2,"Ag, Au, O",-3.1,0.347,0.8,0.179,0.161,good,2,0.5714285714285714,0.4285714285714286,3,33.857142857142854,2.967142857142857,103.42857142857142,13.857142857142856,3.571428571428571,4.285714285714285,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,143.99999999999997,9.999999999999998,20,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.8,35.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ag2AuO4,Ag2AuO4,bimetallic_oxide,2,"Ag, Au, O",-3.73,0.191,0.61,0.234,0.268,excellent,3,0.5714285714285714,0.4285714285714286,3,29.285714285714285,2.88,103.42857142857142,13.857142857142856,3.4285714285714284,4.285714285714285,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,143.99999999999997,9.999999999999998,20,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,36.8,29.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgAuO2,AgAuO2,bimetallic_oxide,2,"Ag, Au, O",-2.97,0.064,0.96,0.345,0.213,good,2,0.5,0.5,3,35.5,2.8375,108.5,13.5,3.75,5.0,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,144.0,10.0,20,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.1,32.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgAuO3,AgAuO3,bimetallic_oxide,2,"Ag, Au, O",-2.53,0.151,1.45,0.413,0.214,good,2,0.6,0.4,3,30.0,2.958,101.4,14.0,3.4000000000000004,4.0,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,144.0,10.0,20,10,0.0,0.2,0.2,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.6,34.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgAuO4,AgAuO4,bimetallic_oxide,2,"Ag, Au, O",-2.62,0.084,1.06,0.189,0.301,good,2,0.6666666666666666,0.3333333333333333,3,26.33333333333333,3.038333333333333,96.66666666666666,14.333333333333332,3.1666666666666665,3.333333333333333,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,143.99999999999997,9.999999999999998,20,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.7,44.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgSn2O4,AgSn2O4,bimetallic_oxide,2,"Ag, O, Sn",-2.14,0.391,1.12,0.349,0.255,good,2,0.5714285714285714,0.4285714285714286,3,25.57142857142857,2.801428571428571,103.71428571428572,14.714285714285714,3.2857142857142856,4.285714285714285,3.44,1.93,1.51,145,73,72,50,8,1.96,1.93,0.03,144.66666666666663,9.999999999999998,20,10,0.0,0.4285714285714285,0.0,0.2857142857142857,0,0,0.0,False,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,52.5,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ag2SnO4,Ag2SnO4,bimetallic_oxide,2,"Ag, O, Sn",-2.97,0.085,1.5,0.277,0.354,good,2,0.5714285714285714,0.4285714285714286,3,25.14285714285714,2.7971428571428567,103.57142857142856,14.285714285714285,3.2857142857142856,4.285714285714285,3.44,1.93,1.51,145,73,72,50,8,1.96,1.93,0.03,144.33333333333331,9.999999999999998,20,10,0.0,0.4285714285714285,0.0,0.1428571428571428,0,0,0.0,False,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,60.8,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgSnO2,AgSnO2,bimetallic_oxide,2,"Ag, O, Sn",-2.97,0.063,0.9,0.301,0.194,good,2,0.5,0.5,3,28.25,2.6925,108.75,14.25,3.5,5.0,3.44,1.93,1.51,145,73,72,50,8,1.96,1.93,0.03,144.5,10.0,20,10,0.0,0.5,0.0,0.25,0,0,0.0,False,True,False,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,80.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgSnO3,AgSnO3,bimetallic_oxide,2,"Ag, O, Sn",-3.48,0.206,1.19,0.183,0.251,excellent,3,0.6,0.4,3,24.2,2.842,101.6,14.6,3.2,4.0,3.44,1.93,1.51,145,73,72,50,8,1.96,1.93,0.03,144.5,10.0,20,10,0.0,0.4,0.0,0.2,0,0,0.0,False,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,70.5,36.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgSnO4,AgSnO4,bimetallic_oxide,2,"Ag, O, Sn",-3.43,0.577,0.99,0.377,0.197,excellent,3,0.6666666666666666,0.3333333333333333,3,21.5,2.9416666666666664,96.83333333333331,14.833333333333332,3.0,3.333333333333333,3.44,1.93,1.51,145,73,72,50,8,1.96,1.93,0.03,144.49999999999997,9.999999999999998,20,10,0.0,0.3333333333333333,0.0,0.1666666666666666,0,0,0.0,False,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,20.8,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgLa2O4,AgLa2O4,bimetallic_oxide,2,"Ag, La, O",-3.06,0.006,0.76,0.264,0.355,good,2,0.5714285714285714,0.4285714285714286,3,27.57142857142857,2.5557142857142856,115.71428571428572,11.571428571428571,3.571428571428571,1.714285714285714,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,172.66666666666663,3.999999999999999,11,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.2857142857142857,False,True,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,66.7,15.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ag2LaO4,Ag2LaO4,bimetallic_oxide,2,"Ag, La, O",-3.36,0.041,1.3,0.34,0.351,excellent,3,0.5714285714285714,0.4285714285714286,3,26.14285714285714,2.674285714285714,109.57142857142856,12.714285714285714,3.4285714285714284,3.0,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,158.33333333333331,6.999999999999998,11,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,5.0,32.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgLaO2,AgLaO2,bimetallic_oxide,2,"Ag, La, O",-2.73,0.211,0.95,0.18,0.283,good,2,0.5,0.5,3,30.0,2.4775,119.25,11.5,3.75,2.75,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,165.5,5.5,11,10,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,34.4,92.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgLaO3,AgLaO3,bimetallic_oxide,2,"Ag, La, O",-2.84,0.061,1.37,0.287,0.298,good,2,0.6,0.4,3,25.6,2.67,110.0,12.4,3.4000000000000004,2.2,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,165.5,5.5,11,10,0.0,0.2,0.2,0.0,0,0,0.2,False,True,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,60.6,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AgLaO4,AgLaO4,bimetallic_oxide,2,"Ag, La, O",-2.78,0.042,0.84,0.317,0.299,good,2,0.6666666666666666,0.3333333333333333,3,22.666666666666664,2.798333333333333,103.83333333333331,13.0,3.1666666666666665,1.8333333333333333,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,165.49999999999997,5.499999999999999,11,10,0.0,0.1666666666666666,0.1666666666666666,0.0,0,0,0.1666666666666666,False,True,True,True,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,22.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfTa2O4,HfTa2O4,bimetallic_oxide,2,"Hf, O, Ta",-3.15,0.155,0.75,0.257,0.327,good,2,0.5714285714285714,0.4285714285714286,3,35.714285714285715,2.58,106.14285714285714,11.142857142857142,3.714285714285714,1.1428571428571428,3.44,1.3,2.14,159,73,86,73,8,1.5,1.3,0.1999999999999999,150.33333333333331,2.6666666666666665,5,3,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.2,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Hf2TaO4,Hf2TaO4,bimetallic_oxide,2,"Hf, O, Ta",-3.25,0.182,1.32,0.5,0.413,excellent,3,0.5714285714285714,0.4285714285714286,3,35.57142857142857,2.551428571428571,108.0,11.0,3.714285714285714,1.0,3.44,1.3,2.14,159,73,86,73,8,1.5,1.3,0.1999999999999999,154.66666666666666,2.333333333333333,5,3,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.9,8.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfTaO2,HfTaO2,bimetallic_oxide,2,"Hf, O, Ta",-3.09,0.626,1.55,0.345,0.3,excellent,3,0.5,0.5,3,40.25,2.42,112.75,10.25,4.0,1.25,3.44,1.3,2.14,159,73,86,73,8,1.5,1.3,0.1999999999999999,152.5,2.5,5,3,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.8,57.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfTaO3,HfTaO3,bimetallic_oxide,2,"Hf, O, Ta",-2.97,0.029,1.23,0.322,0.366,good,2,0.6,0.4,3,33.800000000000004,2.624,104.8,11.4,3.6000000000000005,1.0,3.44,1.3,2.14,159,73,86,73,8,1.5,1.3,0.1999999999999999,152.5,2.5,5,3,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.1,10.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfTaO4,HfTaO4,bimetallic_oxide,2,"Hf, O, Ta",-2.61,0.01,1.26,0.361,0.309,good,2,0.6666666666666666,0.3333333333333333,3,29.5,2.76,99.5,12.166666666666666,3.333333333333333,0.8333333333333333,3.44,1.3,2.14,159,73,86,73,8,1.5,1.3,0.1999999999999999,152.49999999999997,2.5,5,3,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,42.4,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfRe2O4,HfRe2O4,bimetallic_oxide,2,"Hf, O, Re",-2.48,0.22,1.23,0.477,0.308,good,2,0.5714285714285714,0.4285714285714286,3,36.285714285714285,2.694285714285714,103.57142857142856,11.714285714285714,3.714285714285714,1.714285714285714,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,144.33333333333331,3.999999999999999,7,5,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,53.7,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Hf2ReO4,Hf2ReO4,bimetallic_oxide,2,"Hf, O, Re",-3.17,0.078,0.47,0.167,0.324,good,2,0.5714285714285714,0.4285714285714286,3,35.857142857142854,2.6085714285714285,106.71428571428572,11.285714285714285,3.714285714285714,1.2857142857142856,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,151.66666666666663,3.0,7,5,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,62.4,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfReO2,HfReO2,bimetallic_oxide,2,"Hf, O, Re",-2.38,0.187,1.1,0.204,0.336,good,2,0.5,0.5,3,40.75,2.52,110.5,10.75,4.0,1.75,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,148.0,3.5,7,5,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,58.1,49.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfReO3,HfReO3,bimetallic_oxide,2,"Hf, O, Re",-3.4,0.047,0.9,0.279,0.277,excellent,3,0.6,0.4,3,34.2,2.704,103.0,11.8,3.6000000000000005,1.4,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,148.0,3.5,7,5,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.1,61.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfReO4,HfReO4,bimetallic_oxide,2,"Hf, O, Re",-3.18,0.009,1.14,0.275,0.314,good,2,0.6666666666666666,0.3333333333333333,3,29.83333333333333,2.826666666666666,98.0,12.5,3.333333333333333,1.1666666666666663,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,147.99999999999997,3.5,7,5,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,58.9,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfIr2O4,HfIr2O4,bimetallic_oxide,2,"Hf, Ir, O",-3.84,0.032,1.26,0.253,0.235,excellent,3,0.5714285714285714,0.4285714285714286,3,36.85714285714285,2.78,103.28571428571428,12.285714285714285,3.714285714285714,2.2857142857142856,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,143.66666666666666,5.333333333333333,9,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.1,33.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Hf2IrO4,Hf2IrO4,bimetallic_oxide,2,"Hf, Ir, O",-3.28,0.02,1.22,0.308,0.31,excellent,3,0.5714285714285714,0.4285714285714286,3,36.14285714285714,2.6514285714285712,106.57142857142856,11.571428571428571,3.714285714285714,1.5714285714285714,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,151.33333333333331,3.666666666666666,9,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.8,50.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfIrO2,HfIrO2,bimetallic_oxide,2,"Hf, Ir, O",-2.74,0.216,1.2,0.255,0.266,good,2,0.5,0.5,3,41.25,2.595,110.25,11.25,4.0,2.25,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,147.5,4.5,9,7,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,58.6,11.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfIrO3,HfIrO3,bimetallic_oxide,2,"Hf, Ir, O",-2.93,0.002,1.14,0.238,0.224,good,2,0.6,0.4,3,34.6,2.764,102.8,12.2,3.6000000000000005,1.8000000000000005,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,147.5,4.5,9,7,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.1,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfIrO4,HfIrO4,bimetallic_oxide,2,"Hf, Ir, O",-2.65,0.77,1.61,0.295,0.319,good,2,0.6666666666666666,0.3333333333333333,3,30.166666666666664,2.8766666666666665,97.83333333333331,12.833333333333332,3.333333333333333,1.4999999999999998,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,147.49999999999997,4.499999999999999,9,7,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.6,15.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfAu2O4,HfAu2O4,bimetallic_oxide,2,"Au, Hf, O",-3.12,0.003,1.63,0.276,0.194,excellent,3,0.5714285714285714,0.4285714285714286,3,37.42857142857142,2.877142857142857,105.57142857142856,12.857142857142856,3.714285714285714,3.1428571428571423,3.44,1.3,2.14,159,73,86,79,8,2.54,1.3,1.24,148.99999999999997,7.333333333333332,12,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,8.2,14.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Hf2AuO4,Hf2AuO4,bimetallic_oxide,2,"Au, Hf, O",-3.93,0.289,1.21,0.161,0.278,excellent,3,0.5714285714285714,0.4285714285714286,3,36.42857142857142,2.7,107.71428571428572,11.857142857142856,3.714285714285714,2.0,3.44,1.3,2.14,159,73,86,79,8,2.54,1.3,1.24,153.99999999999997,4.666666666666666,12,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.1,42.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfAuO2,HfAuO2,bimetallic_oxide,2,"Au, Hf, O",-3.47,0.335,1.07,0.392,0.15,excellent,3,0.5,0.5,3,41.75,2.68,112.25,11.75,4.0,3.0,3.44,1.3,2.14,159,73,86,79,8,2.54,1.3,1.24,151.5,6.0,12,10,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.9,51.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfAuO3,HfAuO3,bimetallic_oxide,2,"Au, Hf, O",-3.88,0.269,1.1,0.31,0.222,excellent,3,0.6,0.4,3,35.0,2.832,104.4,12.6,3.6000000000000005,2.4,3.44,1.3,2.14,159,73,86,79,8,2.54,1.3,1.24,151.5,6.0,12,10,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,5.0,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfAuO4,HfAuO4,bimetallic_oxide,2,"Au, Hf, O",-2.56,0.781,1.7,0.327,0.188,good,2,0.6666666666666666,0.3333333333333333,3,30.5,2.933333333333333,99.16666666666666,13.166666666666666,3.333333333333333,2.0,3.44,1.3,2.14,159,73,86,79,8,2.54,1.3,1.24,151.49999999999997,5.999999999999999,12,10,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,59.3,15.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfSn2O4,HfSn2O4,bimetallic_oxide,2,"Hf, O, Sn",-3.26,0.021,1.13,0.214,0.22,excellent,3,0.5714285714285714,0.4285714285714286,3,29.14285714285714,2.7114285714285717,105.85714285714285,13.714285714285714,3.4285714285714284,3.1428571428571423,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,149.66666666666663,7.333333333333332,12,10,0.0,0.2857142857142857,0.1428571428571428,0.2857142857142857,0,0,0.0,False,True,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,43.7,9.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Hf2SnO4,Hf2SnO4,bimetallic_oxide,2,"Hf, O, Sn",-3.36,0.069,0.87,0.183,0.229,excellent,3,0.5714285714285714,0.4285714285714286,3,32.285714285714285,2.617142857142857,107.85714285714285,12.285714285714285,3.571428571428571,2.0,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,154.33333333333331,4.666666666666666,12,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,21.6,19.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfSnO2,HfSnO2,bimetallic_oxide,2,"Hf, O, Sn",-3.2,0.122,1.56,0.427,0.318,excellent,3,0.5,0.5,3,34.5,2.535,112.5,12.5,3.75,3.0,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,152.0,6.0,12,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfSnO3,HfSnO3,bimetallic_oxide,2,"Hf, O, Sn",-2.25,0.034,1.36,0.425,0.318,good,2,0.6,0.4,3,29.2,2.716,104.6,13.2,3.4000000000000004,2.4,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,152.0,6.0,12,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,65.6,46.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfSnO4,HfSnO4,bimetallic_oxide,2,"Hf, O, Sn",-3.26,0.106,1.07,0.365,0.317,excellent,3,0.6666666666666666,0.3333333333333333,3,25.666666666666664,2.8366666666666664,99.33333333333331,13.666666666666666,3.1666666666666665,2.0,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,151.99999999999997,5.999999999999999,12,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,50.3,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfLa2O4,HfLa2O4,bimetallic_oxide,2,"Hf, La, O",-3.07,0.046,1.34,0.363,0.331,good,2,0.5714285714285714,0.4285714285714286,3,31.14285714285714,2.4657142857142853,117.85714285714285,10.571428571428571,3.714285714285714,0.5714285714285714,3.44,1.1,2.34,187,73,114,72,8,1.3,1.1,0.1999999999999999,177.66666666666663,1.3333333333333333,3,2,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,31.4,25.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Hf2LaO4,Hf2LaO4,bimetallic_oxide,2,"Hf, La, O",-3.06,0.034,1.2,0.388,0.353,good,2,0.5714285714285714,0.4285714285714286,3,33.285714285714285,2.494285714285714,113.85714285714285,10.714285714285714,3.714285714285714,0.7142857142857142,3.44,1.1,2.34,187,73,114,72,8,1.3,1.1,0.1999999999999999,168.33333333333331,1.6666666666666663,3,2,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,41.5,47.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfLaO2,HfLaO2,bimetallic_oxide,2,"Hf, La, O",-3.32,0.04,1.16,0.44,0.395,excellent,3,0.5,0.5,3,36.25,2.32,123.0,9.75,4.0,0.75,3.44,1.1,2.34,187,73,114,72,8,1.3,1.1,0.1999999999999999,173.0,1.5,3,2,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,55.9,57.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfLaO3,HfLaO3,bimetallic_oxide,2,"Hf, La, O",-2.55,0.019,1.23,0.315,0.291,good,2,0.6,0.4,3,30.6,2.544,113.0,11.0,3.6000000000000005,0.6000000000000001,3.44,1.1,2.34,187,73,114,72,8,1.3,1.1,0.1999999999999999,173.0,1.5,3,2,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,30.6,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_HfLaO4,HfLaO4,bimetallic_oxide,2,"Hf, La, O",-2.85,0.039,2.02,0.279,0.425,excellent,3,0.6666666666666666,0.3333333333333333,3,26.83333333333333,2.693333333333333,106.33333333333331,11.833333333333332,3.333333333333333,0.5,3.44,1.1,2.34,187,73,114,72,8,1.3,1.1,0.1999999999999999,172.99999999999997,1.4999999999999998,3,2,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,57.9,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaW2O4,TaW2O4,bimetallic_oxide,2,"O, Ta, W",-2.38,0.556,0.76,0.385,0.416,good,2,0.5714285714285714,0.4285714285714286,3,36.14285714285714,2.854285714285714,102.28571428571428,11.571428571428571,3.714285714285714,1.5714285714285714,3.44,1.5,1.94,146,73,73,74,8,2.36,1.5,0.8599999999999999,141.33333333333331,3.6666666666666665,7,4,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.0,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ta2WO4,Ta2WO4,bimetallic_oxide,2,"O, Ta, W",-3.78,0.1,0.51,0.371,0.262,excellent,3,0.5714285714285714,0.4285714285714286,3,36.0,2.7314285714285718,103.28571428571428,11.428571428571429,3.714285714285714,1.4285714285714284,3.44,1.5,1.94,146,73,73,74,8,2.36,1.5,0.8599999999999999,143.66666666666666,3.333333333333333,7,4,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,14.8,41.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaWO2,TaWO2,bimetallic_oxide,2,"O, Ta, W",-3.3,0.192,1.45,0.266,0.342,excellent,3,0.5,0.5,3,40.75,2.685,107.75,10.75,4.0,1.75,3.44,1.5,1.94,146,73,73,74,8,2.36,1.5,0.8599999999999999,142.5,3.5,7,4,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,60.2,16.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaWO3,TaWO3,bimetallic_oxide,2,"O, Ta, W",-3.16,0.375,1.12,0.287,0.406,good,2,0.6,0.4,3,34.2,2.8360000000000003,100.8,11.8,3.6000000000000005,1.4,3.44,1.5,1.94,146,73,73,74,8,2.36,1.5,0.8599999999999999,142.5,3.5,7,4,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.3,32.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaWO4,TaWO4,bimetallic_oxide,2,"O, Ta, W",-3.3,0.142,0.89,0.23,0.354,excellent,3,0.6666666666666666,0.3333333333333333,3,29.83333333333333,2.9366666666666665,96.16666666666666,12.5,3.333333333333333,1.1666666666666663,3.44,1.5,1.94,146,73,73,74,8,2.36,1.5,0.8599999999999999,142.49999999999997,3.5,7,4,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.6,23.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaOs2O4,TaOs2O4,bimetallic_oxide,2,"O, Os, Ta",-3.41,0.122,0.72,0.235,0.401,excellent,3,0.5714285714285714,0.4285714285714286,3,36.71428571428571,2.8085714285714283,101.14285714285714,12.142857142857142,3.714285714285714,2.142857142857143,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,138.66666666666666,4.999999999999999,9,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.7,21.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ta2OsO4,Ta2OsO4,bimetallic_oxide,2,"O, Os, Ta",-3.29,0.004,1.21,0.308,0.274,excellent,3,0.5714285714285714,0.4285714285714286,3,36.285714285714285,2.708571428571428,102.71428571428572,11.714285714285714,3.714285714285714,1.7142857142857142,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,142.33333333333331,4.0,9,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,15.1,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaOsO2,TaOsO2,bimetallic_oxide,2,"O, Os, Ta",-2.69,0.577,1.06,0.335,0.162,good,2,0.5,0.5,3,41.25,2.645,106.75,11.25,4.0,2.25,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,140.5,4.5,9,6,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.9,26.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaOsO3,TaOsO3,bimetallic_oxide,2,"O, Os, Ta",-2.09,0.029,0.66,0.511,0.359,good,2,0.6,0.4,3,34.6,2.8040000000000003,100.0,12.2,3.6000000000000005,1.8000000000000005,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,140.5,4.500000000000001,9,6,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.3,12.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaOsO4,TaOsO4,bimetallic_oxide,2,"O, Os, Ta",-2.85,0.309,1.43,0.372,0.305,good,2,0.6666666666666666,0.3333333333333333,3,30.166666666666664,2.91,95.5,12.833333333333332,3.333333333333333,1.5,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,140.49999999999997,4.499999999999999,9,6,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,63.8,27.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaPt2O4,TaPt2O4,bimetallic_oxide,2,"O, Pt, Ta",-3.21,0.019,1.02,0.26,0.217,good,2,0.5714285714285714,0.4285714285714286,3,37.285714285714285,2.831428571428571,102.28571428571428,12.714285714285714,3.714285714285714,3.0,3.44,1.5,1.94,146,73,73,78,8,2.28,1.5,0.7799999999999998,141.33333333333331,6.999999999999999,12,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.4,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ta2PtO4,Ta2PtO4,bimetallic_oxide,2,"O, Pt, Ta",-3.04,0.042,0.58,0.351,0.236,good,2,0.5714285714285714,0.4285714285714286,3,36.57142857142857,2.72,103.28571428571428,12.0,3.714285714285714,2.142857142857143,3.44,1.5,1.94,146,73,73,78,8,2.28,1.5,0.7799999999999998,143.66666666666666,4.999999999999999,12,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,85.1,61.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaPtO2,TaPtO2,bimetallic_oxide,2,"O, Pt, Ta",-3.85,0.092,0.45,0.372,0.318,excellent,3,0.5,0.5,3,41.75,2.665,107.75,11.75,4.0,3.0,3.44,1.5,1.94,146,73,73,78,8,2.28,1.5,0.7799999999999998,142.5,6.0,12,9,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,39.2,56.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaPtO3,TaPtO3,bimetallic_oxide,2,"O, Pt, Ta",-3.23,0.263,1.2,0.432,0.27,excellent,3,0.6,0.4,3,35.0,2.8200000000000003,100.8,12.6,3.6000000000000005,2.4000000000000004,3.44,1.5,1.94,146,73,73,78,8,2.28,1.5,0.7799999999999998,142.5,6.0,12,9,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,14.6,46.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaPtO4,TaPtO4,bimetallic_oxide,2,"O, Pt, Ta",-2.5,0.122,1.1,0.364,0.235,good,2,0.6666666666666666,0.3333333333333333,3,30.5,2.923333333333333,96.16666666666666,13.166666666666666,3.333333333333333,2.0,3.44,1.5,1.94,146,73,73,78,8,2.28,1.5,0.7799999999999998,142.49999999999997,5.999999999999999,12,9,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.0,40.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaAl2O4,TaAl2O4,bimetallic_oxide,2,"Al, O, Ta",-2.21,0.005,2.57,0.342,0.43,good,2,0.5714285714285714,0.4285714285714286,3,18.714285714285715,2.64,96.28571428571428,13.571428571428571,2.8571428571428568,0.4285714285714285,3.44,1.5,1.94,146,73,73,73,8,1.61,1.5,0.1100000000000001,127.33333333333331,1.0,3,3,0.2857142857142857,0.0,0.1428571428571428,0.2857142857142857,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.7,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ta2AlO4,Ta2AlO4,bimetallic_oxide,2,"Al, O, Ta",-2.75,0.08,1.56,0.266,0.387,good,2,0.5714285714285714,0.4285714285714286,3,27.285714285714285,2.624285714285714,100.28571428571428,12.428571428571429,3.2857142857142856,0.8571428571428571,3.44,1.5,1.94,146,73,73,73,8,1.61,1.5,0.1100000000000001,136.66666666666666,2.0,3,3,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.4,12.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaAlO2,TaAlO2,bimetallic_oxide,2,"Al, O, Ta",-2.89,0.103,1.08,0.393,0.381,good,2,0.5,0.5,3,25.5,2.4975,102.5,12.5,3.25,0.75,3.44,1.5,1.94,146,73,73,73,8,1.61,1.5,0.1100000000000001,132.0,1.5,3,3,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.4,52.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaAlO3,TaAlO3,bimetallic_oxide,2,"Al, O, Ta",-3.11,0.191,2.06,0.377,0.417,excellent,3,0.6,0.4,3,22.0,2.686,96.6,13.2,3.0,0.6000000000000001,3.44,1.5,1.94,146,73,73,73,8,1.61,1.5,0.1100000000000001,132.0,1.5000000000000002,3,3,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,62.1,62.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaAlO4,TaAlO4,bimetallic_oxide,2,"Al, O, Ta",-3.37,0.237,2.42,0.302,0.354,excellent,3,0.6666666666666666,0.3333333333333333,3,19.666666666666664,2.8116666666666665,92.66666666666666,13.666666666666666,2.833333333333333,0.5,3.44,1.5,1.94,146,73,73,73,8,1.61,1.5,0.1100000000000001,131.99999999999997,1.4999999999999998,3,3,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,51.9,16.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaBi2O4,TaBi2O4,bimetallic_oxide,2,"Bi, O, Ta",-3.07,0.432,1.41,0.228,0.204,excellent,3,0.5714285714285714,0.4285714285714286,3,38.71428571428571,2.7571428571428567,103.42857142857144,14.142857142857142,3.714285714285714,3.285714285714285,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,143.99999999999997,7.666666666666665,13,10,0.0,0.0,0.4285714285714285,0.2857142857142857,0,0,0.0,False,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,37.2,41.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ta2BiO4,Ta2BiO4,bimetallic_oxide,2,"Bi, O, Ta",-3.0,0.181,0.94,0.346,0.287,good,2,0.5714285714285714,0.4285714285714286,3,37.285714285714285,2.6828571428571424,103.85714285714286,12.714285714285714,3.714285714285714,2.2857142857142856,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,145.0,5.333333333333332,13,10,0.0,0.0,0.4285714285714285,0.1428571428571428,0,0,0.0,False,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.3,48.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaBiO2,TaBiO2,bimetallic_oxide,2,"Bi, O, Ta",-3.2,0.004,1.03,0.266,0.343,good,2,0.5,0.5,3,43.0,2.6,108.75,13.0,4.0,3.25,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,144.5,6.5,13,10,0.0,0.0,0.5,0.25,0,0,0.0,False,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,37.4,69.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaBiO3,TaBiO3,bimetallic_oxide,2,"Bi, O, Ta",-2.7,0.068,1.75,0.248,0.202,good,2,0.6,0.4,3,36.0,2.768,101.6,13.6,3.6000000000000005,2.6,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,144.5,6.5,13,10,0.0,0.0,0.4,0.2,0,0,0.0,False,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.0,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaBiO4,TaBiO4,bimetallic_oxide,2,"Bi, O, Ta",-3.17,0.113,1.31,0.273,0.313,excellent,3,0.6666666666666666,0.3333333333333333,3,31.33333333333333,2.88,96.83333333333331,14.0,3.333333333333333,2.1666666666666665,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,144.49999999999997,6.499999999999999,13,10,0.0,0.0,0.3333333333333333,0.1666666666666666,0,0,0.0,False,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.2,47.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaCe2O4,TaCe2O4,bimetallic_oxide,2,"Ce, O, Ta",-3.58,0.335,1.13,0.396,0.336,excellent,3,0.5714285714285714,0.4285714285714286,3,31.57142857142857,2.5,114.57142857142856,10.714285714285714,3.714285714285714,0.7142857142857142,3.44,1.12,2.32,182,73,109,73,8,1.5,1.12,0.3799999999999999,170.0,1.6666666666666663,4,3,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,39.1,37.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ta2CeO4,Ta2CeO4,bimetallic_oxide,2,"Ce, O, Ta",-2.71,0.02,1.16,0.28,0.439,good,2,0.5714285714285714,0.4285714285714286,3,33.714285714285715,2.5542857142857143,109.42857142857144,11.0,3.714285714285714,1.0,3.44,1.12,2.32,182,73,109,73,8,1.5,1.12,0.3799999999999999,158.0,2.333333333333333,4,3,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,29.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaCeO2,TaCeO2,bimetallic_oxide,2,"Ce, O, Ta",-2.32,0.028,1.4,0.356,0.339,good,2,0.5,0.5,3,36.75,2.375,118.5,10.0,4.0,1.0,3.44,1.12,2.32,182,73,109,73,8,1.5,1.12,0.3799999999999999,164.0,2.0,4,3,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,52.5,32.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaCeO3,TaCeO3,bimetallic_oxide,2,"Ce, O, Ta",-2.57,0.138,1.54,0.386,0.355,good,2,0.6,0.4,3,31.000000000000004,2.588,109.4,11.2,3.6000000000000005,0.8,3.44,1.12,2.32,182,73,109,73,8,1.5,1.12,0.3799999999999999,164.0,2.0,4,3,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,71.6,31.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TaCeO4,TaCeO4,bimetallic_oxide,2,"Ce, O, Ta",-2.75,0.113,1.49,0.3,0.368,good,2,0.6666666666666666,0.3333333333333333,3,27.166666666666664,2.7299999999999995,103.33333333333331,12.0,3.333333333333333,0.6666666666666666,3.44,1.12,2.32,182,73,109,73,8,1.5,1.12,0.3799999999999999,163.99999999999997,2.0,4,3,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,19.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WOs2O4,WOs2O4,bimetallic_oxide,2,"O, Os, W",-3.38,0.058,1.0,0.151,0.412,excellent,3,0.5714285714285714,0.4285714285714286,3,36.85714285714285,2.931428571428571,100.14285714285714,12.285714285714285,3.714285714285714,2.2857142857142856,3.44,2.2,1.2399999999999998,139,73,66,76,8,2.36,2.2,0.1599999999999997,136.33333333333331,5.333333333333333,10,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,44.2,25.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_W2OsO4,W2OsO4,bimetallic_oxide,2,"O, Os, W",-3.0,0.025,1.07,0.248,0.344,good,2,0.5714285714285714,0.4285714285714286,3,36.57142857142857,2.954285714285714,100.71428571428572,12.0,3.714285714285714,2.0,3.44,2.2,1.2399999999999998,139,73,66,76,8,2.36,2.2,0.1599999999999997,137.66666666666666,4.666666666666666,10,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,25.6,24.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WOsO2,WOsO2,bimetallic_oxide,2,"O, Os, W",-3.08,0.09,1.19,0.387,0.339,good,2,0.5,0.5,3,41.5,2.86,105.0,11.5,4.0,2.5,3.44,2.2,1.2399999999999998,139,73,66,76,8,2.36,2.2,0.1599999999999997,137.0,5.0,10,6,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.5,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WOsO3,WOsO3,bimetallic_oxide,2,"O, Os, W",-2.82,0.427,1.23,0.499,0.29,good,2,0.6,0.4,3,34.800000000000004,2.976,98.6,12.4,3.6000000000000005,2.0,3.44,2.2,1.2399999999999998,139,73,66,76,8,2.36,2.2,0.1599999999999997,137.0,5.0,10,6,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,30.3,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WOsO4,WOsO4,bimetallic_oxide,2,"O, Os, W",-3.26,0.309,0.87,0.376,0.278,good,2,0.6666666666666666,0.3333333333333333,3,30.33333333333333,3.053333333333333,94.33333333333331,13.0,3.333333333333333,1.6666666666666663,3.44,2.2,1.2399999999999998,139,73,66,76,8,2.36,2.2,0.1599999999999997,136.99999999999997,4.999999999999999,10,6,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,52.7,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WPt2O4,WPt2O4,bimetallic_oxide,2,"O, Pt, W",-2.92,0.232,0.54,0.273,0.212,good,2,0.5714285714285714,0.4285714285714286,3,37.42857142857143,2.954285714285714,101.28571428571428,12.857142857142856,3.714285714285714,3.1428571428571423,3.44,2.28,1.16,139,73,66,78,8,2.36,2.28,0.08,139.0,7.333333333333332,13,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,31.5,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_W2PtO4,W2PtO4,bimetallic_oxide,2,"O, Pt, W",-3.08,0.003,0.37,0.265,0.29,good,2,0.5714285714285714,0.4285714285714286,3,36.85714285714285,2.9657142857142853,101.28571428571428,12.285714285714285,3.714285714285714,2.4285714285714284,3.44,2.28,1.16,139,73,66,78,8,2.36,2.28,0.08,139.0,5.666666666666666,13,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,62.8,18.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WPtO2,WPtO2,bimetallic_oxide,2,"O, Pt, W",-3.05,0.059,0.93,0.272,0.339,good,2,0.5,0.5,3,42.0,2.88,106.0,12.0,4.0,3.25,3.44,2.28,1.16,139,73,66,78,8,2.36,2.28,0.08,139.0,6.5,13,9,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.0,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WPtO3,WPtO3,bimetallic_oxide,2,"O, Pt, W",-2.68,0.113,1.03,0.367,0.261,good,2,0.6,0.4,3,35.2,2.992,99.4,12.8,3.6000000000000005,2.6,3.44,2.28,1.16,139,73,66,78,8,2.36,2.28,0.08,139.0,6.5,13,9,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,58.6,21.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WPtO4,WPtO4,bimetallic_oxide,2,"O, Pt, W",-2.91,0.206,0.91,0.242,0.325,good,2,0.6666666666666666,0.3333333333333333,3,30.666666666666664,3.0666666666666664,95.0,13.333333333333332,3.333333333333333,2.1666666666666665,3.44,2.28,1.16,139,73,66,78,8,2.36,2.28,0.08,138.99999999999997,6.499999999999999,13,9,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,54.6,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WAl2O4,WAl2O4,bimetallic_oxide,2,"Al, O, W",-3.06,0.204,2.05,0.331,0.335,excellent,3,0.5714285714285714,0.4285714285714286,3,18.857142857142858,2.7628571428571425,95.28571428571428,13.714285714285714,2.8571428571428568,0.5714285714285714,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,125.0,1.3333333333333333,4,4,0.2857142857142857,0.0,0.1428571428571428,0.2857142857142857,0,0,0.0,True,False,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,39.4,44.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_W2AlO4,W2AlO4,bimetallic_oxide,2,"Al, O, W",-2.86,0.324,0.84,0.266,0.346,good,2,0.5714285714285714,0.4285714285714286,3,27.57142857142857,2.87,98.28571428571428,12.714285714285714,3.2857142857142856,1.1428571428571428,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,132.0,2.6666666666666665,4,4,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,31.6,21.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WAlO2,WAlO2,bimetallic_oxide,2,"Al, O, W",-3.03,0.599,1.54,0.393,0.478,excellent,3,0.5,0.5,3,25.75,2.7125,100.75,12.75,3.25,1.0,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,128.5,2.0,4,4,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,37.8,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WAlO3,WAlO3,bimetallic_oxide,2,"Al, O, W",-2.47,0.108,2.11,0.424,0.339,good,2,0.6,0.4,3,22.2,2.858,95.2,13.4,3.0,0.8,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,128.5,2.0,4,4,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.8,61.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WAlO4,WAlO4,bimetallic_oxide,2,"Al, O, W",-2.3,0.554,2.1,0.214,0.437,good,2,0.6666666666666666,0.3333333333333333,3,19.83333333333333,2.955,91.5,13.833333333333332,2.833333333333333,0.6666666666666666,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,128.49999999999997,2.0,4,4,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.5,25.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WBi2O4,WBi2O4,bimetallic_oxide,2,"Bi, O, W",-4.05,0.057,0.64,0.298,0.37,excellent,3,0.5714285714285714,0.4285714285714286,3,38.85714285714285,2.88,102.42857142857144,14.285714285714285,3.714285714285714,3.428571428571428,3.44,2.02,1.42,143,73,70,83,8,2.36,2.02,0.3399999999999998,141.66666666666663,7.999999999999998,14,10,0.0,0.0,0.4285714285714285,0.2857142857142857,0,0,0.0,False,False,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,13.0,32.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_W2BiO4,W2BiO4,bimetallic_oxide,2,"Bi, O, W",-3.25,0.119,1.23,0.459,0.301,excellent,3,0.5714285714285714,0.4285714285714286,3,37.57142857142857,2.9285714285714284,101.85714285714286,13.0,3.714285714285714,2.571428571428571,3.44,2.02,1.42,143,73,70,83,8,2.36,2.02,0.3399999999999998,140.33333333333331,5.999999999999999,14,10,0.0,0.0,0.4285714285714285,0.1428571428571428,0,0,0.0,False,False,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.2,51.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WBiO2,WBiO2,bimetallic_oxide,2,"Bi, O, W",-3.59,0.154,1.34,0.219,0.257,excellent,3,0.5,0.5,3,43.25,2.815,107.0,13.25,4.0,3.5,3.44,2.02,1.42,143,73,70,83,8,2.36,2.02,0.3399999999999998,141.0,7.0,14,10,0.0,0.0,0.5,0.25,0,0,0.0,False,False,True,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,43.3,30.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WBiO3,WBiO3,bimetallic_oxide,2,"Bi, O, W",-2.59,0.069,0.64,0.276,0.238,good,2,0.6,0.4,3,36.2,2.94,100.2,13.8,3.6000000000000005,2.8,3.44,2.02,1.42,143,73,70,83,8,2.36,2.02,0.3399999999999998,141.0,7.0,14,10,0.0,0.0,0.4,0.2,0,0,0.0,False,False,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,13.5,26.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WBiO4,WBiO4,bimetallic_oxide,2,"Bi, O, W",-3.97,0.051,1.03,0.249,0.192,excellent,3,0.6666666666666666,0.3333333333333333,3,31.5,3.023333333333333,95.66666666666666,14.166666666666666,3.333333333333333,2.333333333333333,3.44,2.02,1.42,143,73,70,83,8,2.36,2.02,0.3399999999999998,140.99999999999997,6.999999999999999,14,10,0.0,0.0,0.3333333333333333,0.1666666666666666,0,0,0.0,False,False,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,55.8,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WCe2O4,WCe2O4,bimetallic_oxide,2,"Ce, O, W",-3.1,0.032,1.56,0.437,0.494,excellent,3,0.5714285714285714,0.4285714285714286,3,31.71428571428571,2.6228571428571428,113.57142857142856,10.857142857142856,3.714285714285714,0.8571428571428571,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,167.66666666666666,2.0,5,4,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,False,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,29.0,52.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_W2CeO4,W2CeO4,bimetallic_oxide,2,"Ce, O, W",-2.02,0.273,0.75,0.29,0.306,good,2,0.5714285714285714,0.4285714285714286,3,34.0,2.8,107.42857142857144,11.285714285714285,3.714285714285714,1.2857142857142856,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,153.33333333333331,3.0,5,4,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,59.6,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WCeO2,WCeO2,bimetallic_oxide,2,"Ce, O, W",-2.44,0.023,1.22,0.416,0.346,good,2,0.5,0.5,3,37.0,2.59,116.75,10.25,4.0,1.25,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,160.5,2.5,5,4,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,False,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,30.3,17.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WCeO3,WCeO3,bimetallic_oxide,2,"Ce, O, W",-2.89,0.026,1.19,0.369,0.337,good,2,0.6,0.4,3,31.200000000000003,2.76,108.0,11.4,3.6000000000000005,1.0,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,160.5,2.5,5,4,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,25.1,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_WCeO4,WCeO4,bimetallic_oxide,2,"Ce, O, W",-2.46,0.117,1.4,0.317,0.371,good,2,0.6666666666666666,0.3333333333333333,3,27.33333333333333,2.873333333333333,102.16666666666666,12.166666666666666,3.333333333333333,0.8333333333333333,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,160.49999999999997,2.5,5,4,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,40.4,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReIr2O4,ReIr2O4,bimetallic_oxide,2,"Ir, O, Re",-3.35,0.113,1.03,0.121,0.321,excellent,3,0.5714285714285714,0.4285714285714286,3,37.285714285714285,2.8657142857142857,100.14285714285714,12.714285714285714,3.714285714285714,2.7142857142857144,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,136.33333333333331,6.333333333333332,12,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.3,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Re2IrO4,Re2IrO4,bimetallic_oxide,2,"Ir, O, Re",-2.51,0.024,1.18,0.213,0.245,good,2,0.5714285714285714,0.4285714285714286,3,37.0,2.8228571428571425,100.28571428571428,12.428571428571429,3.714285714285714,2.4285714285714284,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,136.66666666666663,5.666666666666666,12,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,24.0,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReIrO2,ReIrO2,bimetallic_oxide,2,"Ir, O, Re",-3.57,0.501,0.82,0.279,0.499,excellent,3,0.5,0.5,3,42.0,2.745,104.75,12.0,4.0,3.0,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,136.5,6.0,12,7,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.0,9.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReIrO3,ReIrO3,bimetallic_oxide,2,"Ir, O, Re",-2.92,0.229,0.83,0.381,0.168,good,2,0.6,0.4,3,35.2,2.8840000000000003,98.4,12.8,3.6000000000000005,2.4000000000000004,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,136.5,6.0,12,7,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReIrO4,ReIrO4,bimetallic_oxide,2,"Ir, O, Re",-2.32,0.218,0.54,0.316,0.369,good,2,0.6666666666666666,0.3333333333333333,3,30.666666666666664,2.9766666666666666,94.16666666666666,13.333333333333332,3.333333333333333,2.0,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,136.49999999999997,5.999999999999998,12,7,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.2,18.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReAu2O4,ReAu2O4,bimetallic_oxide,2,"Au, O, Re",-3.1,0.093,1.12,0.252,0.183,good,2,0.5714285714285714,0.4285714285714286,3,37.85714285714285,2.962857142857142,102.42857142857142,13.285714285714285,3.714285714285714,3.571428571428571,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,141.66666666666663,8.333333333333332,15,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.5,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Re2AuO4,Re2AuO4,bimetallic_oxide,2,"Au, O, Re",-2.79,0.164,0.68,0.365,0.381,good,2,0.5714285714285714,0.4285714285714286,3,37.285714285714285,2.871428571428571,101.42857142857142,12.714285714285714,3.714285714285714,2.8571428571428568,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,139.33333333333331,6.666666666666665,15,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,33.8,28.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReAuO2,ReAuO2,bimetallic_oxide,2,"Au, O, Re",-3.75,0.309,0.9,0.315,0.307,excellent,3,0.5,0.5,3,42.5,2.83,106.75,12.5,4.0,3.75,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,140.5,7.5,15,10,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,22.3,49.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReAuO3,ReAuO3,bimetallic_oxide,2,"Au, O, Re",-2.37,0.176,1.22,0.369,0.222,good,2,0.6,0.4,3,35.6,2.952,100.0,13.2,3.6000000000000005,3.0,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,140.5,7.5,15,10,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,63.9,50.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReAuO4,ReAuO4,bimetallic_oxide,2,"Au, O, Re",-3.09,0.162,0.78,0.208,0.212,good,2,0.6666666666666666,0.3333333333333333,3,31.0,3.033333333333333,95.5,13.666666666666666,3.333333333333333,2.5,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,140.49999999999997,7.499999999999998,15,10,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,31.1,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReSn2O4,ReSn2O4,bimetallic_oxide,2,"O, Re, Sn",-2.7,0.054,0.67,0.392,0.218,good,2,0.5714285714285714,0.4285714285714286,3,29.57142857142857,2.7971428571428567,102.71428571428572,14.142857142857142,3.4285714285714284,3.571428571428571,3.44,1.9,1.54,145,73,72,75,8,1.96,1.9,0.06,142.33333333333331,8.333333333333332,15,10,0.0,0.2857142857142857,0.1428571428571428,0.2857142857142857,0,0,0.0,False,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,24.9,51.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Re2SnO4,Re2SnO4,bimetallic_oxide,2,"O, Re, Sn",-3.39,0.005,1.05,0.391,0.314,excellent,3,0.5714285714285714,0.4285714285714286,3,33.14285714285714,2.7885714285714283,101.57142857142856,13.142857142857142,3.571428571428571,2.8571428571428568,3.44,1.9,1.54,145,73,72,75,8,1.96,1.9,0.06,139.66666666666663,6.666666666666665,15,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,45.8,17.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReSnO2,ReSnO2,bimetallic_oxide,2,"O, Re, Sn",-2.65,0.044,0.65,0.316,0.324,good,2,0.5,0.5,3,35.25,2.685,107.0,13.25,3.75,3.75,3.44,1.9,1.54,145,73,72,75,8,1.96,1.9,0.06,141.0,7.5,15,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,21.8,31.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReSnO3,ReSnO3,bimetallic_oxide,2,"O, Re, Sn",-3.28,0.143,0.97,0.243,0.233,excellent,3,0.6,0.4,3,29.8,2.8360000000000003,100.2,13.8,3.4000000000000004,3.0,3.44,1.9,1.54,145,73,72,75,8,1.96,1.9,0.06,141.0,7.5,15,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.2,12.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReSnO4,ReSnO4,bimetallic_oxide,2,"O, Re, Sn",-3.25,0.046,0.45,0.211,0.195,good,2,0.6666666666666666,0.3333333333333333,3,26.166666666666664,2.9366666666666665,95.66666666666666,14.166666666666666,3.1666666666666665,2.5,3.44,1.9,1.54,145,73,72,75,8,1.96,1.9,0.06,140.99999999999997,7.499999999999998,15,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.4,38.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReLa2O4,ReLa2O4,bimetallic_oxide,2,"La, O, Re",-3.27,0.042,0.88,0.315,0.407,good,2,0.5714285714285714,0.4285714285714286,3,31.57142857142857,2.551428571428571,114.71428571428572,11.0,3.714285714285714,1.0,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,170.33333333333331,2.333333333333333,6,5,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,False,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,42.0,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Re2LaO4,Re2LaO4,bimetallic_oxide,2,"La, O, Re",-3.23,0.01,0.91,0.282,0.301,good,2,0.5714285714285714,0.4285714285714286,3,34.14285714285714,2.665714285714285,107.57142857142856,11.571428571428571,3.714285714285714,1.5714285714285712,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,153.66666666666663,3.666666666666666,6,5,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,False,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,22.9,28.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReLaO2,ReLaO2,bimetallic_oxide,2,"La, O, Re",-2.68,0.072,1.59,0.249,0.332,good,2,0.5,0.5,3,37.0,2.47,117.5,10.5,4.0,1.5,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,162.0,3.0,6,5,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,34.6,40.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReLaO3,ReLaO3,bimetallic_oxide,2,"La, O, Re",-3.17,0.248,1.38,0.273,0.37,excellent,3,0.6,0.4,3,31.2,2.664,108.6,11.6,3.6000000000000005,1.2,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,162.0,3.0,6,5,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,54.1,54.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_ReLaO4,ReLaO4,bimetallic_oxide,2,"La, O, Re",-2.15,0.024,1.03,0.235,0.341,good,2,0.6666666666666666,0.3333333333333333,3,27.33333333333333,2.793333333333333,102.66666666666666,12.333333333333332,3.333333333333333,1.0,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,161.99999999999997,3.0,6,5,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,47.9,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsIr2O4,OsIr2O4,bimetallic_oxide,2,"Ir, O, Os",-2.32,0.264,0.82,0.293,0.247,good,2,0.5714285714285714,0.4285714285714286,3,37.42857142857143,2.9085714285714284,99.85714285714286,12.857142857142856,3.714285714285714,2.857142857142857,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.66666666666666,6.666666666666666,13,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,36.6,25.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Os2IrO4,Os2IrO4,bimetallic_oxide,2,"Ir, O, Os",-3.05,0.188,0.5,0.336,0.352,good,2,0.5714285714285714,0.4285714285714286,3,37.285714285714285,2.9085714285714284,99.71428571428572,12.714285714285714,3.714285714285714,2.7142857142857144,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.33333333333331,6.333333333333332,13,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,57.1,52.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsIrO2,OsIrO2,bimetallic_oxide,2,"Ir, O, Os",-3.3,0.006,1.13,0.408,0.204,excellent,3,0.5,0.5,3,42.25,2.8200000000000003,104.25,12.25,4.0,3.25,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.5,6.5,13,7,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.4,43.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsIrO3,OsIrO3,bimetallic_oxide,2,"Ir, O, Os",-2.6,0.087,0.4,0.387,0.29,good,2,0.6,0.4,3,35.4,2.944,98.0,13.0,3.6000000000000005,2.6000000000000005,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.5,6.5,13,7,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.6,15.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsIrO4,OsIrO4,bimetallic_oxide,2,"Ir, O, Os",-2.37,0.071,0.64,0.361,0.259,good,2,0.6666666666666666,0.3333333333333333,3,30.83333333333333,3.0266666666666664,93.83333333333331,13.5,3.333333333333333,2.1666666666666665,3.44,2.2,1.2399999999999998,136,73,63,77,8,2.2,2.2,0.0,135.49999999999997,6.499999999999998,13,7,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.6,48.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsAu2O4,OsAu2O4,bimetallic_oxide,2,"Au, O, Os",-3.82,0.094,0.54,0.262,0.225,excellent,3,0.5714285714285714,0.4285714285714286,3,38.0,3.0057142857142853,102.14285714285714,13.428571428571429,3.714285714285714,3.714285714285714,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,140.99999999999997,8.666666666666664,16,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,41.9,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Os2AuO4,Os2AuO4,bimetallic_oxide,2,"Au, O, Os",-2.8,0.165,1.05,0.23,0.359,good,2,0.5714285714285714,0.4285714285714286,3,37.57142857142857,2.957142857142857,100.85714285714286,13.0,3.714285714285714,3.1428571428571423,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,137.99999999999997,7.333333333333332,16,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.3,47.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsAuO2,OsAuO2,bimetallic_oxide,2,"Au, O, Os",-3.11,0.023,0.81,0.073,0.25,good,2,0.5,0.5,3,42.75,2.905,106.25,12.75,4.0,4.0,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,139.5,8.0,16,10,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,27.9,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsAuO3,OsAuO3,bimetallic_oxide,2,"Au, O, Os",-2.75,0.073,1.06,0.348,0.269,good,2,0.6,0.4,3,35.800000000000004,3.012,99.6,13.4,3.6000000000000005,3.2,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,139.5,8.0,16,10,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.9,33.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsAuO4,OsAuO4,bimetallic_oxide,2,"Au, O, Os",-2.89,0.093,1.41,0.374,0.251,good,2,0.6666666666666666,0.3333333333333333,3,31.166666666666664,3.083333333333333,95.16666666666666,13.833333333333332,3.333333333333333,2.6666666666666665,3.44,2.2,1.2399999999999998,144,73,71,79,8,2.54,2.2,0.3399999999999998,139.49999999999997,7.999999999999998,16,10,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.7,22.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsSn2O4,OsSn2O4,bimetallic_oxide,2,"O, Os, Sn",-2.31,0.011,0.52,0.339,0.315,good,2,0.5714285714285714,0.4285714285714286,3,29.71428571428571,2.84,102.42857142857142,14.285714285714285,3.4285714285714284,3.714285714285714,3.44,1.96,1.48,145,73,72,76,8,2.2,1.96,0.2400000000000002,141.66666666666663,8.666666666666664,16,10,0.0,0.2857142857142857,0.1428571428571428,0.2857142857142857,0,0,0.0,False,True,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,69.3,47.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Os2SnO4,Os2SnO4,bimetallic_oxide,2,"O, Os, Sn",-2.67,0.151,1.48,0.37,0.255,good,2,0.5714285714285714,0.4285714285714286,3,33.42857142857142,2.874285714285714,101.0,13.428571428571429,3.571428571428571,3.1428571428571423,3.44,1.96,1.48,145,73,72,76,8,2.2,1.96,0.2400000000000002,138.33333333333331,7.333333333333332,16,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.4,57.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsSnO2,OsSnO2,bimetallic_oxide,2,"O, Os, Sn",-3.18,0.116,0.46,0.235,0.219,good,2,0.5,0.5,3,35.5,2.76,106.5,13.5,3.75,4.0,3.44,1.96,1.48,145,73,72,76,8,2.2,1.96,0.2400000000000002,140.0,8.0,16,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,51.2,47.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsSnO3,OsSnO3,bimetallic_oxide,2,"O, Os, Sn",-3.17,0.331,0.98,0.109,0.273,good,2,0.6,0.4,3,30.0,2.896,99.8,14.0,3.4000000000000004,3.2,3.44,1.96,1.48,145,73,72,76,8,2.2,1.96,0.2400000000000002,140.0,8.0,16,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,5.0,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsSnO4,OsSnO4,bimetallic_oxide,2,"O, Os, Sn",-3.69,0.015,1.16,0.394,0.23,excellent,3,0.6666666666666666,0.3333333333333333,3,26.33333333333333,2.9866666666666664,95.33333333333331,14.333333333333332,3.1666666666666665,2.6666666666666665,3.44,1.96,1.48,145,73,72,76,8,2.2,1.96,0.2400000000000002,139.99999999999997,7.999999999999998,16,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,24.7,10.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsLa2O4,OsLa2O4,bimetallic_oxide,2,"La, O, Os",-2.72,0.008,0.6,0.48,0.369,good,2,0.5714285714285714,0.4285714285714286,3,31.71428571428571,2.5942857142857143,114.42857142857142,11.142857142857142,3.714285714285714,1.1428571428571428,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,169.66666666666663,2.6666666666666665,7,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,55.5,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Os2LaO4,Os2LaO4,bimetallic_oxide,2,"La, O, Os",-2.5,0.01,1.68,0.412,0.356,good,2,0.5714285714285714,0.4285714285714286,3,34.42857142857142,2.751428571428572,107.0,11.857142857142856,3.714285714285714,1.857142857142857,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,152.33333333333331,4.333333333333333,7,6,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,10.4,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsLaO2,OsLaO2,bimetallic_oxide,2,"La, O, Os",-2.93,0.049,1.46,0.269,0.381,good,2,0.5,0.5,3,37.25,2.545,117.0,10.75,4.0,1.75,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,161.0,3.5,7,6,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,53.6,38.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsLaO3,OsLaO3,bimetallic_oxide,2,"La, O, Os",-2.8,0.068,0.43,0.37,0.461,good,2,0.6,0.4,3,31.4,2.724,108.2,11.8,3.6000000000000005,1.4,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,161.0,3.5000000000000004,7,6,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,False,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,45.3,52.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_OsLaO4,OsLaO4,bimetallic_oxide,2,"La, O, Os",-2.55,0.147,1.17,0.347,0.297,good,2,0.6666666666666666,0.3333333333333333,3,27.5,2.843333333333333,102.33333333333331,12.5,3.333333333333333,1.1666666666666667,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,160.99999999999997,3.5,7,6,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,False,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,24.6,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrPt2O4,IrPt2O4,bimetallic_oxide,2,"Ir, O, Pt",-3.32,0.069,0.47,0.378,0.199,good,2,0.5714285714285714,0.4285714285714286,3,37.85714285714285,2.931428571428571,100.85714285714286,13.285714285714285,3.714285714285714,3.571428571428571,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,138.0,8.333333333333332,16,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,60.7,17.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ir2PtO4,Ir2PtO4,bimetallic_oxide,2,"Ir, O, Pt",-2.48,0.054,1.01,0.347,0.297,good,2,0.5714285714285714,0.4285714285714286,3,37.71428571428572,2.92,100.42857142857144,13.142857142857142,3.714285714285714,3.2857142857142856,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,137.0,7.666666666666666,16,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.3,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrPtO2,IrPtO2,bimetallic_oxide,2,"Ir, O, Pt",-3.13,0.058,0.93,0.185,0.344,good,2,0.5,0.5,3,42.75,2.84,105.25,12.75,4.0,4.0,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,137.5,8.0,16,9,0.0,0.0,0.5,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,20.7,50.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrPtO3,IrPtO3,bimetallic_oxide,2,"Ir, O, Pt",-3.08,0.158,0.78,0.211,0.167,good,2,0.6,0.4,3,35.800000000000004,2.96,98.8,13.4,3.6000000000000005,3.2,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,137.5,8.0,16,9,0.0,0.0,0.4,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.5,33.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrPtO4,IrPtO4,bimetallic_oxide,2,"Ir, O, Pt",-2.96,0.098,1.03,0.321,0.392,good,2,0.6666666666666666,0.3333333333333333,3,31.166666666666664,3.04,94.5,13.833333333333332,3.333333333333333,2.6666666666666665,3.44,2.2,1.2399999999999998,139,73,66,78,8,2.28,2.2,0.0799999999999996,137.49999999999997,7.999999999999998,16,9,0.0,0.0,0.3333333333333333,0.0,0,0,0.0,False,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.8,46.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrAl2O4,IrAl2O4,bimetallic_oxide,2,"Al, Ir, O",-2.77,0.031,1.72,0.328,0.353,good,2,0.5714285714285714,0.4285714285714286,3,19.285714285714285,2.74,94.85714285714286,14.142857142857142,2.8571428571428568,1.0,3.44,1.61,1.83,136,73,63,77,8,2.2,1.61,0.5900000000000001,124.0,2.333333333333333,7,7,0.2857142857142857,0.0,0.1428571428571428,0.2857142857142857,0,0,0.0,True,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.9,47.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ir2AlO4,Ir2AlO4,bimetallic_oxide,2,"Al, Ir, O",-3.11,0.235,0.63,0.373,0.334,good,2,0.5714285714285714,0.4285714285714286,3,28.428571428571427,2.8242857142857143,97.42857142857144,13.571428571428571,3.2857142857142856,2.0,3.44,1.61,1.83,136,73,63,77,8,2.2,1.61,0.5900000000000001,130.0,4.666666666666666,7,7,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,42.5,36.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrAlO2,IrAlO2,bimetallic_oxide,2,"Al, Ir, O",-3.18,0.272,1.06,0.27,0.366,good,2,0.5,0.5,3,26.5,2.6725,100.0,13.5,3.25,1.75,3.44,1.61,1.83,136,73,63,77,8,2.2,1.61,0.5900000000000001,127.0,3.5,7,7,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,64.2,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrAlO3,IrAlO3,bimetallic_oxide,2,"Al, Ir, O",-3.4,0.178,1.08,0.246,0.352,excellent,3,0.6,0.4,3,22.8,2.826,94.6,14.0,3.0,1.4,3.44,1.61,1.83,136,73,63,77,8,2.2,1.61,0.5900000000000001,127.0,3.5,7,7,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,21.6,54.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrAlO4,IrAlO4,bimetallic_oxide,2,"Al, Ir, O",-2.82,0.414,1.54,0.403,0.305,good,2,0.6666666666666666,0.3333333333333333,3,20.33333333333333,2.928333333333333,91.0,14.333333333333332,2.833333333333333,1.1666666666666663,3.44,1.61,1.83,136,73,63,77,8,2.2,1.61,0.5900000000000001,126.99999999999996,3.499999999999999,7,7,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,34.0,50.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrBi2O4,IrBi2O4,bimetallic_oxide,2,"Bi, Ir, O",-3.3,0.095,0.91,0.277,0.261,good,2,0.5714285714285714,0.4285714285714286,3,39.285714285714285,2.8571428571428568,102.0,14.714285714285714,3.714285714285714,3.8571428571428568,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,140.66666666666663,8.999999999999998,17,10,0.0,0.0,0.4285714285714285,0.2857142857142857,0,0,0.0,False,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.5,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ir2BiO4,Ir2BiO4,bimetallic_oxide,2,"Bi, Ir, O",-3.8,0.034,1.02,0.288,0.215,excellent,3,0.5714285714285714,0.4285714285714286,3,38.42857142857143,2.8828571428571426,101.0,13.857142857142856,3.714285714285714,3.4285714285714284,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,138.33333333333331,7.999999999999998,17,10,0.0,0.0,0.4285714285714285,0.1428571428571428,0,0,0.0,False,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,66.4,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrBiO2,IrBiO2,bimetallic_oxide,2,"Bi, Ir, O",-3.39,0.069,1.11,0.381,0.233,excellent,3,0.5,0.5,3,44.0,2.775,106.25,14.0,4.0,4.25,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.5,8.5,17,10,0.0,0.0,0.5,0.25,0,0,0.0,False,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,7.0,42.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrBiO3,IrBiO3,bimetallic_oxide,2,"Bi, Ir, O",-3.0,0.71,1.14,0.243,0.197,good,2,0.6,0.4,3,36.8,2.9080000000000004,99.6,14.4,3.6000000000000005,3.4000000000000004,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.5,8.5,17,10,0.0,0.0,0.4,0.2,0,0,0.0,False,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,31.3,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrBiO4,IrBiO4,bimetallic_oxide,2,"Bi, Ir, O",-3.3,0.121,1.22,0.365,0.285,excellent,3,0.6666666666666666,0.3333333333333333,3,32.0,2.996666666666666,95.16666666666666,14.666666666666666,3.333333333333333,2.833333333333333,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.49999999999997,8.499999999999998,17,10,0.0,0.0,0.3333333333333333,0.1666666666666666,0,0,0.0,False,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,35.2,32.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrCe2O4,IrCe2O4,bimetallic_oxide,2,"Ce, Ir, O",-2.4,0.06,1.07,0.474,0.406,good,2,0.5714285714285714,0.4285714285714286,3,32.14285714285714,2.6,113.14285714285714,11.285714285714285,3.714285714285714,1.2857142857142856,3.44,1.12,2.32,182,73,109,77,8,2.2,1.12,1.08,166.66666666666666,3.0,8,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,13.1,23.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Ir2CeO4,Ir2CeO4,bimetallic_oxide,2,"Ce, Ir, O",-3.12,0.139,1.28,0.393,0.301,excellent,3,0.5714285714285714,0.4285714285714286,3,34.857142857142854,2.754285714285714,106.57142857142856,12.142857142857142,3.714285714285714,2.142857142857143,3.44,1.12,2.32,182,73,109,77,8,2.2,1.12,1.08,151.33333333333331,4.999999999999999,8,7,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,True,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,39.8,18.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrCeO2,IrCeO2,bimetallic_oxide,2,"Ce, Ir, O",-2.81,0.31,1.11,0.214,0.4,good,2,0.5,0.5,3,37.75,2.55,116.0,11.0,4.0,2.0,3.44,1.12,2.32,182,73,109,77,8,2.2,1.12,1.08,159.0,4.0,8,7,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,36.5,58.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrCeO3,IrCeO3,bimetallic_oxide,2,"Ce, Ir, O",-3.03,0.617,1.42,0.214,0.406,good,2,0.6,0.4,3,31.8,2.728,107.4,12.0,3.6000000000000005,1.6,3.44,1.12,2.32,182,73,109,77,8,2.2,1.12,1.08,159.0,4.0,8,7,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,27.8,11.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_IrCeO4,IrCeO4,bimetallic_oxide,2,"Ce, Ir, O",-3.24,0.262,1.05,0.215,0.255,excellent,3,0.6666666666666666,0.3333333333333333,3,27.83333333333333,2.8466666666666662,101.66666666666666,12.666666666666666,3.333333333333333,1.3333333333333333,3.44,1.12,2.32,182,73,109,77,8,2.2,1.12,1.08,158.99999999999997,3.999999999999999,8,7,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,58.2,50.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtAl2O4,PtAl2O4,bimetallic_oxide,2,"Al, O, Pt",-2.61,0.278,1.18,0.172,0.351,good,2,0.5714285714285714,0.4285714285714286,3,19.428571428571427,2.751428571428572,95.28571428571428,14.285714285714285,2.8571428571428568,1.2857142857142856,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,125.0,3.0,9,9,0.2857142857142857,0.0,0.1428571428571428,0.2857142857142857,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.7,38.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pt2AlO4,Pt2AlO4,bimetallic_oxide,2,"Al, O, Pt",-3.55,0.147,0.88,0.269,0.206,excellent,3,0.5714285714285714,0.4285714285714286,3,28.71428571428571,2.847142857142857,98.28571428571428,13.857142857142856,3.2857142857142856,2.571428571428571,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,132.0,5.999999999999999,9,9,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,47.9,25.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtAlO2,PtAlO2,bimetallic_oxide,2,"Al, O, Pt",-2.72,0.082,0.56,0.4,0.242,good,2,0.5,0.5,3,26.75,2.6925,100.75,13.75,3.25,2.25,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,128.5,4.5,9,9,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,66.0,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtAlO3,PtAlO3,bimetallic_oxide,2,"Al, O, Pt",-2.74,0.072,0.88,0.404,0.226,good,2,0.6,0.4,3,23.0,2.842,95.2,14.2,3.0,1.8,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,128.5,4.5,9,9,0.2,0.0,0.2,0.2,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,28.1,24.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtAlO4,PtAlO4,bimetallic_oxide,2,"Al, O, Pt",-2.01,0.087,1.21,0.31,0.372,good,2,0.6666666666666666,0.3333333333333333,3,20.5,2.9416666666666664,91.5,14.5,2.833333333333333,1.5,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,128.49999999999997,4.499999999999999,9,9,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.1,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtBi2O4,PtBi2O4,bimetallic_oxide,2,"Bi, O, Pt",-2.85,0.127,1.19,0.178,0.163,good,2,0.5714285714285714,0.4285714285714286,3,39.42857142857142,2.8685714285714283,102.42857142857144,14.857142857142856,3.714285714285714,4.142857142857142,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,141.66666666666663,9.666666666666664,19,10,0.0,0.0,0.4285714285714285,0.2857142857142857,0,0,0.0,False,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,48.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pt2BiO4,Pt2BiO4,bimetallic_oxide,2,"Bi, O, Pt",-2.92,0.083,0.85,0.278,0.261,good,2,0.5714285714285714,0.4285714285714286,3,38.71428571428571,2.905714285714285,101.85714285714286,14.142857142857142,3.714285714285714,4.0,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,140.33333333333331,9.333333333333332,19,10,0.0,0.0,0.4285714285714285,0.1428571428571428,0,0,0.0,False,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.1,49.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtBiO2,PtBiO2,bimetallic_oxide,2,"Bi, O, Pt",-3.46,0.009,0.75,0.281,0.297,excellent,3,0.5,0.5,3,44.25,2.795,107.0,14.25,4.0,4.75,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,141.0,9.5,19,10,0.0,0.0,0.5,0.25,0,0,0.0,False,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,22.0,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtBiO3,PtBiO3,bimetallic_oxide,2,"Bi, O, Pt",-3.07,0.019,0.97,0.28,0.296,good,2,0.6,0.4,3,37.0,2.924,100.2,14.6,3.6000000000000005,3.8,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,141.0,9.5,19,10,0.0,0.0,0.4,0.2,0,0,0.0,False,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,40.9,29.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtBiO4,PtBiO4,bimetallic_oxide,2,"Bi, O, Pt",-2.47,0.428,0.92,0.234,0.343,good,2,0.6666666666666666,0.3333333333333333,3,32.166666666666664,3.01,95.66666666666666,14.833333333333332,3.333333333333333,3.1666666666666665,3.44,2.02,1.42,143,73,70,83,8,2.28,2.02,0.2599999999999998,140.99999999999997,9.499999999999998,19,10,0.0,0.0,0.3333333333333333,0.1666666666666666,0,0,0.0,False,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.3,42.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtCe2O4,PtCe2O4,bimetallic_oxide,2,"Ce, O, Pt",-2.12,0.084,1.28,0.251,0.306,good,2,0.5714285714285714,0.4285714285714286,3,32.285714285714285,2.611428571428571,113.57142857142856,11.428571428571429,3.714285714285714,1.5714285714285712,3.44,1.12,2.32,182,73,109,78,8,2.28,1.12,1.1599999999999997,167.66666666666666,3.666666666666666,10,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,5.0,20.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Pt2CeO4,Pt2CeO4,bimetallic_oxide,2,"Ce, O, Pt",-2.6,0.134,1.43,0.275,0.348,good,2,0.5714285714285714,0.4285714285714286,3,35.14285714285714,2.7771428571428567,107.42857142857144,12.428571428571429,3.714285714285714,2.714285714285714,3.44,1.12,2.32,182,73,109,78,8,2.28,1.12,1.1599999999999997,153.33333333333331,6.333333333333332,10,9,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,44.3,13.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtCeO2,PtCeO2,bimetallic_oxide,2,"Ce, O, Pt",-3.02,0.19,1.41,0.257,0.319,good,2,0.5,0.5,3,38.0,2.57,116.75,11.25,4.0,2.5,3.44,1.12,2.32,182,73,109,78,8,2.28,1.12,1.1599999999999997,160.5,5.0,10,9,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,45.3,39.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtCeO3,PtCeO3,bimetallic_oxide,2,"Ce, O, Pt",-2.31,0.109,1.19,0.352,0.267,good,2,0.6,0.4,3,32.0,2.744,108.0,12.2,3.6000000000000005,2.0,3.44,1.12,2.32,182,73,109,78,8,2.28,1.12,1.1599999999999997,160.5,5.0,10,9,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,29.9,25.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_PtCeO4,PtCeO4,bimetallic_oxide,2,"Ce, O, Pt",-2.63,0.015,0.68,0.357,0.29,good,2,0.6666666666666666,0.3333333333333333,3,28.0,2.8599999999999994,102.16666666666666,12.833333333333332,3.333333333333333,1.6666666666666667,3.44,1.12,2.32,182,73,109,78,8,2.28,1.12,1.1599999999999997,160.49999999999997,4.999999999999999,10,9,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,70.1,9.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuSn2O4,AuSn2O4,bimetallic_oxide,2,"Au, O, Sn",-3.03,0.0,0.67,0.282,0.173,good,2,0.5714285714285714,0.4285714285714286,3,30.14285714285714,2.8885714285714283,103.71428571428572,14.714285714285714,3.4285714285714284,4.285714285714285,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,144.66666666666663,9.999999999999998,20,10,0.0,0.2857142857142857,0.1428571428571428,0.2857142857142857,0,0,0.0,False,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.5,39.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Au2SnO4,Au2SnO4,bimetallic_oxide,2,"Au, O, Sn",-2.98,0.085,0.72,0.221,0.246,good,2,0.5714285714285714,0.4285714285714286,3,34.285714285714285,2.971428571428571,103.57142857142856,14.285714285714285,3.571428571428571,4.285714285714285,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,144.33333333333331,9.999999999999998,20,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.4,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuSnO2,AuSnO2,bimetallic_oxide,2,"Au, O, Sn",-3.48,0.214,1.32,0.325,0.231,excellent,3,0.5,0.5,3,36.25,2.845,108.75,14.25,3.75,5.0,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,144.5,10.0,20,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,45.8,53.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuSnO3,AuSnO3,bimetallic_oxide,2,"Au, O, Sn",-2.78,0.008,1.11,0.155,0.307,good,2,0.6,0.4,3,30.6,2.964,101.6,14.6,3.4000000000000004,4.0,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,144.5,10.0,20,10,0.0,0.2,0.2,0.2,0,0,0.0,False,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.6,56.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuSnO4,AuSnO4,bimetallic_oxide,2,"Au, O, Sn",-2.88,0.133,0.79,0.396,0.156,good,2,0.6666666666666666,0.3333333333333333,3,26.83333333333333,3.043333333333333,96.83333333333331,14.833333333333332,3.1666666666666665,3.333333333333333,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,144.49999999999997,9.999999999999998,20,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.0,False,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,41.4,28.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuLa2O4,AuLa2O4,bimetallic_oxide,2,"Au, La, O",-2.2,0.009,1.47,0.331,0.407,good,2,0.5714285714285714,0.4285714285714286,3,32.14285714285714,2.642857142857143,115.71428571428572,11.571428571428571,3.714285714285714,1.714285714285714,3.44,1.1,2.34,187,73,114,79,8,2.54,1.1,1.44,172.66666666666663,3.999999999999999,11,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.2857142857142857,False,False,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,44.3,15.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Au2LaO4,Au2LaO4,bimetallic_oxide,2,"Au, La, O",-2.56,0.027,0.96,0.369,0.314,good,2,0.5714285714285714,0.4285714285714286,3,35.285714285714285,2.8485714285714283,109.57142857142856,12.714285714285714,3.714285714285714,3.0,3.44,1.1,2.34,187,73,114,79,8,2.54,1.1,1.44,158.33333333333331,6.999999999999998,11,10,0.0,0.0,0.4285714285714285,0.0,0,0,0.1428571428571428,False,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,54.5,14.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuLaO2,AuLaO2,bimetallic_oxide,2,"Au, La, O",-3.12,0.0,1.25,0.194,0.221,excellent,3,0.5,0.5,3,38.0,2.63,119.25,11.5,4.0,2.75,3.44,1.1,2.34,187,73,114,79,8,2.54,1.1,1.44,165.5,5.5,11,10,0.0,0.0,0.5,0.0,0,0,0.25,False,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,39.5,43.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuLaO3,AuLaO3,bimetallic_oxide,2,"Au, La, O",-2.58,0.093,1.05,0.264,0.237,good,2,0.6,0.4,3,32.0,2.7920000000000003,110.0,12.4,3.6000000000000005,2.2,3.44,1.1,2.34,187,73,114,79,8,2.54,1.1,1.44,165.5,5.5,11,10,0.0,0.0,0.4,0.0,0,0,0.2,False,False,True,True,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,29.7,16.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AuLaO4,AuLaO4,bimetallic_oxide,2,"Au, La, O",-3.27,0.041,0.94,0.347,0.349,good,2,0.6666666666666666,0.3333333333333333,3,28.0,2.8999999999999995,103.83333333333331,13.0,3.333333333333333,1.8333333333333333,3.44,1.1,2.34,187,73,114,79,8,2.54,1.1,1.44,165.49999999999997,5.499999999999999,11,10,0.0,0.0,0.3333333333333333,0.0,0,0,0.1666666666666666,False,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,48.3,11.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlSn2O4,AlSn2O4,bimetallic_oxide,2,"Al, O, Sn",-2.6,0.0,0.71,0.243,0.225,good,2,0.5714285714285714,0.4285714285714286,3,20.71428571428571,2.7557142857142853,100.0,15.0,3.0,2.8571428571428568,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,135.99999999999997,6.666666666666665,10,10,0.1428571428571428,0.2857142857142857,0.0,0.4285714285714285,0,0,0.0,True,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.2,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Al2SnO4,Al2SnO4,bimetallic_oxide,2,"Al, O, Sn",-2.75,0.182,2.78,0.422,0.254,excellent,3,0.5714285714285714,0.4285714285714286,3,15.428571428571429,2.705714285714285,96.14285714285714,14.857142857142856,2.714285714285714,1.4285714285714284,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,126.99999999999996,3.3333333333333326,10,10,0.2857142857142857,0.1428571428571428,0.0,0.4285714285714285,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.4,58.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlSnO2,AlSnO2,bimetallic_oxide,2,"Al, O, Sn",-2.74,0.184,1.16,0.273,0.323,good,2,0.5,0.5,3,19.75,2.6125,102.25,14.75,3.0,2.5,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,131.5,5.0,10,10,0.25,0.25,0.0,0.5,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.1,66.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlSnO3,AlSnO3,bimetallic_oxide,2,"Al, O, Sn",-2.32,0.176,1.81,0.35,0.34,good,2,0.6,0.4,3,17.4,2.778,96.4,15.0,2.8,2.0,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,131.5,5.0,10,10,0.2,0.2,0.0,0.4,0,0,0.0,True,True,False,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,32.9,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlSnO4,AlSnO4,bimetallic_oxide,2,"Al, O, Sn",-2.86,0.019,1.16,0.38,0.283,good,2,0.6666666666666666,0.3333333333333333,3,15.833333333333332,2.8883333333333328,92.5,15.166666666666666,2.6666666666666665,1.6666666666666663,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,131.49999999999997,4.999999999999999,10,10,0.1666666666666666,0.1666666666666666,0.0,0.3333333333333333,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,48.0,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlLa2O4,AlLa2O4,bimetallic_oxide,2,"Al, La, O",-2.33,0.121,1.94,0.27,0.431,good,2,0.5714285714285714,0.4285714285714286,3,22.71428571428571,2.51,112.0,11.857142857142856,3.2857142857142856,0.2857142857142857,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,163.99999999999997,0.6666666666666666,1,1,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.2857142857142857,True,False,True,False,False,True,False,False,True,Triclinic,0,0,0,0,0,0,1,26.4,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Al2LaO4,Al2LaO4,bimetallic_oxide,2,"Al, La, O",-2.28,0.123,2.72,0.395,0.315,good,2,0.5714285714285714,0.4285714285714286,3,16.428571428571427,2.5828571428571427,102.14285714285714,13.285714285714285,2.8571428571428568,0.1428571428571428,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,140.99999999999997,0.3333333333333333,1,1,0.2857142857142857,0.0,0.1428571428571428,0.2857142857142857,0,0,0.1428571428571428,True,False,True,False,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,35.0,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlLaO2,AlLaO2,bimetallic_oxide,2,"Al, La, O",-2.45,0.008,2.6,0.394,0.517,excellent,3,0.5,0.5,3,21.5,2.3975,112.75,12.0,3.25,0.25,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,152.5,0.5,1,1,0.25,0.0,0.25,0.25,0,0,0.25,True,False,True,False,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,60.2,24.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlLaO3,AlLaO3,bimetallic_oxide,2,"Al, La, O",-2.21,0.018,2.76,0.351,0.382,good,2,0.6,0.4,3,18.8,2.6060000000000003,104.8,12.8,3.0,0.2,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,152.5,0.5,1,1,0.2,0.0,0.2,0.2,0,0,0.2,True,False,True,False,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,19.9,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_AlLaO4,AlLaO4,bimetallic_oxide,2,"Al, La, O",-2.41,0.213,2.75,0.348,0.378,excellent,3,0.6666666666666666,0.3333333333333333,3,17.0,2.745,99.5,13.333333333333332,2.833333333333333,0.1666666666666666,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,152.49999999999997,0.4999999999999999,1,1,0.1666666666666666,0.0,0.1666666666666666,0.1666666666666666,0,0,0.1666666666666666,True,False,True,False,False,True,False,False,True,Rhombohedral,0,0,0,0,0,1,0,32.5,36.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnBi2O4,SnBi2O4,bimetallic_oxide,2,"Bi, O, Sn",-3.57,0.095,1.11,0.34,0.191,excellent,3,0.5714285714285714,0.4285714285714286,3,35.42857142857142,2.8228571428571425,103.28571428571428,15.428571428571429,3.571428571428571,4.285714285714285,3.44,1.96,1.48,145,73,72,83,8,2.02,1.96,0.06,143.66666666666663,9.999999999999998,20,10,0.0,0.1428571428571428,0.2857142857142857,0.4285714285714285,0,0,0.0,False,True,True,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,54.3,16.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Sn2BiO4,Sn2BiO4,bimetallic_oxide,2,"Bi, O, Sn",-2.93,0.116,0.92,0.362,0.182,good,2,0.5714285714285714,0.4285714285714286,3,30.71428571428571,2.814285714285714,103.57142857142856,15.285714285714285,3.4285714285714284,4.285714285714285,3.44,1.96,1.48,145,73,72,83,8,2.02,1.96,0.06,144.33333333333331,9.999999999999998,20,10,0.0,0.2857142857142857,0.1428571428571428,0.4285714285714285,0,0,0.0,False,True,True,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.3,48.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnBiO2,SnBiO2,bimetallic_oxide,2,"Bi, O, Sn",-3.18,0.104,1.2,0.337,0.212,excellent,3,0.5,0.5,3,37.25,2.715,108.5,15.25,3.75,5.0,3.44,1.96,1.48,145,73,72,83,8,2.02,1.96,0.06,144.0,10.0,20,10,0.0,0.25,0.25,0.5,0,0,0.0,False,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,27.2,34.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnBiO3,SnBiO3,bimetallic_oxide,2,"Bi, O, Sn",-3.12,0.266,1.77,0.371,0.229,excellent,3,0.6,0.4,3,31.4,2.8600000000000003,101.4,15.4,3.4000000000000004,4.0,3.44,1.96,1.48,145,73,72,83,8,2.02,1.96,0.06,144.0,10.0,20,10,0.0,0.2,0.2,0.4,0,0,0.0,False,True,True,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,27.1,39.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnBiO4,SnBiO4,bimetallic_oxide,2,"Bi, O, Sn",-2.81,0.788,0.97,0.173,0.315,good,2,0.6666666666666666,0.3333333333333333,3,27.5,2.956666666666666,96.66666666666666,15.5,3.1666666666666665,3.333333333333333,3.44,1.96,1.48,145,73,72,83,8,2.02,1.96,0.06,143.99999999999997,9.999999999999998,20,10,0.0,0.1666666666666666,0.1666666666666666,0.3333333333333333,0,0,0.0,False,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,67.1,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnCe2O4,SnCe2O4,bimetallic_oxide,2,"Ce, O, Sn",-2.8,0.665,0.8,0.434,0.333,good,2,0.5714285714285714,0.4285714285714286,3,28.285714285714285,2.5657142857142854,114.42857142857144,12.0,3.571428571428571,1.714285714285714,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,169.66666666666666,3.999999999999999,11,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.2857142857142857,False,True,True,False,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,52.2,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Sn2CeO4,Sn2CeO4,bimetallic_oxide,2,"Ce, O, Sn",-3.02,0.087,1.68,0.366,0.339,excellent,3,0.5714285714285714,0.4285714285714286,3,27.14285714285714,2.685714285714285,109.14285714285714,13.571428571428571,3.4285714285714284,3.0,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,157.33333333333331,6.999999999999998,11,10,0.0,0.2857142857142857,0.1428571428571428,0.2857142857142857,0,0,0.1428571428571428,False,True,True,False,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,52.1,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnCeO2,SnCeO2,bimetallic_oxide,2,"Ce, O, Sn",-2.84,0.117,0.97,0.43,0.205,good,2,0.5,0.5,3,31.0,2.49,118.25,12.25,3.75,2.75,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,163.5,5.5,11,10,0.0,0.25,0.25,0.25,0,0,0.25,False,True,True,False,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,54.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnCeO3,SnCeO3,bimetallic_oxide,2,"Ce, O, Sn",-2.26,0.067,0.96,0.219,0.334,good,2,0.6,0.4,3,26.4,2.68,109.2,13.0,3.4000000000000004,2.2,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,163.5,5.5,11,10,0.0,0.2,0.2,0.2,0,0,0.2,False,True,True,False,False,True,False,False,True,Orthorhombic,0,0,0,1,0,0,0,19.7,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_SnCeO4,SnCeO4,bimetallic_oxide,2,"Ce, O, Sn",-2.88,0.226,1.31,0.276,0.329,good,2,0.6666666666666666,0.3333333333333333,3,23.33333333333333,2.806666666666666,103.16666666666666,13.5,3.1666666666666665,1.8333333333333333,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,163.49999999999997,5.499999999999999,11,10,0.0,0.1666666666666666,0.1666666666666666,0.1666666666666666,0,0,0.1666666666666666,False,True,True,False,False,True,False,False,True,Triclinic,0,0,0,0,0,0,1,27.4,38.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_BiCe2O4,BiCe2O4,bimetallic_oxide,2,"Bi, Ce, O",-2.83,0.121,1.46,0.277,0.345,good,2,0.5714285714285714,0.4285714285714286,3,33.0,2.574285714285714,114.14285714285714,12.142857142857142,3.714285714285714,1.714285714285714,3.44,1.12,2.32,182,73,109,83,8,2.02,1.12,0.8999999999999999,169.0,3.999999999999999,11,10,0.0,0.0,0.4285714285714285,0.1428571428571428,0,0,0.2857142857142857,False,False,True,False,False,True,False,False,True,Monoclinic,0,0,0,0,1,0,0,43.8,32.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_Bi2CeO4,Bi2CeO4,bimetallic_oxide,2,"Bi, Ce, O",-3.15,0.112,0.72,0.334,0.261,good,2,0.5714285714285714,0.4285714285714286,3,36.57142857142857,2.7028571428571424,108.57142857142856,13.857142857142856,3.714285714285714,3.0,3.44,1.12,2.32,182,73,109,83,8,2.02,1.12,0.8999999999999999,155.99999999999997,6.999999999999998,11,10,0.0,0.0,0.4285714285714285,0.2857142857142857,0,0,0.1428571428571428,False,False,True,False,False,True,False,False,True,Monoclinic,0,0,0,0,1,0,0,20.7,33.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_BiCeO2,BiCeO2,bimetallic_oxide,2,"Bi, Ce, O",-2.69,0.09,1.31,0.289,0.254,good,2,0.5,0.5,3,39.25,2.505,117.75,12.5,4.0,2.75,3.44,1.12,2.32,182,73,109,83,8,2.02,1.12,0.8999999999999999,162.5,5.5,11,10,0.0,0.0,0.5,0.25,0,0,0.25,False,False,True,False,False,True,False,False,True,Tetragonal,0,1,0,0,0,0,0,33.5,27.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_BiCeO3,BiCeO3,bimetallic_oxide,2,"Bi, Ce, O",-3.61,0.102,1.23,0.256,0.222,excellent,3,0.6,0.4,3,33.0,2.692,108.8,13.2,3.6000000000000005,2.2,3.44,1.12,2.32,182,73,109,83,8,2.02,1.12,0.8999999999999999,162.5,5.5,11,10,0.0,0.0,0.4,0.2,0,0,0.2,False,False,True,False,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,38.8,7.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_BiCeO4,BiCeO4,bimetallic_oxide,2,"Bi, Ce, O",-2.71,0.122,1.33,0.236,0.237,good,2,0.6666666666666666,0.3333333333333333,3,28.83333333333333,2.8166666666666664,102.83333333333331,13.666666666666666,3.333333333333333,1.8333333333333333,3.44,1.12,2.32,182,73,109,83,8,2.02,1.12,0.8999999999999999,162.49999999999997,5.499999999999999,11,10,0.0,0.0,0.3333333333333333,0.1666666666666666,0,0,0.1666666666666666,False,False,True,False,False,True,False,False,True,Orthorhombic,0,0,0,1,0,0,0,44.9,50.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Jain et al., APL Materials 2013 (Materials Project)",DFT (PBE); spinel and mixed oxide structures
oxide_TiVCrO4,TiVCrO4,trimetallic_oxide,3,"Cr, O, Ti, V",-2.33,0.082,2.52,0.301,0.262,good,2,0.5714285714285714,0.4285714285714286,4,14.428571428571429,2.6557142857142857,100.14285714285714,11.285714285714285,2.8571428571428568,1.4285714285714284,3.44,1.54,1.9,147,73,74,24,8,1.66,1.54,0.1199999999999998,136.33333333333331,3.333333333333333,10,5,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,5.0,27.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiVCr2O4,TiVCr2O4,trimetallic_oxide,3,"Cr, O, Ti, V",-2.25,0.007,1.71,0.239,0.237,good,2,0.5,0.5,4,15.625,2.53125,103.625,10.625,3.0,1.875,3.44,1.54,1.9,147,73,74,24,8,1.66,1.54,0.1199999999999998,134.25,3.75,10,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.8,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2VCrO4,Ti2VCrO4,trimetallic_oxide,3,"Cr, O, Ti, V",-3.06,0.206,1.16,0.291,0.414,good,2,0.5,0.5,4,15.375,2.51625,106.0,10.375,3.0,1.5,3.44,1.54,1.9,147,73,74,24,8,1.66,1.54,0.1199999999999998,139.0,3.0,10,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,60.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiVRuO4,TiVRuO4,trimetallic_oxide,3,"O, Ru, Ti, V",-2.08,0.042,1.91,0.322,0.415,good,2,0.5714285714285714,0.4285714285714286,4,17.285714285714285,2.7328571428571427,101.0,11.571428571428571,3.0,1.7142857142857142,3.44,1.54,1.9,147,73,74,44,8,2.2,1.54,0.6600000000000001,138.33333333333331,4.0,12,7,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,36.4,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiVRu2O4,TiVRu2O4,trimetallic_oxide,3,"O, Ru, Ti, V",-3.53,0.147,0.94,0.333,0.39,excellent,3,0.5,0.5,4,20.625,2.66625,105.125,11.125,3.25,2.375,3.44,1.54,1.9,147,73,74,44,8,2.2,1.54,0.6600000000000001,137.25,4.75,12,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.5,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2VRuO4,Ti2VRuO4,trimetallic_oxide,3,"O, Ru, Ti, V",-3.38,0.035,1.56,0.426,0.388,excellent,3,0.5,0.5,4,17.875,2.58375,106.75,10.625,3.125,1.75,3.44,1.54,1.9,147,73,74,44,8,2.2,1.54,0.6600000000000001,140.5,3.5,12,7,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.9,66.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiVPtO4,TiVPtO4,trimetallic_oxide,3,"O, Pt, Ti, V",-2.49,0.031,1.63,0.32,0.297,good,2,0.5714285714285714,0.4285714285714286,4,22.142857142857142,2.744285714285714,101.71428571428572,11.857142857142856,3.142857142857143,2.0,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,140.0,4.666666666666666,14,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,15.9,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiVPt2O4,TiVPt2O4,trimetallic_oxide,3,"O, Pt, Ti, V",-3.03,0.139,1.4,0.213,0.325,good,2,0.5,0.5,4,29.125,2.68625,106.375,11.625,3.5,2.875,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,139.75,5.75,14,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.8,27.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2VPtO4,Ti2VPtO4,trimetallic_oxide,3,"O, Pt, Ti, V",-2.93,0.011,1.53,0.371,0.361,good,2,0.5,0.5,4,22.125,2.59375,107.375,10.875,3.25,2.0,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,141.75,4.0,14,9,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,26.3,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCrNiO4,TiCrNiO4,trimetallic_oxide,3,"Cr, Ni, O, Ti",-2.3,0.073,1.68,0.31,0.286,good,2,0.5714285714285714,0.4285714285714286,4,15.142857142857142,2.6957142857142857,98.71428571428572,12.0,2.8571428571428568,2.142857142857143,3.44,1.54,1.9,147,73,74,28,8,1.91,1.54,0.3699999999999999,132.99999999999997,4.999999999999999,15,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,19.8,31.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCrNi2O4,TiCrNi2O4,trimetallic_oxide,3,"Cr, Ni, O, Ti",-2.66,0.302,1.0,0.192,0.283,good,2,0.5,0.5,4,16.75,2.5975,101.875,11.75,3.0,2.875,3.44,1.54,1.9,147,73,74,28,8,1.91,1.54,0.3699999999999999,130.75,5.75,15,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,49.0,43.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CrNiO4,Ti2CrNiO4,trimetallic_oxide,3,"Cr, Ni, O, Ti",-2.14,0.071,1.87,0.263,0.33,good,2,0.5,0.5,4,16.0,2.55125,104.75,11.0,3.0,2.125,3.44,1.54,1.9,147,73,74,28,8,1.91,1.54,0.3699999999999999,136.5,4.25,15,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,8.3,10.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCrHfO4,TiCrHfO4,trimetallic_oxide,3,"Cr, Hf, O, Ti",-2.9,0.031,1.93,0.237,0.297,excellent,3,0.5714285714285714,0.4285714285714286,4,21.428571428571427,2.6085714285714285,103.71428571428572,11.142857142857142,3.142857142857143,1.2857142857142856,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,144.66666666666666,3.0,9,5,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,34.1,25.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCrHf2O4,TiCrHf2O4,trimetallic_oxide,3,"Cr, Hf, O, Ti",-2.87,0.022,1.08,0.272,0.255,good,2,0.5,0.5,4,27.75,2.445,110.625,10.25,3.5,1.375,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,148.25,2.75,9,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,33.2,13.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CrHfO4,Ti2CrHfO4,trimetallic_oxide,3,"Cr, Hf, O, Ti",-2.77,0.328,1.62,0.406,0.45,good,2,0.5,0.5,4,21.5,2.475,109.125,10.25,3.25,1.375,3.44,1.3,2.14,159,73,86,72,8,1.66,1.3,0.3599999999999999,145.25,2.75,9,5,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.5,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCrBiO4,TiCrBiO4,trimetallic_oxide,3,"Bi, Cr, O, Ti",-2.38,0.156,1.29,0.416,0.231,good,2,0.5714285714285714,0.4285714285714286,4,23.0,2.7114285714285717,101.42857142857144,12.714285714285714,3.142857142857143,2.4285714285714284,3.44,1.54,1.9,147,73,74,83,8,2.02,1.54,0.48,139.33333333333331,5.666666666666665,17,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,55.6,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCrBi2O4,TiCrBi2O4,trimetallic_oxide,3,"Bi, Cr, O, Ti",-3.19,0.066,1.12,0.306,0.351,excellent,3,0.5,0.5,4,30.5,2.625,106.625,13.0,3.5,3.375,3.44,1.54,1.9,147,73,74,83,8,2.02,1.54,0.48,140.25,6.75,17,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,29.0,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CrBiO4,Ti2CrBiO4,trimetallic_oxide,3,"Bi, Cr, O, Ti",-2.36,0.178,0.7,0.445,0.303,good,2,0.5,0.5,4,22.875,2.565,107.125,11.625,3.25,2.375,3.44,1.54,1.9,147,73,74,83,8,2.02,1.54,0.48,141.25,4.75,17,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,20.3,42.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMnMoO4,TiMnMoO4,trimetallic_oxide,3,"Mn, Mo, O, Ti",-2.48,0.065,1.69,0.405,0.352,good,2,0.5714285714285714,0.4285714285714286,4,17.285714285714285,2.7157142857142853,100.71428571428572,11.571428571428571,3.0,1.714285714285714,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,137.66666666666666,3.999999999999999,12,5,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.3,39.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMnMo2O4,TiMnMo2O4,trimetallic_oxide,3,"Mn, Mo, O, Ti",-2.6,0.317,1.41,0.398,0.29,good,2,0.5,0.5,4,20.375,2.64625,105.5,10.875,3.25,2.125,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,138.0,4.25,12,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,57.7,8.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2MnMoO4,Ti2MnMoO4,trimetallic_oxide,3,"Mn, Mo, O, Ti",-2.68,0.1,1.75,0.305,0.429,good,2,0.5,0.5,4,17.875,2.56875,106.5,10.625,3.125,1.75,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,140.0,3.5,12,5,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,62.3,37.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMnIrO4,TiMnIrO4,trimetallic_oxide,3,"Ir, Mn, O, Ti",-2.33,0.088,1.08,0.44,0.317,good,2,0.5714285714285714,0.4285714285714286,4,22.285714285714285,2.721428571428571,100.28571428571428,12.0,3.142857142857143,2.0,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,136.66666666666666,4.666666666666666,14,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.4,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMnIr2O4,TiMnIr2O4,trimetallic_oxide,3,"Ir, Mn, O, Ti",-3.35,0.014,0.77,0.389,0.232,good,2,0.5,0.5,4,29.125,2.65625,104.75,11.625,3.5,2.625,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,136.5,5.25,14,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.4,35.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2MnIrO4,Ti2MnIrO4,trimetallic_oxide,3,"Ir, Mn, O, Ti",-2.79,0.115,1.34,0.456,0.391,good,2,0.5,0.5,4,22.25,2.57375,106.125,11.0,3.25,2.0,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,139.25,4.0,14,7,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,35.2,44.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiFeCuO4,TiFeCuO4,trimetallic_oxide,3,"Cu, Fe, O, Ti",-3.59,0.197,1.22,0.406,0.306,excellent,3,0.5714285714285714,0.4285714285714286,4,15.57142857142857,2.7185714285714284,99.0,12.428571428571429,2.8571428571428568,2.571428571428571,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,133.66666666666666,5.999999999999999,18,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,55.1,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiFeCu2O4,TiFeCu2O4,trimetallic_oxide,3,"Cu, Fe, O, Ti",-2.73,0.152,1.09,0.282,0.292,good,2,0.5,0.5,4,17.25,2.61625,102.625,12.25,3.0,3.5,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,132.25,7.0,18,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,56.1,44.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2FeCuO4,Ti2FeCuO4,trimetallic_oxide,3,"Cu, Fe, O, Ti",-2.74,0.09,1.63,0.328,0.333,good,2,0.5,0.5,4,16.375,2.57125,105.0,11.375,3.0,2.5,3.44,1.54,1.9,147,73,74,29,8,1.9,1.54,0.3599999999999999,137.0,5.0,18,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,30.6,63.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiFeTaO4,TiFeTaO4,trimetallic_oxide,3,"Fe, O, Ta, Ti",-2.91,0.102,0.44,0.352,0.377,good,2,0.5714285714285714,0.4285714285714286,4,21.857142857142858,2.661428571428571,101.57142857142856,11.571428571428571,3.142857142857143,1.5714285714285714,3.44,1.5,1.94,147,73,74,73,8,1.83,1.5,0.33,139.66666666666666,3.666666666666666,11,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.6,18.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiFeTa2O4,TiFeTa2O4,trimetallic_oxide,3,"Fe, O, Ta, Ti",-3.34,0.198,1.3,0.314,0.317,excellent,3,0.5,0.5,4,28.25,2.51625,107.125,10.75,3.5,1.75,3.44,1.5,1.94,147,73,74,73,8,1.83,1.5,0.33,141.25,3.5,11,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,74.1,44.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2FeTaO4,Ti2FeTaO4,trimetallic_oxide,3,"Fe, O, Ta, Ti",-2.8,0.174,1.8,0.261,0.352,good,2,0.5,0.5,4,21.875,2.52125,107.25,10.625,3.25,1.625,3.44,1.5,1.94,147,73,74,73,8,1.83,1.5,0.33,141.5,3.25,11,6,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.7,46.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiFeLaO4,TiFeLaO4,trimetallic_oxide,3,"Fe, La, O, Ti",-2.05,0.065,1.85,0.387,0.274,good,2,0.5714285714285714,0.4285714285714286,4,19.57142857142857,2.604285714285714,107.42857142857144,11.285714285714285,3.142857142857143,1.2857142857142856,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,153.33333333333331,3.0,9,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,54.7,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiFeLa2O4,TiFeLa2O4,trimetallic_oxide,3,"Fe, La, O, Ti",-2.46,0.047,1.82,0.216,0.301,good,2,0.5,0.5,4,24.25,2.41625,117.375,10.25,3.5,1.25,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,161.75,2.5,9,6,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,30.6,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2FeLaO4,Ti2FeLaO4,trimetallic_oxide,3,"Fe, La, O, Ti",-2.48,0.095,1.7,0.428,0.211,good,2,0.5,0.5,4,19.875,2.47125,112.375,10.375,3.25,1.375,3.44,1.1,2.34,187,73,114,57,8,1.83,1.1,0.73,151.75,2.75,9,6,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,28.4,20.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCoPdO4,TiCoPdO4,trimetallic_oxide,3,"Co, O, Pd, Ti",-2.37,0.13,1.22,0.386,0.328,good,2,0.5714285714285714,0.4285714285714286,4,18.142857142857142,2.768571428571428,100.14285714285714,12.428571428571429,3.0,2.714285714285714,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,136.33333333333331,6.333333333333332,19,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,49.6,19.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCoPd2O4,TiCoPd2O4,trimetallic_oxide,3,"Co, O, Pd, Ti",-2.44,0.116,1.3,0.237,0.346,good,2,0.5,0.5,4,21.625,2.6975,104.75,12.125,3.25,3.625,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,136.5,7.25,19,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.8,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CoPdO4,Ti2CoPdO4,trimetallic_oxide,3,"Co, O, Pd, Ti",-3.54,0.042,0.53,0.196,0.296,excellent,3,0.5,0.5,4,18.625,2.615,106.0,11.375,3.125,2.625,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,139.0,5.25,19,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.3,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCoAlO4,TiCoAlO4,trimetallic_oxide,3,"Al, Co, O, Ti",-2.04,0.02,2.74,0.368,0.256,good,2,0.5714285714285714,0.4285714285714286,4,13.428571428571429,2.684285714285714,97.42857142857144,12.857142857142856,2.714285714285714,1.2857142857142856,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,130.0,3.0,9,7,0.4285714285714285,0.0,0.0,0.1428571428571428,0,0,0.0,True,False,False,True,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.2,13.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCoAl2O4,TiCoAl2O4,trimetallic_oxide,3,"Al, Co, O, Ti",-2.78,0.186,2.71,0.433,0.414,excellent,3,0.5,0.5,4,13.375,2.55,100.0,12.875,2.75,1.125,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,127.0,2.25,9,7,0.5,0.0,0.0,0.25,0,0,0.0,True,False,False,True,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.4,43.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CoAlO4,Ti2CoAlO4,trimetallic_oxide,3,"Al, Co, O, Ti",-3.03,0.011,2.33,0.546,0.354,excellent,3,0.5,0.5,4,14.5,2.54125,103.625,11.75,2.875,1.375,3.44,1.54,1.9,147,73,74,27,8,1.88,1.54,0.3399999999999998,134.25,2.75,9,7,0.5,0.0,0.0,0.125,0,0,0.0,True,False,False,True,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,34.7,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNiRuO4,TiNiRuO4,trimetallic_oxide,3,"Ni, O, Ru, Ti",-2.53,0.03,0.35,0.327,0.306,good,2,0.5714285714285714,0.4285714285714286,4,18.0,2.7728571428571427,99.57142857142856,12.285714285714285,3.0,2.4285714285714284,3.44,1.54,1.9,147,73,74,44,8,2.2,1.54,0.6600000000000001,134.99999999999997,5.666666666666666,17,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.2,26.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNiRu2O4,TiNiRu2O4,trimetallic_oxide,3,"Ni, O, Ru, Ti",-3.16,0.133,1.1,0.405,0.3,good,2,0.5,0.5,4,21.25,2.70125,103.875,11.75,3.25,3.0,3.44,1.54,1.9,147,73,74,44,8,2.2,1.54,0.6600000000000001,134.75,6.0,17,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,30.6,21.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2NiRuO4,Ti2NiRuO4,trimetallic_oxide,3,"Ni, O, Ru, Ti",-2.19,0.106,1.89,0.364,0.362,good,2,0.5,0.5,4,18.5,2.61875,105.5,11.25,3.125,2.375,3.44,1.54,1.9,147,73,74,44,8,2.2,1.54,0.6600000000000001,138.0,4.75,17,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.0,14.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNiPtO4,TiNiPtO4,trimetallic_oxide,3,"Ni, O, Pt, Ti",-2.83,0.001,1.87,0.408,0.248,excellent,3,0.5714285714285714,0.4285714285714286,4,22.857142857142858,2.7842857142857143,100.28571428571428,12.571428571428571,3.142857142857143,2.714285714285714,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,136.66666666666663,6.333333333333333,19,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,39.8,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNiPt2O4,TiNiPt2O4,trimetallic_oxide,3,"Ni, O, Pt, Ti",-2.41,0.051,1.18,0.397,0.297,good,2,0.5,0.5,4,29.75,2.72125,105.125,12.25,3.5,3.5,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,137.25,7.0,19,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.6,42.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2NiPtO4,Ti2NiPtO4,trimetallic_oxide,3,"Ni, O, Pt, Ti",-3.2,0.018,0.46,0.312,0.406,good,2,0.5,0.5,4,22.75,2.62875,106.125,11.5,3.25,2.625,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,139.25,5.25,19,9,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,13.9,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCuMoO4,TiCuMoO4,trimetallic_oxide,3,"Cu, Mo, O, Ti",-2.62,0.274,1.0,0.418,0.209,good,2,0.5714285714285714,0.4285714285714286,4,17.857142857142858,2.7657142857142856,100.85714285714286,12.142857142857142,3.0,2.4285714285714284,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,138.0,5.666666666666665,17,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,76.2,43.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCuMo2O4,TiCuMo2O4,trimetallic_oxide,3,"Cu, Mo, O, Ti",-2.4,0.101,1.36,0.3,0.372,good,2,0.5,0.5,4,20.875,2.69,105.625,11.375,3.25,2.75,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,138.25,5.5,17,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.4,37.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CuMoO4,Ti2CuMoO4,trimetallic_oxide,3,"Cu, Mo, O, Ti",-3.04,0.155,1.11,0.455,0.294,good,2,0.5,0.5,4,18.375,2.6125,106.625,11.125,3.125,2.375,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,140.25,4.75,17,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,24.3,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCuIrO4,TiCuIrO4,trimetallic_oxide,3,"Cu, Ir, O, Ti",-2.76,0.069,1.02,0.288,0.404,good,2,0.5714285714285714,0.4285714285714286,4,22.857142857142858,2.771428571428572,100.42857142857144,12.571428571428571,3.142857142857143,2.714285714285714,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,137.0,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,82.3,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiCuIr2O4,TiCuIr2O4,trimetallic_oxide,3,"Cu, Ir, O, Ti",-3.04,0.229,0.99,0.261,0.287,good,2,0.5,0.5,4,29.625,2.7,104.875,12.125,3.5,3.25,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,136.75,6.5,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,57.5,37.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2CuIrO4,Ti2CuIrO4,trimetallic_oxide,3,"Cu, Ir, O, Ti",-2.46,0.017,1.26,0.443,0.213,good,2,0.5,0.5,4,22.75,2.6175,106.25,11.5,3.25,2.625,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,139.5,5.25,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,46.5,60.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZnMoO4,TiZnMoO4,trimetallic_oxide,3,"Mo, O, Ti, Zn",-2.89,0.056,0.66,0.287,0.271,good,2,0.5714285714285714,0.4285714285714286,4,18.0,2.7299999999999995,101.71428571428572,12.285714285714285,3.0,2.4285714285714284,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,140.0,5.666666666666665,17,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.7,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZnMo2O4,TiZnMo2O4,trimetallic_oxide,3,"Mo, O, Ti, Zn",-2.79,0.077,0.8,0.335,0.314,good,2,0.5,0.5,4,21.0,2.65875,106.375,11.5,3.25,2.75,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,139.75,5.5,17,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,52.6,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2ZnMoO4,Ti2ZnMoO4,trimetallic_oxide,3,"Mo, O, Ti, Zn",-2.01,0.337,1.88,0.548,0.198,good,2,0.5,0.5,4,18.5,2.58125,107.375,11.25,3.125,2.375,3.44,1.54,1.9,147,73,74,42,8,2.16,1.54,0.6200000000000001,141.75,4.75,17,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.6,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZnIrO4,TiZnIrO4,trimetallic_oxide,3,"Ir, O, Ti, Zn",-2.84,0.006,1.68,0.265,0.406,good,2,0.5714285714285714,0.4285714285714286,4,23.0,2.7357142857142853,101.28571428571428,12.714285714285714,3.142857142857143,2.714285714285714,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,139.0,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,14.3,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZnIr2O4,TiZnIr2O4,trimetallic_oxide,3,"Ir, O, Ti, Zn",-2.49,0.071,1.31,0.336,0.29,good,2,0.5,0.5,4,29.75,2.66875,105.625,12.25,3.5,3.25,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,138.25,6.5,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,62.0,61.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2ZnIrO4,Ti2ZnIrO4,trimetallic_oxide,3,"Ir, O, Ti, Zn",-2.1,0.129,0.56,0.217,0.307,good,2,0.5,0.5,4,22.875,2.58625,107.0,11.625,3.25,2.625,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,141.0,5.25,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,18.4,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZrRuO4,TiZrRuO4,trimetallic_oxide,3,"O, Ru, Ti, Zr",-2.37,0.037,1.48,0.205,0.182,good,2,0.5714285714285714,0.4285714285714286,4,19.71428571428571,2.69,104.71428571428572,11.428571428571429,3.1428571428571423,1.5714285714285714,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,146.99999999999997,3.666666666666666,11,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.7,56.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZrRu2O4,TiZrRu2O4,trimetallic_oxide,3,"O, Ru, Ti, Zr",-2.51,0.089,1.33,0.389,0.363,good,2,0.5,0.5,4,22.75,2.62875,108.375,11.0,3.375,2.25,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,143.75,4.5,11,7,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,37.7,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2ZrRuO4,Ti2ZrRuO4,trimetallic_oxide,3,"O, Ru, Ti, Zr",-2.69,0.072,1.5,0.335,0.352,good,2,0.5,0.5,4,20.0,2.54625,110.0,10.5,3.25,1.625,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,147.0,3.25,11,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,11.3,15.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZrPtO4,TiZrPtO4,trimetallic_oxide,3,"O, Pt, Ti, Zr",-2.73,0.007,0.92,0.323,0.209,good,2,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.701428571428571,105.42857142857144,11.714285714285714,3.2857142857142856,1.857142857142857,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,148.66666666666663,4.333333333333333,13,9,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.2,37.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiZrPt2O4,TiZrPt2O4,trimetallic_oxide,3,"O, Pt, Ti, Zr",-2.93,0.107,1.2,0.274,0.365,good,2,0.5,0.5,4,31.25,2.64875,109.625,11.5,3.625,2.75,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,146.25,5.5,13,9,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.7,13.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2ZrPtO4,Ti2ZrPtO4,trimetallic_oxide,3,"O, Pt, Ti, Zr",-1.46,0.004,1.25,0.247,0.176,good,2,0.5,0.5,4,24.25,2.55625,110.625,10.75,3.375,1.875,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,148.25,3.75,13,9,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,40.8,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNbPdO4,TiNbPdO4,trimetallic_oxide,3,"Nb, O, Pd, Ti",-2.57,0.027,1.2,0.365,0.23,good,2,0.5714285714285714,0.4285714285714286,4,20.142857142857142,2.728571428571428,103.14285714285714,11.857142857142856,3.1428571428571423,2.2857142857142856,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,143.33333333333331,5.333333333333332,16,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.1,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNbPd2O4,TiNbPd2O4,trimetallic_oxide,3,"Nb, O, Pd, Ti",-2.5,0.088,1.11,0.345,0.205,good,2,0.5,0.5,4,23.375,2.6625,107.375,11.625,3.375,3.25,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,141.75,6.5,16,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,32.1,13.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2NbPdO4,Ti2NbPdO4,trimetallic_oxide,3,"Nb, O, Pd, Ti",-2.77,0.057,1.65,0.347,0.288,good,2,0.5,0.5,4,20.375,2.58,108.625,10.875,3.25,2.25,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,144.25,4.5,16,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.5,51.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNbAlO4,TiNbAlO4,trimetallic_oxide,3,"Al, Nb, O, Ti",-2.92,0.188,2.84,0.42,0.309,excellent,3,0.5714285714285714,0.4285714285714286,4,15.428571428571429,2.644285714285714,100.42857142857144,12.285714285714285,2.8571428571428568,0.8571428571428571,3.44,1.54,1.9,147,73,74,41,8,1.61,1.54,0.07,137.0,2.0,6,4,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiNbAl2O4,TiNbAl2O4,trimetallic_oxide,3,"Al, Nb, O, Ti",-1.64,0.068,2.5,0.331,0.515,good,2,0.5,0.5,4,15.125,2.515,102.625,12.375,2.875,0.75,3.44,1.54,1.9,147,73,74,41,8,1.61,1.54,0.07,132.25,1.5,6,4,0.375,0.125,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,43.8,43.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2NbAlO4,Ti2NbAlO4,trimetallic_oxide,3,"Al, Nb, O, Ti",-2.07,0.033,2.44,0.39,0.382,good,2,0.5,0.5,4,16.25,2.50625,106.25,11.25,3.0,1.0,3.44,1.54,1.9,147,73,74,41,8,1.61,1.54,0.07,139.5,2.0,6,4,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,42.3,61.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMoTaO4,TiMoTaO4,trimetallic_oxide,3,"Mo, O, Ta, Ti",-2.36,0.114,0.82,0.428,0.288,good,2,0.5714285714285714,0.4285714285714286,4,24.142857142857142,2.708571428571428,103.42857142857144,11.285714285714285,3.2857142857142856,1.4285714285714284,3.44,1.5,1.94,147,73,74,73,8,2.16,1.5,0.6600000000000001,144.0,3.333333333333333,10,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,32.2,8.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMoTa2O4,TiMoTa2O4,trimetallic_oxide,3,"Mo, O, Ta, Ti",-2.25,0.083,0.95,0.378,0.252,good,2,0.5,0.5,4,30.25,2.5575,108.75,10.5,3.625,1.625,3.44,1.5,1.94,147,73,74,73,8,2.16,1.5,0.6600000000000001,144.5,3.25,10,5,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,59.4,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2MoTaO4,Ti2MoTaO4,trimetallic_oxide,3,"Mo, O, Ta, Ti",-3.11,0.038,1.07,0.289,0.301,good,2,0.5,0.5,4,23.875,2.5625,108.875,10.375,3.375,1.5,3.44,1.5,1.94,147,73,74,73,8,2.16,1.5,0.6600000000000001,144.75,3.0,10,5,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.6,41.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMoLaO4,TiMoLaO4,trimetallic_oxide,3,"La, Mo, O, Ti",-2.76,0.134,2.24,0.471,0.35,excellent,3,0.5714285714285714,0.4285714285714286,4,21.857142857142858,2.6514285714285712,109.28571428571428,11.0,3.2857142857142856,1.1428571428571428,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,157.66666666666663,2.666666666666666,8,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,57.3,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiMoLa2O4,TiMoLa2O4,trimetallic_oxide,3,"La, Mo, O, Ti",-2.34,0.081,1.23,0.227,0.389,good,2,0.5,0.5,4,26.25,2.4575,119.0,10.0,3.625,1.125,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,165.0,2.25,8,5,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,42.1,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2MoLaO4,Ti2MoLaO4,trimetallic_oxide,3,"La, Mo, O, Ti",-2.93,0.127,1.49,0.429,0.33,good,2,0.5,0.5,4,21.875,2.5125,114.0,10.125,3.375,1.25,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,155.0,2.5,8,5,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,38.9,50.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiRuIrO4,TiRuIrO4,trimetallic_oxide,3,"Ir, O, Ru, Ti",-2.47,0.105,0.4,0.367,0.279,good,2,0.5714285714285714,0.4285714285714286,4,25.0,2.814285714285714,101.28571428571428,12.142857142857142,3.2857142857142856,2.2857142857142856,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,139.0,5.333333333333333,16,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,44.0,42.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiRuIr2O4,TiRuIr2O4,trimetallic_oxide,3,"Ir, O, Ru, Ti",-2.94,0.097,0.87,0.166,0.253,good,2,0.5,0.5,4,31.5,2.7375,105.625,11.75,3.625,2.875,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,138.25,5.75,16,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,45.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2RuIrO4,Ti2RuIrO4,trimetallic_oxide,3,"Ir, O, Ru, Ti",-3.27,0.11,1.13,0.182,0.371,excellent,3,0.5,0.5,4,24.625,2.655,107.0,11.125,3.375,2.25,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,141.0,4.5,16,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,64.8,46.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiRhHfO4,TiRhHfO4,trimetallic_oxide,3,"Hf, O, Rh, Ti",-2.85,0.103,1.18,0.29,0.309,good,2,0.5714285714285714,0.4285714285714286,4,24.428571428571427,2.697142857142857,104.57142857142856,11.571428571428571,3.2857142857142856,1.7142857142857142,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.66666666666666,4.0,12,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.3,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiRhHf2O4,TiRhHf2O4,trimetallic_oxide,3,"Hf, O, Rh, Ti",-3.1,0.212,1.4,0.364,0.317,excellent,3,0.5,0.5,4,30.375,2.5225,111.375,10.625,3.625,1.75,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,149.75,3.5,12,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.3,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2RhHfO4,Ti2RhHfO4,trimetallic_oxide,3,"Hf, O, Rh, Ti",-2.64,0.129,1.69,0.371,0.437,good,2,0.5,0.5,4,24.125,2.5525,109.875,10.625,3.375,1.75,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.75,3.5,12,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.4,45.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiRhBiO4,TiRhBiO4,trimetallic_oxide,3,"Bi, O, Rh, Ti",-2.69,0.056,1.11,0.305,0.327,good,2,0.5714285714285714,0.4285714285714286,4,26.0,2.8,102.28571428571428,13.142857142857142,3.2857142857142856,2.8571428571428568,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,141.33333333333331,6.666666666666666,20,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,41.7,35.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiRhBi2O4,TiRhBi2O4,trimetallic_oxide,3,"Bi, O, Rh, Ti",-3.48,0.026,1.12,0.12,0.287,excellent,3,0.5,0.5,4,33.125,2.7025,107.375,13.375,3.625,3.75,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,141.75,7.5,20,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,23.9,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2RhBiO4,Ti2RhBiO4,trimetallic_oxide,3,"Bi, O, Rh, Ti",-2.03,0.066,1.01,0.448,0.212,good,2,0.5,0.5,4,25.5,2.6425,107.875,12.0,3.375,2.75,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,142.75,5.5,20,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,39.7,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiPdPtO4,TiPdPtO4,trimetallic_oxide,3,"O, Pd, Pt, Ti",-2.56,0.045,0.82,0.243,0.242,good,2,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.8257142857142856,102.14285714285714,12.571428571428571,3.2857142857142856,3.0,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,140.99999999999997,6.999999999999999,21,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,19.2,25.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiPdPt2O4,TiPdPt2O4,trimetallic_oxide,3,"O, Pd, Pt, Ti",-2.76,0.193,1.6,0.28,0.205,good,2,0.5,0.5,4,32.0,2.7575,106.75,12.25,3.625,3.75,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,140.5,7.5,21,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.5,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2PdPtO4,Ti2PdPtO4,trimetallic_oxide,3,"O, Pd, Pt, Ti",-2.26,0.085,0.14,0.147,0.319,good,2,0.5,0.5,4,25.0,2.665,107.75,11.5,3.375,2.875,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,142.5,5.75,21,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,57.6,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiAgReO4,TiAgReO4,trimetallic_oxide,3,"Ag, O, Re, Ti",-2.92,0.007,0.63,0.397,0.249,good,2,0.5714285714285714,0.4285714285714286,4,25.142857142857142,2.7328571428571427,102.85714285714286,12.285714285714285,3.2857142857142856,2.4285714285714284,3.44,1.54,1.9,147,73,74,75,8,1.93,1.54,0.3899999999999999,142.66666666666663,5.666666666666665,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,15.4,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiAgRe2O4,TiAgRe2O4,trimetallic_oxide,3,"Ag, O, Re, Ti",-3.21,0.352,0.94,0.232,0.288,good,2,0.5,0.5,4,31.375,2.62875,107.125,11.625,3.625,2.75,3.44,1.54,1.9,147,73,74,75,8,1.93,1.54,0.3899999999999999,141.25,5.5,17,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.5,45.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2AgReO4,Ti2AgReO4,trimetallic_oxide,3,"Ag, O, Re, Ti",-2.47,0.071,0.63,0.381,0.305,good,2,0.5,0.5,4,24.75,2.58375,108.375,11.25,3.375,2.375,3.44,1.54,1.9,147,73,74,75,8,1.93,1.54,0.3899999999999999,143.75,4.75,17,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,28.8,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiHfTaO4,TiHfTaO4,trimetallic_oxide,3,"Hf, O, Ta, Ti",-2.93,0.09,0.94,0.412,0.361,good,2,0.5714285714285714,0.4285714285714286,4,28.428571428571427,2.5857142857142854,106.28571428571428,11.0,3.4285714285714284,1.0,3.44,1.3,2.14,159,73,86,73,8,1.54,1.3,0.24,150.66666666666666,2.333333333333333,7,3,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.2,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiHfTa2O4,TiHfTa2O4,trimetallic_oxide,3,"Hf, O, Ta, Ti",-2.46,0.211,1.31,0.198,0.305,good,2,0.5,0.5,4,34.0,2.45,111.25,10.25,3.75,1.25,3.44,1.3,2.14,159,73,86,73,8,1.54,1.3,0.24,149.5,2.5,7,3,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.9,29.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2HfTaO4,Ti2HfTaO4,trimetallic_oxide,3,"Hf, O, Ta, Ti",-2.66,0.219,1.55,0.318,0.445,good,2,0.5,0.5,4,27.625,2.455,111.375,10.125,3.5,1.125,3.44,1.3,2.14,159,73,86,73,8,1.54,1.3,0.24,149.75,2.25,7,3,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,24.4,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiHfLaO4,TiHfLaO4,trimetallic_oxide,3,"Hf, La, O, Ti",-2.76,0.347,1.65,0.34,0.36,good,2,0.5714285714285714,0.4285714285714286,4,26.142857142857142,2.5285714285714285,112.14285714285714,10.714285714285714,3.4285714285714284,0.7142857142857142,3.44,1.1,2.34,187,73,114,72,8,1.54,1.1,0.4399999999999999,164.33333333333331,1.6666666666666663,5,2,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.1428571428571428,True,False,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,64.4,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiHfLa2O4,TiHfLa2O4,trimetallic_oxide,3,"Hf, La, O, Ti",-3.01,0.039,1.41,0.377,0.419,good,2,0.5,0.5,4,30.0,2.35,121.5,9.75,3.75,0.75,3.44,1.1,2.34,187,73,114,72,8,1.54,1.1,0.4399999999999999,170.0,1.5,5,2,0.125,0.0,0.375,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,40.0,36.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2HfLaO4,Ti2HfLaO4,trimetallic_oxide,3,"Hf, La, O, Ti",-3.33,0.122,1.82,0.489,0.37,excellent,3,0.5,0.5,4,25.625,2.405,116.5,9.875,3.5,0.875,3.44,1.1,2.34,187,73,114,72,8,1.54,1.1,0.4399999999999999,160.0,1.75,5,2,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,41.2,35.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiTaBiO4,TiTaBiO4,trimetallic_oxide,3,"Bi, O, Ta, Ti",-2.22,0.224,1.23,0.289,0.38,good,2,0.5714285714285714,0.4285714285714286,4,30.0,2.688571428571428,104.0,12.571428571428571,3.4285714285714284,2.142857142857143,3.44,1.5,1.94,147,73,74,83,8,2.02,1.5,0.52,145.33333333333331,4.999999999999999,15,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,58.0,41.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiTaBi2O4,TiTaBi2O4,trimetallic_oxide,3,"Bi, O, Ta, Ti",-2.86,0.063,1.31,0.406,0.361,good,2,0.5,0.5,4,36.625,2.605,108.875,12.875,3.75,3.125,3.44,1.5,1.94,147,73,74,83,8,2.02,1.5,0.52,144.75,6.25,15,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,39.6,19.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2TaBiO4,Ti2TaBiO4,trimetallic_oxide,3,"Bi, O, Ta, Ti",-3.45,0.218,1.13,0.481,0.285,excellent,3,0.5,0.5,4,29.0,2.545,109.375,11.5,3.5,2.125,3.44,1.5,1.94,147,73,74,83,8,2.02,1.5,0.52,145.75,4.25,15,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,40.2,52.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiWBiO4,TiWBiO4,trimetallic_oxide,3,"Bi, O, Ti, W",-3.36,0.169,0.71,0.333,0.177,good,2,0.5714285714285714,0.4285714285714286,4,30.142857142857142,2.8114285714285714,103.0,12.714285714285714,3.4285714285714284,2.2857142857142856,3.44,1.54,1.9,147,73,74,83,8,2.36,1.54,0.8199999999999998,142.99999999999997,5.333333333333332,16,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,7.7,43.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiWBi2O4,TiWBi2O4,trimetallic_oxide,3,"Bi, O, Ti, W",-3.53,0.096,1.1,0.172,0.361,excellent,3,0.5,0.5,4,36.75,2.7125,108.0,13.0,3.75,3.25,3.44,1.54,1.9,147,73,74,83,8,2.36,1.54,0.8199999999999998,143.0,6.5,16,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,14.6,39.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2WBiO4,Ti2WBiO4,trimetallic_oxide,3,"Bi, O, Ti, W",-2.33,0.023,1.01,0.419,0.382,good,2,0.5,0.5,4,29.125,2.6525,108.5,11.625,3.5,2.25,3.44,1.54,1.9,147,73,74,83,8,2.36,1.54,0.8199999999999998,144.0,4.5,16,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.6,23.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiReLaO4,TiReLaO4,trimetallic_oxide,3,"La, O, Re, Ti",-3.09,0.305,1.2,0.373,0.286,good,2,0.5714285714285714,0.4285714285714286,4,26.57142857142857,2.614285714285714,109.0,11.142857142857142,3.4285714285714284,1.1428571428571428,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,156.99999999999997,2.666666666666666,8,5,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.1428571428571428,True,False,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,37.8,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiReLa2O4,TiReLa2O4,trimetallic_oxide,3,"La, O, Re, Ti",-2.47,0.155,1.4,0.377,0.379,good,2,0.5,0.5,4,30.375,2.425,118.75,10.125,3.75,1.125,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,164.5,2.25,8,5,0.125,0.0,0.375,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,42.4,9.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2ReLaO4,Ti2ReLaO4,trimetallic_oxide,3,"La, O, Re, Ti",-2.57,0.098,1.29,0.4,0.358,good,2,0.5,0.5,4,26.0,2.48,113.75,10.25,3.5,1.25,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,154.5,2.5,8,5,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,26.6,26.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiIrPtO4,TiIrPtO4,trimetallic_oxide,3,"Ir, O, Pt, Ti",-3.03,0.53,0.91,0.342,0.406,good,2,0.5714285714285714,0.4285714285714286,4,29.857142857142858,2.8257142857142856,102.0,12.428571428571429,3.4285714285714284,2.571428571428571,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,140.66666666666666,5.999999999999999,18,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,36.3,5.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiIrPt2O4,TiIrPt2O4,trimetallic_oxide,3,"Ir, O, Pt, Ti",-3.1,0.046,1.09,0.442,0.327,good,2,0.5,0.5,4,35.875,2.7575,106.625,12.125,3.75,3.375,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,140.25,6.75,18,9,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.3,38.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2IrPtO4,Ti2IrPtO4,trimetallic_oxide,3,"Ir, O, Pt, Ti",-2.3,0.063,1.03,0.45,0.361,good,2,0.5,0.5,4,28.875,2.665,107.625,11.375,3.5,2.5,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,142.25,5.0,18,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,56.1,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiPtBiO4,TiPtBiO4,trimetallic_oxide,3,"Bi, O, Pt, Ti",-2.5,0.048,0.99,0.371,0.287,good,2,0.5714285714285714,0.4285714285714286,4,30.71428571428571,2.8,103.0,13.285714285714285,3.4285714285714284,3.0,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,142.99999999999997,6.999999999999999,21,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,59.8,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiPtBi2O4,TiPtBi2O4,trimetallic_oxide,3,"Bi, O, Pt, Ti",-2.59,0.154,1.54,0.309,0.225,good,2,0.5,0.5,4,37.25,2.7025,108.0,13.5,3.75,3.875,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,143.0,7.75,21,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,24.9,17.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2PtBiO4,Ti2PtBiO4,trimetallic_oxide,3,"Bi, O, Pt, Ti",-2.73,0.271,1.0,0.232,0.23,good,2,0.5,0.5,4,29.625,2.6425,108.5,12.125,3.5,2.875,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,144.0,5.75,21,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,41.4,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiAlLaO4,TiAlLaO4,trimetallic_oxide,3,"Al, La, O, Ti",-2.46,0.06,2.64,0.334,0.337,excellent,3,0.5714285714285714,0.4285714285714286,4,17.71428571428571,2.5728571428571425,106.28571428571428,12.0,3.0,0.4285714285714285,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,150.66666666666663,1.0,3,2,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,False,True,False,True,True,False,False,True,Orthorhombic,0,0,0,1,0,0,0,67.9,15.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiAlLa2O4,TiAlLa2O4,trimetallic_oxide,3,"Al, La, O, Ti",-3.0,0.02,2.29,0.319,0.313,excellent,3,0.5,0.5,4,22.625,2.38875,116.375,10.875,3.375,0.5,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,159.75,1.0,3,2,0.25,0.0,0.25,0.125,0,0,0.25,True,False,True,False,True,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,64.7,48.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ti2AlLaO4,Ti2AlLaO4,trimetallic_oxide,3,"Al, La, O, Ti",-2.64,0.26,2.77,0.42,0.406,excellent,3,0.5,0.5,4,18.25,2.44375,111.375,11.0,3.125,0.625,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,149.75,1.25,3,2,0.375,0.0,0.125,0.125,0,0,0.125,True,False,True,False,True,True,False,False,True,Tetragonal,0,1,0,0,0,0,0,39.1,28.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCrCoO4,VCrCoO4,trimetallic_oxide,3,"Co, Cr, O, V",-3.15,0.288,1.69,0.379,0.398,excellent,3,0.5714285714285714,0.4285714285714286,4,15.142857142857142,2.704285714285714,97.0,12.0,2.8571428571428568,2.142857142857143,3.44,1.63,1.81,134,73,61,27,8,1.88,1.63,0.25,129.0,4.999999999999999,15,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.1,52.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCrCo2O4,VCrCo2O4,trimetallic_oxide,3,"Co, Cr, O, V",-2.48,0.043,1.66,0.251,0.255,good,2,0.5,0.5,4,16.625,2.60125,100.5,11.625,3.0,2.75,3.44,1.63,1.81,134,73,61,27,8,1.88,1.63,0.25,128.0,5.5,15,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.1,26.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CrCoO4,V2CrCoO4,trimetallic_oxide,3,"Co, Cr, O, V",-2.84,0.077,1.57,0.299,0.347,good,2,0.5,0.5,4,16.125,2.57,101.625,11.125,3.0,2.25,3.44,1.63,1.81,134,73,61,27,8,1.88,1.63,0.25,130.25,4.5,15,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,57.0,17.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCrAgO4,VCrAgO4,trimetallic_oxide,3,"Ag, Cr, O, V",-2.36,0.116,0.72,0.242,0.365,good,2,0.5714285714285714,0.4285714285714286,4,18.0,2.7114285714285717,99.71428571428572,12.285714285714285,3.0,2.571428571428571,3.44,1.63,1.81,144,73,71,47,8,1.93,1.63,0.3,135.33333333333331,5.999999999999999,18,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,17.8,33.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCrAg2O4,VCrAg2O4,trimetallic_oxide,3,"Ag, Cr, O, V",-2.98,0.054,1.27,0.382,0.292,good,2,0.5,0.5,4,21.625,2.61375,105.25,12.125,3.25,3.5,3.44,1.63,1.81,144,73,71,47,8,1.93,1.63,0.3,137.5,7.0,18,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,38.7,46.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CrAgO4,V2CrAgO4,trimetallic_oxide,3,"Ag, Cr, O, V",-2.91,0.276,1.15,0.249,0.175,good,2,0.5,0.5,4,18.625,2.57625,104.0,11.375,3.125,2.625,3.44,1.63,1.81,144,73,71,47,8,1.93,1.63,0.3,135.0,5.25,18,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.5,16.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCrSnO4,VCrSnO4,trimetallic_oxide,3,"Cr, O, Sn, V",-3.15,0.581,0.92,0.309,0.274,good,2,0.5714285714285714,0.4285714285714286,4,18.428571428571427,2.7157142857142853,99.85714285714286,12.714285714285714,3.0,2.571428571428571,3.44,1.63,1.81,145,73,72,50,8,1.96,1.63,0.33,135.66666666666666,5.999999999999999,18,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,21.4,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCrSn2O4,VCrSn2O4,trimetallic_oxide,3,"Cr, O, Sn, V",-2.52,0.168,0.7,0.381,0.234,good,2,0.5,0.5,4,22.375,2.62125,105.5,12.875,3.25,3.5,3.44,1.63,1.81,145,73,72,50,8,1.96,1.63,0.33,138.0,7.0,18,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,19.2,33.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CrSnO4,V2CrSnO4,trimetallic_oxide,3,"Cr, O, Sn, V",-2.2,0.397,0.36,0.4,0.316,good,2,0.5,0.5,4,19.0,2.58,104.125,11.75,3.125,2.625,3.44,1.63,1.81,145,73,72,50,8,1.96,1.63,0.33,135.25,5.25,18,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.3,13.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMnNbO4,VMnNbO4,trimetallic_oxide,3,"Mn, Nb, O, V",-3.03,0.066,1.62,0.386,0.392,excellent,3,0.5714285714285714,0.4285714285714286,4,17.285714285714285,2.648571428571428,99.85714285714286,11.571428571428571,3.0,1.7142857142857142,3.44,1.55,1.89,146,73,73,41,8,1.63,1.55,0.0799999999999998,135.66666666666666,4.0,12,5,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,20.2,24.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMnNb2O4,VMnNb2O4,trimetallic_oxide,3,"Mn, Nb, O, V",-2.81,0.073,0.83,0.247,0.301,good,2,0.5,0.5,4,20.25,2.5175,105.625,10.75,3.25,2.0,3.44,1.55,1.89,146,73,73,41,8,1.63,1.55,0.0799999999999998,138.25,4.0,12,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,22.9,39.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2MnNbO4,V2MnNbO4,trimetallic_oxide,3,"Mn, Nb, O, V",-1.95,0.013,1.5,0.447,0.319,good,2,0.5,0.5,4,18.0,2.52125,104.125,10.75,3.125,1.875,3.44,1.55,1.89,146,73,73,41,8,1.63,1.55,0.0799999999999998,135.25,3.75,12,5,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,18.7,56.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMnOsO4,VMnOsO4,trimetallic_oxide,3,"Mn, O, Os, V",-3.1,0.241,1.36,0.231,0.217,excellent,3,0.5714285714285714,0.4285714285714286,4,22.285714285714285,2.734285714285714,98.28571428571428,12.0,3.142857142857143,2.0,3.44,1.55,1.89,135,73,62,76,8,2.2,1.55,0.6500000000000001,132.0,4.666666666666666,14,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,56.1,30.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMnOs2O4,VMnOs2O4,trimetallic_oxide,3,"Mn, O, Os, V",-2.88,0.14,1.05,0.324,0.264,good,2,0.5,0.5,4,29.0,2.6675,102.875,11.5,3.5,2.5,3.44,1.55,1.89,135,73,62,76,8,2.2,1.55,0.6500000000000001,132.75,5.0,14,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,27.6,31.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2MnOsO4,V2MnOsO4,trimetallic_oxide,3,"Mn, O, Os, V",-2.28,0.037,0.38,0.284,0.224,good,2,0.5,0.5,4,22.375,2.59625,102.75,11.125,3.25,2.125,3.44,1.55,1.89,135,73,62,76,8,2.2,1.55,0.6500000000000001,132.5,4.25,14,6,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.8,9.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VFeNiO4,VFeNiO4,trimetallic_oxide,3,"Fe, Ni, O, V",-2.38,0.11,1.74,0.316,0.219,good,2,0.5714285714285714,0.4285714285714286,4,15.571428571428571,2.7328571428571427,96.57142857142856,12.428571428571429,2.8571428571428568,2.4285714285714284,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,128.0,5.666666666666666,17,8,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.0,40.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VFeNi2O4,VFeNi2O4,trimetallic_oxide,3,"Fe, Ni, O, V",-2.45,0.128,0.79,0.318,0.189,good,2,0.5,0.5,4,17.125,2.63,100.0,12.125,3.0,3.125,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,127.0,6.25,17,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.9,40.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2FeNiO4,V2FeNiO4,trimetallic_oxide,3,"Fe, Ni, O, V",-2.0,0.079,1.18,0.197,0.417,good,2,0.5,0.5,4,16.5,2.595,101.25,11.5,3.0,2.5,3.44,1.63,1.81,134,73,61,28,8,1.91,1.63,0.28,129.5,5.0,17,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,46.1,21.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VFeHfO4,VFeHfO4,trimetallic_oxide,3,"Fe, Hf, O, V",-2.94,0.143,1.37,0.344,0.337,good,2,0.5714285714285714,0.4285714285714286,4,21.85714285714285,2.645714285714285,101.57142857142856,11.571428571428571,3.142857142857143,1.5714285714285714,3.44,1.3,2.14,159,73,86,72,8,1.83,1.3,0.53,139.66666666666666,3.666666666666666,11,6,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.3,20.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VFeHf2O4,VFeHf2O4,trimetallic_oxide,3,"Fe, Hf, O, V",-2.69,0.002,1.01,0.195,0.28,good,2,0.5,0.5,4,28.125,2.4775,108.75,10.625,3.5,1.625,3.44,1.3,2.14,159,73,86,72,8,1.83,1.3,0.53,144.5,3.25,11,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,27.5,17.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2FeHfO4,V2FeHfO4,trimetallic_oxide,3,"Fe, Hf, O, V",-2.32,0.15,1.21,0.303,0.336,good,2,0.5,0.5,4,22.0,2.51875,105.625,10.75,3.25,1.75,3.44,1.3,2.14,159,73,86,72,8,1.83,1.3,0.53,138.25,3.5,11,6,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.6,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VFeBiO4,VFeBiO4,trimetallic_oxide,3,"Bi, Fe, O, V",-2.54,0.142,1.71,0.313,0.343,good,2,0.5714285714285714,0.4285714285714286,4,23.428571428571427,2.748571428571428,99.28571428571428,13.142857142857142,3.142857142857143,2.714285714285714,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,134.33333333333331,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.0,31.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VFeBi2O4,VFeBi2O4,trimetallic_oxide,3,"Bi, Fe, O, V",-2.27,0.07,1.02,0.377,0.264,good,2,0.5,0.5,4,30.875,2.6575,104.75,13.375,3.5,3.625,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,136.5,7.25,19,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,55.6,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2FeBiO4,V2FeBiO4,trimetallic_oxide,3,"Bi, Fe, O, V",-2.16,0.406,1.66,0.312,0.313,good,2,0.5,0.5,4,23.375,2.60875,103.625,12.125,3.25,2.75,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,134.25,5.5,19,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,16.5,20.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCoRhO4,VCoRhO4,trimetallic_oxide,3,"Co, O, Rh, V",-2.67,0.18,0.93,0.378,0.262,good,2,0.5714285714285714,0.4285714285714286,4,18.142857142857142,2.7928571428571427,97.85714285714286,12.428571428571429,3.0,2.571428571428571,3.44,1.63,1.81,134,73,61,45,8,2.28,1.63,0.6499999999999999,131.0,5.999999999999999,18,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,28.2,56.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCoRh2O4,VCoRh2O4,trimetallic_oxide,3,"Co, O, Rh, V",-2.74,0.026,0.95,0.427,0.205,good,2,0.5,0.5,4,21.5,2.72875,102.375,12.0,3.25,3.25,3.44,1.63,1.81,134,73,61,45,8,2.28,1.63,0.6499999999999999,131.75,6.5,18,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,51.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CoRhO4,V2CoRhO4,trimetallic_oxide,3,"Co, O, Rh, V",-2.67,0.879,1.34,0.235,0.333,good,2,0.5,0.5,4,18.75,2.6475,102.375,11.5,3.125,2.625,3.44,1.63,1.81,134,73,61,45,8,2.28,1.63,0.6499999999999999,131.75,5.25,18,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.8,21.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCoAuO4,VCoAuO4,trimetallic_oxide,3,"Au, Co, O, V",-3.18,0.231,1.18,0.411,0.259,excellent,3,0.5714285714285714,0.4285714285714286,4,23.0,2.83,99.28571428571428,12.714285714285714,3.142857142857143,2.8571428571428568,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,134.33333333333331,6.666666666666665,20,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,46.9,15.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCoAu2O4,VCoAu2O4,trimetallic_oxide,3,"Au, Co, O, V",-3.82,0.206,1.33,0.324,0.259,excellent,3,0.5,0.5,4,30.0,2.79375,104.875,12.5,3.5,3.75,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,136.75,7.5,20,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.4,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CoAuO4,V2CoAuO4,trimetallic_oxide,3,"Au, Co, O, V",-2.4,0.395,0.58,0.419,0.32,good,2,0.5,0.5,4,23.0,2.68,103.625,11.75,3.25,2.875,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,134.25,5.75,20,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,24.2,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNiMoO4,VNiMoO4,trimetallic_oxide,3,"Mo, Ni, O, V",-3.21,0.005,1.0,0.414,0.315,good,2,0.5714285714285714,0.4285714285714286,4,17.857142857142858,2.78,98.42857142857144,12.142857142857142,3.0,2.2857142857142856,3.44,1.63,1.81,139,73,66,42,8,2.16,1.63,0.5300000000000002,132.33333333333331,5.333333333333333,16,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,24.0,27.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNiMo2O4,VNiMo2O4,trimetallic_oxide,3,"Mo, Ni, O, V",-2.76,0.316,1.43,0.414,0.372,good,2,0.5,0.5,4,20.875,2.7025,103.5,11.375,3.25,2.625,3.44,1.63,1.81,139,73,66,42,8,2.16,1.63,0.5300000000000002,134.0,5.25,16,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,66.0,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2NiMoO4,V2NiMoO4,trimetallic_oxide,3,"Mo, Ni, O, V",-2.51,0.134,1.18,0.294,0.337,good,2,0.5,0.5,4,18.5,2.63625,102.875,11.25,3.125,2.375,3.44,1.63,1.81,139,73,66,42,8,2.16,1.63,0.5300000000000002,132.75,4.75,16,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNiIrO4,VNiIrO4,trimetallic_oxide,3,"Ir, Ni, O, V",-2.69,0.217,0.78,0.308,0.381,good,2,0.5714285714285714,0.4285714285714286,4,22.857142857142858,2.7857142857142856,98.0,12.571428571428571,3.142857142857143,2.571428571428571,3.44,1.63,1.81,136,73,63,77,8,2.2,1.63,0.5700000000000003,131.33333333333331,5.999999999999999,18,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,33.5,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNiIr2O4,VNiIr2O4,trimetallic_oxide,3,"Ir, Ni, O, V",-2.69,0.03,0.76,0.177,0.319,good,2,0.5,0.5,4,29.625,2.7125,102.75,12.125,3.5,3.125,3.44,1.63,1.81,136,73,63,77,8,2.2,1.63,0.5700000000000003,132.5,6.25,18,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.1,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2NiIrO4,V2NiIrO4,trimetallic_oxide,3,"Ir, Ni, O, V",-3.37,0.028,1.01,0.274,0.318,excellent,3,0.5,0.5,4,22.875,2.64125,102.5,11.625,3.25,2.625,3.44,1.63,1.81,136,73,63,77,8,2.2,1.63,0.5700000000000003,132.0,5.25,18,8,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,67.6,20.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCuNbO4,VCuNbO4,trimetallic_oxide,3,"Cu, Nb, O, V",-2.74,0.081,1.09,0.3,0.249,good,2,0.5714285714285714,0.4285714285714286,4,17.857142857142854,2.6985714285714284,100.0,12.142857142857142,3.0,2.4285714285714284,3.44,1.6,1.84,146,73,73,41,8,1.9,1.6,0.2999999999999998,136.0,5.666666666666666,17,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.4,50.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCuNb2O4,VCuNb2O4,trimetallic_oxide,3,"Cu, Nb, O, V",-3.17,0.005,1.31,0.287,0.392,excellent,3,0.5,0.5,4,20.75,2.56125,105.75,11.25,3.25,2.625,3.44,1.6,1.84,146,73,73,41,8,1.9,1.6,0.2999999999999998,138.5,5.25,17,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.2,59.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CuNbO4,V2CuNbO4,trimetallic_oxide,3,"Cu, Nb, O, V",-3.71,0.038,1.14,0.407,0.367,excellent,3,0.5,0.5,4,18.5,2.565,104.25,11.25,3.125,2.5,3.44,1.6,1.84,146,73,73,41,8,1.9,1.6,0.2999999999999998,135.5,5.0,17,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.4,25.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCuOsO4,VCuOsO4,trimetallic_oxide,3,"Cu, O, Os, V",-2.79,0.485,1.09,0.193,0.164,good,2,0.5714285714285714,0.4285714285714286,4,22.85714285714285,2.784285714285714,98.42857142857144,12.571428571428571,3.142857142857143,2.714285714285714,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,132.33333333333331,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.3,35.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VCuOs2O4,VCuOs2O4,trimetallic_oxide,3,"Cu, O, Os, V",-2.21,0.079,0.89,0.316,0.277,good,2,0.5,0.5,4,29.5,2.71125,103.0,12.0,3.5,3.125,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,133.0,6.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,12.9,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2CuOsO4,V2CuOsO4,trimetallic_oxide,3,"Cu, O, Os, V",-2.62,0.16,1.11,0.42,0.346,good,2,0.5,0.5,4,22.875,2.64,102.875,11.625,3.25,2.75,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,132.75,5.5,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,49.0,31.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZnNbO4,VZnNbO4,trimetallic_oxide,3,"Nb, O, V, Zn",-3.19,0.154,0.81,0.215,0.256,good,2,0.5714285714285714,0.4285714285714286,4,18.0,2.662857142857143,100.85714285714286,12.285714285714285,3.0,2.4285714285714284,3.44,1.6,1.84,146,73,73,41,8,1.65,1.6,0.0499999999999998,138.0,5.666666666666666,17,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,53.6,13.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZnNb2O4,VZnNb2O4,trimetallic_oxide,3,"Nb, O, V, Zn",-2.38,0.109,1.69,0.185,0.293,good,2,0.5,0.5,4,20.875,2.53,106.5,11.375,3.25,2.625,3.44,1.6,1.84,146,73,73,41,8,1.65,1.6,0.0499999999999998,140.0,5.25,17,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.0,18.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2ZnNbO4,V2ZnNbO4,trimetallic_oxide,3,"Nb, O, V, Zn",-2.45,0.28,1.29,0.192,0.275,good,2,0.5,0.5,4,18.625,2.53375,105.0,11.375,3.125,2.5,3.44,1.6,1.84,146,73,73,41,8,1.65,1.6,0.0499999999999998,137.0,5.0,17,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.8,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZnOsO4,VZnOsO4,trimetallic_oxide,3,"O, Os, V, Zn",-3.17,0.033,1.3,0.325,0.348,excellent,3,0.5714285714285714,0.4285714285714286,4,23.0,2.748571428571428,99.28571428571428,12.714285714285714,3.142857142857143,2.714285714285714,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.33333333333331,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,36.9,25.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZnOs2O4,VZnOs2O4,trimetallic_oxide,3,"O, Os, V, Zn",-3.02,0.297,1.37,0.251,0.291,good,2,0.5,0.5,4,29.625,2.68,103.75,12.125,3.5,3.125,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.5,6.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,44.6,31.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2ZnOsO4,V2ZnOsO4,trimetallic_oxide,3,"O, Os, V, Zn",-2.64,0.039,0.38,0.157,0.256,good,2,0.5,0.5,4,23.0,2.60875,103.625,11.75,3.25,2.75,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.25,5.5,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.6,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZrMoO4,VZrMoO4,trimetallic_oxide,3,"Mo, O, V, Zr",-2.3,0.091,1.43,0.235,0.361,good,2,0.5714285714285714,0.4285714285714286,4,19.57142857142857,2.697142857142857,103.57142857142856,11.285714285714285,3.1428571428571423,1.4285714285714284,3.44,1.33,2.11,160,73,87,42,8,2.16,1.33,0.8300000000000001,144.33333333333331,3.333333333333333,10,5,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,47.0,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZrMo2O4,VZrMo2O4,trimetallic_oxide,3,"Mo, O, V, Zr",-2.76,0.037,1.34,0.26,0.443,good,2,0.5,0.5,4,22.375,2.63,108.0,10.625,3.375,1.875,3.44,1.33,2.11,160,73,87,42,8,2.16,1.33,0.8300000000000001,143.0,3.75,10,5,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.7,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2ZrMoO4,V2ZrMoO4,trimetallic_oxide,3,"Mo, O, V, Zr",-3.26,0.065,1.28,0.36,0.318,excellent,3,0.5,0.5,4,20.0,2.56375,107.375,10.5,3.25,1.625,3.44,1.33,2.11,160,73,87,42,8,2.16,1.33,0.8300000000000001,141.75,3.25,10,5,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.6,42.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZrIrO4,VZrIrO4,trimetallic_oxide,3,"Ir, O, V, Zr",-2.89,0.009,1.04,0.31,0.304,good,2,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.702857142857143,103.14285714285714,11.714285714285714,3.2857142857142856,1.7142857142857142,3.44,1.33,2.11,160,73,87,77,8,2.2,1.33,0.8700000000000001,143.33333333333331,4.0,12,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VZrIr2O4,VZrIr2O4,trimetallic_oxide,3,"Ir, O, V, Zr",-2.9,0.203,1.33,0.344,0.216,good,2,0.5,0.5,4,31.125,2.64,107.25,11.375,3.625,2.375,3.44,1.33,2.11,160,73,87,77,8,2.2,1.33,0.8700000000000001,141.5,4.75,12,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.3,40.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2ZrIrO4,V2ZrIrO4,trimetallic_oxide,3,"Ir, O, V, Zr",-1.91,0.057,1.27,0.272,0.37,good,2,0.5,0.5,4,24.375,2.56875,107.0,10.875,3.375,1.875,3.44,1.33,2.11,160,73,87,77,8,2.2,1.33,0.8700000000000001,141.0,3.75,12,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,56.6,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNbRhO4,VNbRhO4,trimetallic_oxide,3,"Nb, O, Rh, V",-2.87,0.025,1.14,0.447,0.328,good,2,0.5714285714285714,0.4285714285714286,4,20.142857142857142,2.7528571428571427,100.85714285714286,11.857142857142856,3.1428571428571423,2.142857142857143,3.44,1.6,1.84,146,73,73,45,8,2.28,1.6,0.6799999999999997,138.0,5.0,15,8,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,70.7,51.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNbRh2O4,VNbRh2O4,trimetallic_oxide,3,"Nb, O, Rh, V",-2.68,0.137,1.21,0.327,0.342,good,2,0.5,0.5,4,23.25,2.69375,105.0,11.5,3.375,2.875,3.44,1.6,1.84,146,73,73,45,8,2.28,1.6,0.6799999999999997,137.0,5.75,15,8,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,17.5,38.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2NbRhO4,V2NbRhO4,trimetallic_oxide,3,"Nb, O, Rh, V",-3.01,0.007,1.2,0.234,0.293,good,2,0.5,0.5,4,20.5,2.6125,105.0,11.0,3.25,2.25,3.44,1.6,1.84,146,73,73,45,8,2.28,1.6,0.6799999999999997,137.0,4.5,15,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.3,22.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNbAuO4,VNbAuO4,trimetallic_oxide,3,"Au, Nb, O, V",-2.62,0.166,1.54,0.267,0.336,good,2,0.5714285714285714,0.4285714285714286,4,25.0,2.79,102.28571428571428,12.142857142857142,3.2857142857142856,2.4285714285714284,3.44,1.6,1.84,146,73,73,79,8,2.54,1.6,0.94,141.33333333333331,5.666666666666666,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.3,31.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VNbAu2O4,VNbAu2O4,trimetallic_oxide,3,"Au, Nb, O, V",-3.45,0.019,0.53,0.291,0.31,good,2,0.5,0.5,4,31.75,2.75875,107.5,12.0,3.625,3.375,3.44,1.6,1.84,146,73,73,79,8,2.54,1.6,0.94,142.0,6.75,17,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.6,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2NbAuO4,V2NbAuO4,trimetallic_oxide,3,"Au, Nb, O, V",-3.42,0.545,1.35,0.234,0.25,excellent,3,0.5,0.5,4,24.75,2.645,106.25,11.25,3.375,2.5,3.44,1.6,1.84,146,73,73,79,8,2.54,1.6,0.94,139.5,5.0,17,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.8,43.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMoHfO4,VMoHfO4,trimetallic_oxide,3,"Hf, Mo, O, V",-2.09,0.072,0.74,0.506,0.352,good,2,0.5714285714285714,0.4285714285714286,4,24.142857142857142,2.6928571428571426,103.42857142857144,11.285714285714285,3.2857142857142856,1.4285714285714284,3.44,1.3,2.14,159,73,86,72,8,2.16,1.3,0.8600000000000001,144.0,3.333333333333333,10,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,45.3,34.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMoHf2O4,VMoHf2O4,trimetallic_oxide,3,"Hf, Mo, O, V",-3.81,0.046,0.93,0.258,0.24,excellent,3,0.5,0.5,4,30.125,2.51875,110.375,10.375,3.625,1.5,3.44,1.3,2.14,159,73,86,72,8,2.16,1.3,0.8600000000000001,147.75,3.0,10,5,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,19.7,46.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2MoHfO4,V2MoHfO4,trimetallic_oxide,3,"Hf, Mo, O, V",-3.09,0.095,0.61,0.24,0.306,good,2,0.5,0.5,4,24.0,2.56,107.25,10.5,3.375,1.625,3.44,1.3,2.14,159,73,86,72,8,2.16,1.3,0.8600000000000001,141.5,3.25,10,5,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.5,62.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMoBiO4,VMoBiO4,trimetallic_oxide,3,"Bi, Mo, O, V",-2.41,0.303,1.43,0.278,0.177,good,2,0.5714285714285714,0.4285714285714286,4,25.71428571428571,2.7957142857142854,101.14285714285714,12.857142857142856,3.2857142857142856,2.571428571428571,3.44,1.63,1.81,143,73,70,83,8,2.16,1.63,0.5300000000000002,138.66666666666666,5.999999999999999,18,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.1,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VMoBi2O4,VMoBi2O4,trimetallic_oxide,3,"Bi, Mo, O, V",-3.31,0.128,0.6,0.173,0.244,good,2,0.5,0.5,4,32.875,2.69875,106.375,13.125,3.625,3.5,3.44,1.63,1.81,143,73,70,83,8,2.16,1.63,0.5300000000000002,139.75,7.0,18,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,38.4,14.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2MoBiO4,V2MoBiO4,trimetallic_oxide,3,"Bi, Mo, O, V",-1.76,0.022,1.3,0.386,0.228,good,2,0.5,0.5,4,25.375,2.65,105.25,11.875,3.375,2.625,3.44,1.63,1.81,143,73,70,83,8,2.16,1.63,0.5300000000000002,137.5,5.25,18,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,37.5,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VRuOsO4,VRuOsO4,trimetallic_oxide,3,"O, Os, Ru, V",-2.35,0.297,1.53,0.217,0.301,good,2,0.5714285714285714,0.4285714285714286,4,25.0,2.827142857142857,99.28571428571428,12.142857142857142,3.2857142857142856,2.2857142857142856,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.33333333333331,5.333333333333333,16,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,43.5,38.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VRuOs2O4,VRuOs2O4,trimetallic_oxide,3,"O, Os, Ru, V",-3.06,0.193,1.62,0.307,0.195,excellent,3,0.5,0.5,4,31.375,2.74875,103.75,11.625,3.625,2.75,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.5,5.5,16,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,19.5,27.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2RuOsO4,V2RuOsO4,trimetallic_oxide,3,"O, Os, Ru, V",-3.1,0.065,1.15,0.384,0.297,good,2,0.5,0.5,4,24.75,2.6775,103.625,11.25,3.375,2.375,3.44,1.63,1.81,135,73,62,76,8,2.2,1.63,0.5700000000000003,134.25,4.75,16,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,31.9,55.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VRhAgO4,VRhAgO4,trimetallic_oxide,3,"Ag, O, Rh, V",-2.66,0.103,0.72,0.302,0.217,good,2,0.5714285714285714,0.4285714285714286,4,21.0,2.8,100.57142857142856,12.714285714285714,3.1428571428571423,3.0,3.44,1.63,1.81,144,73,71,47,8,2.28,1.63,0.6499999999999999,137.33333333333331,6.999999999999999,21,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,72.3,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VRhAg2O4,VRhAg2O4,trimetallic_oxide,3,"Ag, O, Rh, V",-2.87,0.455,1.3,0.352,0.38,good,2,0.5,0.5,4,24.25,2.69125,106.0,12.5,3.375,3.875,3.44,1.63,1.81,144,73,71,47,8,2.28,1.63,0.6499999999999999,139.0,7.75,21,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,53.7,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2RhAgO4,V2RhAgO4,trimetallic_oxide,3,"Ag, O, Rh, V",-3.25,0.017,0.26,0.481,0.227,good,2,0.5,0.5,4,21.25,2.65375,104.75,11.75,3.25,3.0,3.44,1.63,1.81,144,73,71,47,8,2.28,1.63,0.6499999999999999,136.5,6.0,21,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,30.3,51.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VRhSnO4,VRhSnO4,trimetallic_oxide,3,"O, Rh, Sn, V",-2.33,0.313,0.92,0.265,0.255,good,2,0.5714285714285714,0.4285714285714286,4,21.428571428571427,2.804285714285714,100.71428571428572,13.142857142857142,3.1428571428571423,3.0,3.44,1.63,1.81,145,73,72,50,8,2.28,1.63,0.6499999999999999,137.66666666666666,6.999999999999999,21,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,35.9,45.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VRhSn2O4,VRhSn2O4,trimetallic_oxide,3,"O, Rh, Sn, V",-3.1,0.06,0.65,0.342,0.238,good,2,0.5,0.5,4,25.0,2.69875,106.25,13.25,3.375,3.875,3.44,1.63,1.81,145,73,72,50,8,2.28,1.63,0.6499999999999999,139.5,7.75,21,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,46.0,33.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2RhSnO4,V2RhSnO4,trimetallic_oxide,3,"O, Rh, Sn, V",-3.56,0.112,1.47,0.337,0.26,excellent,3,0.5,0.5,4,21.625,2.6575,104.875,12.125,3.25,3.0,3.44,1.63,1.81,145,73,72,50,8,2.28,1.63,0.6499999999999999,136.75,6.0,21,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,44.3,20.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VPdIrO4,VPdIrO4,trimetallic_oxide,3,"Ir, O, Pd, V",-3.21,0.195,0.82,0.272,0.292,good,2,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.827142857142857,99.85714285714286,12.571428571428571,3.2857142857142856,2.8571428571428568,3.44,1.63,1.81,137,73,64,77,8,2.2,1.63,0.5700000000000003,135.66666666666666,6.666666666666665,20,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,49.0,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VPdIr2O4,VPdIr2O4,trimetallic_oxide,3,"Ir, O, Pd, V",-1.63,0.083,0.64,0.274,0.267,moderate,1,0.5,0.5,4,31.875,2.74875,104.375,12.125,3.625,3.375,3.44,1.63,1.81,137,73,64,77,8,2.2,1.63,0.5700000000000003,135.75,6.75,20,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.6,11.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2PdIrO4,V2PdIrO4,trimetallic_oxide,3,"Ir, O, Pd, V",-2.83,0.15,1.14,0.389,0.341,good,2,0.5,0.5,4,25.125,2.6775,104.125,11.625,3.375,2.875,3.44,1.63,1.81,137,73,64,77,8,2.2,1.63,0.5700000000000003,135.25,5.75,20,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,19.6,34.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VAgWO4,VAgWO4,trimetallic_oxide,3,"Ag, O, V, W",-3.19,0.041,1.04,0.259,0.225,good,2,0.5714285714285714,0.4285714285714286,4,25.142857142857142,2.8114285714285714,101.28571428571428,12.285714285714285,3.2857142857142856,2.4285714285714284,3.44,1.63,1.81,144,73,71,74,8,2.36,1.63,0.73,139.0,5.666666666666666,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.7,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VAgW2O4,VAgW2O4,trimetallic_oxide,3,"Ag, O, V, W",-3.24,0.095,0.84,0.388,0.219,good,2,0.5,0.5,4,31.25,2.755,106.0,11.5,3.625,2.625,3.44,1.63,1.81,144,73,71,74,8,2.36,1.63,0.73,139.0,5.25,17,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,32.3,58.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2AgWO4,V2AgWO4,trimetallic_oxide,3,"Ag, O, V, W",-2.3,0.015,0.93,0.418,0.219,good,2,0.5,0.5,4,24.875,2.66375,105.375,11.375,3.375,2.5,3.44,1.63,1.81,144,73,71,74,8,2.36,1.63,0.73,137.75,5.0,17,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,48.5,35.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VAgCeO4,VAgCeO4,trimetallic_oxide,3,"Ag, Ce, O, V",-2.87,0.195,1.31,0.174,0.174,good,2,0.5714285714285714,0.4285714285714286,4,22.85714285714285,2.634285714285714,107.42857142857144,11.857142857142856,3.2857142857142856,2.0,3.44,1.12,2.32,182,73,109,58,8,1.93,1.12,0.8099999999999998,153.33333333333331,4.666666666666666,14,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,True,True,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,72.8,12.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VAgCe2O4,VAgCe2O4,trimetallic_oxide,3,"Ag, Ce, O, V",-2.95,0.045,1.14,0.485,0.174,good,2,0.5,0.5,4,27.25,2.445,116.75,10.75,3.625,1.875,3.44,1.12,2.32,182,73,109,58,8,1.93,1.12,0.8099999999999998,160.5,3.75,14,10,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,True,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,49.9,43.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2AgCeO4,V2AgCeO4,trimetallic_oxide,3,"Ag, Ce, O, V",-2.39,0.364,1.03,0.296,0.32,good,2,0.5,0.5,4,22.875,2.50875,110.75,11.0,3.375,2.125,3.44,1.12,2.32,182,73,109,58,8,1.93,1.12,0.8099999999999998,148.5,4.25,14,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,47.3,40.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VHfBiO4,VHfBiO4,trimetallic_oxide,3,"Bi, Hf, O, V",-2.97,0.385,1.02,0.329,0.388,good,2,0.5714285714285714,0.4285714285714286,4,30.0,2.6728571428571426,104.0,12.571428571428571,3.4285714285714284,2.142857142857143,3.44,1.3,2.14,159,73,86,83,8,2.02,1.3,0.72,145.33333333333331,4.999999999999999,15,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.7,51.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VHfBi2O4,VHfBi2O4,trimetallic_oxide,3,"Bi, Hf, O, V",-2.95,0.071,1.07,0.409,0.168,good,2,0.5,0.5,4,36.625,2.59125,108.875,12.875,3.75,3.125,3.44,1.3,2.14,159,73,86,83,8,2.02,1.3,0.72,144.75,6.25,15,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,47.3,48.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2HfBiO4,V2HfBiO4,trimetallic_oxide,3,"Bi, Hf, O, V",-2.65,0.309,1.53,0.336,0.235,good,2,0.5,0.5,4,29.125,2.5425,107.75,11.625,3.5,2.25,3.44,1.3,2.14,159,73,86,83,8,2.02,1.3,0.72,142.5,4.5,15,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,31.0,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VTaSnO4,VTaSnO4,trimetallic_oxide,3,"O, Sn, Ta, V",-3.05,0.237,1.13,0.437,0.343,good,2,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.6928571428571426,102.42857142857144,12.571428571428571,3.2857142857142856,2.2857142857142856,3.44,1.5,1.94,146,73,73,73,8,1.96,1.5,0.4599999999999999,141.66666666666666,5.333333333333332,16,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,34.3,25.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VTaSn2O4,VTaSn2O4,trimetallic_oxide,3,"O, Sn, Ta, V",-2.24,0.127,1.77,0.224,0.299,good,2,0.5,0.5,4,28.5,2.60125,107.75,12.75,3.5,3.25,3.44,1.5,1.94,146,73,73,73,8,1.96,1.5,0.4599999999999999,142.5,6.5,16,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,53.7,19.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2TaSnO4,V2TaSnO4,trimetallic_oxide,3,"O, Sn, Ta, V",-2.38,0.054,1.47,0.267,0.358,good,2,0.5,0.5,4,25.125,2.56,106.375,11.625,3.375,2.375,3.44,1.5,1.94,146,73,73,73,8,1.96,1.5,0.4599999999999999,139.75,4.75,16,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,23.3,28.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VWSnO4,VWSnO4,trimetallic_oxide,3,"O, Sn, V, W",-2.25,0.033,1.04,0.312,0.183,good,2,0.5714285714285714,0.4285714285714286,4,25.57142857142857,2.8157142857142854,101.42857142857144,12.714285714285714,3.2857142857142856,2.4285714285714284,3.44,1.63,1.81,145,73,72,74,8,2.36,1.63,0.73,139.33333333333331,5.666666666666666,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,57.8,29.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VWSn2O4,VWSn2O4,trimetallic_oxide,3,"O, Sn, V, W",-3.4,0.106,1.01,0.199,0.379,excellent,3,0.5,0.5,4,28.625,2.70875,106.875,12.875,3.5,3.375,3.44,1.63,1.81,145,73,72,74,8,2.36,1.63,0.73,140.75,6.75,17,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,40.8,29.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2WSnO4,V2WSnO4,trimetallic_oxide,3,"O, Sn, V, W",-2.66,0.165,1.01,0.284,0.199,good,2,0.5,0.5,4,25.25,2.6675,105.5,11.75,3.375,2.5,3.44,1.63,1.81,145,73,72,74,8,2.36,1.63,0.73,138.0,5.0,17,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,19.8,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VReBiO4,VReBiO4,trimetallic_oxide,3,"Bi, O, Re, V",-3.09,0.139,0.82,0.351,0.298,good,2,0.5714285714285714,0.4285714285714286,4,30.428571428571427,2.7585714285714285,100.85714285714286,13.0,3.4285714285714284,2.571428571428571,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,137.99999999999997,5.999999999999999,18,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,63.3,39.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VReBi2O4,VReBi2O4,trimetallic_oxide,3,"Bi, O, Re, V",-3.47,0.174,0.82,0.24,0.276,excellent,3,0.5,0.5,4,37.0,2.66625,106.125,13.25,3.75,3.5,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,139.25,7.0,18,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,47.3,34.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2ReBiO4,V2ReBiO4,trimetallic_oxide,3,"Bi, O, Re, V",-3.19,0.0,0.33,0.282,0.2,good,2,0.5,0.5,4,29.5,2.6175,105.0,12.0,3.5,2.625,3.44,1.63,1.81,143,73,70,83,8,2.02,1.63,0.3900000000000001,137.0,5.25,18,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.2,19.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VOsCeO4,VOsCeO4,trimetallic_oxide,3,"Ce, O, Os, V",-2.6,0.053,0.59,0.309,0.355,good,2,0.5714285714285714,0.4285714285714286,4,27.0,2.6728571428571426,106.14285714285714,11.428571428571429,3.4285714285714284,1.4285714285714284,3.44,1.12,2.32,182,73,109,76,8,2.2,1.12,1.08,150.33333333333331,3.333333333333333,10,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.1428571428571428,True,False,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,36.6,31.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VOsCe2O4,VOsCe2O4,trimetallic_oxide,3,"Ce, O, Os, V",-2.58,0.08,1.3,0.411,0.358,good,2,0.5,0.5,4,30.875,2.47875,115.625,10.375,3.75,1.375,3.44,1.12,2.32,182,73,109,76,8,2.2,1.12,1.08,158.25,2.75,10,6,0.125,0.0,0.375,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,62.1,29.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2OsCeO4,V2OsCeO4,trimetallic_oxide,3,"Ce, O, Os, V",-3.03,0.152,0.85,0.449,0.382,good,2,0.5,0.5,4,26.5,2.5425,109.625,10.625,3.5,1.625,3.44,1.12,2.32,182,73,109,76,8,2.2,1.12,1.08,146.25,3.25,10,6,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,58.0,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VPtSnO4,VPtSnO4,trimetallic_oxide,3,"O, Pt, Sn, V",-2.47,0.008,0.94,0.243,0.3,good,2,0.5714285714285714,0.4285714285714286,4,26.142857142857142,2.804285714285714,101.42857142857144,13.285714285714285,3.2857142857142856,3.1428571428571423,3.44,1.63,1.81,145,73,72,78,8,2.28,1.63,0.6499999999999999,139.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,17.0,25.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VPtSn2O4,VPtSn2O4,trimetallic_oxide,3,"O, Pt, Sn, V",-2.87,0.491,1.04,0.298,0.286,good,2,0.5,0.5,4,29.125,2.69875,106.875,13.375,3.5,4.0,3.44,1.63,1.81,145,73,72,78,8,2.28,1.63,0.6499999999999999,140.75,8.0,22,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,True,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,57.3,15.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2PtSnO4,V2PtSnO4,trimetallic_oxide,3,"O, Pt, Sn, V",-3.46,0.044,1.1,0.237,0.347,excellent,3,0.5,0.5,4,25.75,2.6575,105.5,12.25,3.375,3.125,3.44,1.63,1.81,145,73,72,78,8,2.28,1.63,0.6499999999999999,138.0,6.25,22,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,33.1,10.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VAlBiO4,VAlBiO4,trimetallic_oxide,3,"Al, Bi, O, V",-2.68,0.295,1.22,0.375,0.271,good,2,0.5714285714285714,0.4285714285714286,4,21.57142857142857,2.717142857142857,98.14285714285714,13.857142857142856,3.0,1.857142857142857,3.44,1.61,1.83,143,73,70,83,8,2.02,1.61,0.4099999999999999,131.66666666666666,4.333333333333332,13,10,0.2857142857142857,0.0,0.1428571428571428,0.2857142857142857,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,56.6,9.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_VAlBi2O4,VAlBi2O4,trimetallic_oxide,3,"Al, Bi, O, V",-3.05,0.008,1.94,0.358,0.382,excellent,3,0.5,0.5,4,29.25,2.63,103.75,14.0,3.375,2.875,3.44,1.61,1.83,143,73,70,83,8,2.02,1.61,0.4099999999999999,134.5,5.75,13,10,0.25,0.0,0.25,0.375,0,0,0.0,True,False,True,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,63.0,26.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_V2AlBiO4,V2AlBiO4,trimetallic_oxide,3,"Al, Bi, O, V",-2.63,0.008,0.85,0.361,0.383,good,2,0.5,0.5,4,21.75,2.58125,102.625,12.75,3.125,2.0,3.44,1.61,1.83,143,73,70,83,8,2.02,1.61,0.4099999999999999,132.25,4.0,13,10,0.375,0.0,0.125,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,23.0,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMnCoO4,CrMnCoO4,trimetallic_oxide,3,"Co, Cr, Mn, O",-3.36,0.04,1.92,0.208,0.285,excellent,3,0.5714285714285714,0.4285714285714286,4,15.428571428571429,2.6928571428571426,96.0,12.285714285714285,2.8571428571428568,2.4285714285714284,3.44,1.55,1.89,128,73,55,27,8,1.88,1.55,0.3299999999999998,126.66666666666666,5.666666666666666,17,7,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,11.9,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMnCo2O4,CrMnCo2O4,trimetallic_oxide,3,"Co, Cr, Mn, O",-2.78,0.034,1.21,0.354,0.236,good,2,0.5,0.5,4,16.875,2.59125,99.625,11.875,3.0,3.0,3.44,1.55,1.89,128,73,55,27,8,1.88,1.55,0.3299999999999998,126.25,6.0,17,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.5,17.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2MnCoO4,Cr2MnCoO4,trimetallic_oxide,3,"Co, Cr, Mn, O",-3.07,0.535,0.81,0.284,0.326,good,2,0.5,0.5,4,16.5,2.56375,100.0,11.5,3.0,2.75,3.44,1.55,1.89,128,73,55,27,8,1.88,1.55,0.3299999999999998,127.0,5.5,17,7,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.5,5.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMnAgO4,CrMnAgO4,trimetallic_oxide,3,"Ag, Cr, Mn, O",-2.33,0.141,0.94,0.323,0.343,good,2,0.5714285714285714,0.4285714285714286,4,18.285714285714285,2.7,98.71428571428572,12.571428571428571,3.0,2.8571428571428568,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,133.0,6.666666666666665,20,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,11.3,38.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMnAg2O4,CrMnAg2O4,trimetallic_oxide,3,"Ag, Cr, Mn, O",-3.34,0.121,0.71,0.473,0.296,good,2,0.5,0.5,4,21.875,2.60375,104.375,12.375,3.25,3.75,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,135.75,7.5,20,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,36.9,19.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2MnAgO4,Cr2MnAgO4,trimetallic_oxide,3,"Ag, Cr, Mn, O",-2.04,0.014,1.27,0.32,0.333,good,2,0.5,0.5,4,19.0,2.57,102.375,11.75,3.125,3.125,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,131.75,6.25,20,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,51.3,10.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMnSnO4,CrMnSnO4,trimetallic_oxide,3,"Cr, Mn, O, Sn",-2.81,0.066,0.58,0.383,0.171,good,2,0.5714285714285714,0.4285714285714286,4,18.71428571428571,2.704285714285714,98.85714285714286,13.0,3.0,2.8571428571428568,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,133.33333333333331,6.666666666666665,20,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.8,6.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMnSn2O4,CrMnSn2O4,trimetallic_oxide,3,"Cr, Mn, O, Sn",-3.03,0.021,0.88,0.363,0.301,good,2,0.5,0.5,4,22.625,2.61125,104.625,13.125,3.25,3.75,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,136.25,7.5,20,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.4,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2MnSnO4,Cr2MnSnO4,trimetallic_oxide,3,"Cr, Mn, O, Sn",-3.04,0.071,1.16,0.378,0.324,good,2,0.5,0.5,4,19.375,2.57375,102.5,12.125,3.125,3.125,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,132.0,6.25,20,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,39.7,42.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrFeMoO4,CrFeMoO4,trimetallic_oxide,3,"Cr, Fe, Mo, O",-3.6,0.009,1.47,0.333,0.287,excellent,3,0.5714285714285714,0.4285714285714286,4,17.714285714285715,2.7728571428571427,97.85714285714286,12.0,3.0,2.2857142857142856,3.44,1.66,1.78,139,73,66,42,8,2.16,1.66,0.5000000000000002,131.0,5.333333333333332,16,6,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,61.9,54.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrFeMo2O4,CrFeMo2O4,trimetallic_oxide,3,"Cr, Fe, Mo, O",-2.69,0.09,0.71,0.307,0.252,good,2,0.5,0.5,4,20.75,2.69625,103.0,11.25,3.25,2.625,3.44,1.66,1.78,139,73,66,42,8,2.16,1.66,0.5000000000000002,133.0,5.25,16,6,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,64.9,17.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2FeMoO4,Cr2FeMoO4,trimetallic_oxide,3,"Cr, Fe, Mo, O",-2.48,0.076,1.31,0.337,0.372,good,2,0.5,0.5,4,18.5,2.63375,101.625,11.25,3.125,2.625,3.44,1.66,1.78,139,73,66,42,8,2.16,1.66,0.5000000000000002,130.25,5.25,16,6,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,55.2,25.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrFeIrO4,CrFeIrO4,trimetallic_oxide,3,"Cr, Fe, Ir, O",-2.55,0.146,1.2,0.281,0.295,good,2,0.5714285714285714,0.4285714285714286,4,22.714285714285715,2.7785714285714285,97.42857142857144,12.428571428571429,3.142857142857143,2.571428571428571,3.44,1.66,1.78,136,73,63,77,8,2.2,1.66,0.5400000000000003,130.0,5.999999999999999,18,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,55.9,6.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrFeIr2O4,CrFeIr2O4,trimetallic_oxide,3,"Cr, Fe, Ir, O",-2.73,0.012,1.62,0.346,0.199,good,2,0.5,0.5,4,29.5,2.70625,102.25,12.0,3.5,3.125,3.44,1.66,1.78,136,73,63,77,8,2.2,1.66,0.5400000000000003,131.5,6.25,18,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,70.0,44.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2FeIrO4,Cr2FeIrO4,trimetallic_oxide,3,"Cr, Fe, Ir, O",-2.99,0.031,1.37,0.282,0.333,good,2,0.5,0.5,4,22.875,2.63875,101.25,11.625,3.25,2.875,3.44,1.66,1.78,136,73,63,77,8,2.2,1.66,0.5400000000000003,129.5,5.75,18,7,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,57.3,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCoZnO4,CrCoZnO4,trimetallic_oxide,3,"Co, Cr, O, Zn",-3.35,0.083,1.01,0.296,0.192,excellent,3,0.5714285714285714,0.4285714285714286,4,16.142857142857142,2.707142857142857,97.0,13.0,2.8571428571428568,3.1428571428571423,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,129.0,7.333333333333332,22,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.5,45.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCoZn2O4,CrCoZn2O4,trimetallic_oxide,3,"Co, Cr, O, Zn",-2.72,0.245,0.94,0.406,0.263,good,2,0.5,0.5,4,17.875,2.575,101.625,12.875,3.0,4.0,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,130.25,8.0,22,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,32.5,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2CoZnO4,Cr2CoZnO4,trimetallic_oxide,3,"Co, Cr, O, Zn",-2.15,0.028,0.79,0.332,0.273,good,2,0.5,0.5,4,17.125,2.57625,100.875,12.125,3.0,3.375,3.44,1.65,1.79,134,73,61,30,8,1.88,1.65,0.2299999999999999,128.75,6.75,22,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,66.3,52.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCoWO4,CrCoWO4,trimetallic_oxide,3,"Co, Cr, O, W",-2.8,0.005,0.64,0.324,0.305,good,2,0.5714285714285714,0.4285714285714286,4,22.428571428571427,2.8085714285714283,97.71428571428572,12.142857142857142,3.142857142857143,2.2857142857142856,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,130.66666666666666,5.333333333333332,16,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.8,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCoW2O4,CrCoW2O4,trimetallic_oxide,3,"Co, Cr, O, W",-2.63,0.306,1.02,0.419,0.207,good,2,0.5,0.5,4,28.875,2.7525,102.875,11.375,3.5,2.5,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,132.75,5.0,16,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,15.8,37.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2CoWO4,Cr2CoWO4,trimetallic_oxide,3,"Co, Cr, O, W",-3.02,0.138,1.27,0.321,0.247,good,2,0.5,0.5,4,22.625,2.665,101.5,11.375,3.25,2.625,3.44,1.66,1.78,139,73,66,74,8,2.36,1.66,0.7,130.0,5.25,16,7,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,13.3,16.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCoCeO4,CrCoCeO4,trimetallic_oxide,3,"Ce, Co, Cr, O",-2.9,0.451,1.36,0.279,0.389,good,2,0.5714285714285714,0.4285714285714286,4,20.142857142857142,2.6314285714285712,103.85714285714286,11.714285714285714,3.142857142857143,1.857142857142857,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,145.0,4.333333333333333,13,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,66.2,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCoCe2O4,CrCoCe2O4,trimetallic_oxide,3,"Ce, Co, Cr, O",-2.42,0.048,1.26,0.355,0.21,good,2,0.5,0.5,4,24.875,2.4425,113.625,10.625,3.5,1.75,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,154.25,3.5,13,7,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,13.8,25.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2CoCeO4,Cr2CoCeO4,trimetallic_oxide,3,"Ce, Co, Cr, O",-2.85,0.324,1.32,0.298,0.291,good,2,0.5,0.5,4,20.625,2.51,106.875,11.0,3.25,2.25,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,140.75,4.5,13,7,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,28.3,30.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNiHfO4,CrNiHfO4,trimetallic_oxide,3,"Cr, Hf, Ni, O",-2.25,0.012,1.31,0.294,0.347,good,2,0.5714285714285714,0.4285714285714286,4,22.285714285714285,2.661428571428571,100.42857142857142,12.0,3.142857142857143,2.142857142857143,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,136.99999999999997,4.999999999999999,15,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,34.1,23.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNiHf2O4,CrNiHf2O4,trimetallic_oxide,3,"Cr, Hf, Ni, O",-3.06,0.041,0.83,0.36,0.387,good,2,0.5,0.5,4,28.5,2.49125,107.75,11.0,3.5,2.125,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,142.5,4.25,15,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2NiHfO4,Cr2NiHfO4,trimetallic_oxide,3,"Cr, Hf, Ni, O",-3.12,0.004,1.36,0.289,0.345,excellent,3,0.5,0.5,4,22.5,2.53625,103.875,11.25,3.25,2.5,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,134.75,5.0,15,8,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.2,10.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNiBiO4,CrNiBiO4,trimetallic_oxide,3,"Bi, Cr, Ni, O",-3.05,0.114,0.91,0.34,0.249,good,2,0.5714285714285714,0.4285714285714286,4,23.85714285714285,2.7642857142857142,98.14285714285714,13.571428571428571,3.142857142857143,3.2857142857142856,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,131.66666666666663,7.666666666666665,23,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,13.0,33.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNiBi2O4,CrNiBi2O4,trimetallic_oxide,3,"Bi, Cr, Ni, O",-3.46,0.0,1.07,0.319,0.265,excellent,3,0.5,0.5,4,31.25,2.67125,103.75,13.75,3.5,4.125,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,134.5,8.25,23,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,34.2,50.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2NiBiO4,Cr2NiBiO4,trimetallic_oxide,3,"Bi, Cr, Ni, O",-2.62,0.033,1.58,0.301,0.347,good,2,0.5,0.5,4,23.875,2.62625,101.875,12.625,3.25,3.5,3.44,1.66,1.78,143,73,70,83,8,2.02,1.66,0.3600000000000001,130.75,7.0,23,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,32.2,40.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCuAgO4,CrCuAgO4,trimetallic_oxide,3,"Ag, Cr, Cu, O",-2.56,0.004,1.35,0.321,0.221,good,2,0.5714285714285714,0.4285714285714286,4,18.85714285714285,2.75,98.85714285714286,13.142857142857142,3.0,3.571428571428571,3.44,1.66,1.78,144,73,71,47,8,1.93,1.66,0.27,133.33333333333331,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.4,26.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCuAg2O4,CrCuAg2O4,trimetallic_oxide,3,"Ag, Cr, Cu, O",-2.13,0.083,1.03,0.392,0.189,good,2,0.5,0.5,4,22.375,2.6475,104.5,12.875,3.25,4.375,3.44,1.66,1.78,144,73,71,47,8,1.93,1.66,0.27,136.0,8.75,25,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,20.2,34.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2CuAgO4,Cr2CuAgO4,trimetallic_oxide,3,"Ag, Cr, Cu, O",-2.78,0.112,1.1,0.287,0.19,good,2,0.5,0.5,4,19.5,2.61375,102.5,12.25,3.125,3.75,3.44,1.66,1.78,144,73,71,47,8,1.93,1.66,0.27,132.0,7.5,25,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.7,54.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCuSnO4,CrCuSnO4,trimetallic_oxide,3,"Cr, Cu, O, Sn",-2.59,0.297,1.31,0.381,0.169,good,2,0.5714285714285714,0.4285714285714286,4,19.285714285714285,2.754285714285714,99.0,13.571428571428571,3.0,3.571428571428571,3.44,1.66,1.78,145,73,72,50,8,1.96,1.66,0.3,133.66666666666666,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,31.0,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrCuSn2O4,CrCuSn2O4,trimetallic_oxide,3,"Cr, Cu, O, Sn",-2.91,0.145,1.06,0.258,0.314,good,2,0.5,0.5,4,23.125,2.655,104.75,13.625,3.25,4.375,3.44,1.66,1.78,145,73,72,50,8,1.96,1.66,0.3,136.5,8.75,25,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.6,23.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2CuSnO4,Cr2CuSnO4,trimetallic_oxide,3,"Cr, Cu, O, Sn",-3.59,0.033,1.28,0.369,0.15,excellent,3,0.5,0.5,4,19.875,2.6175,102.625,12.625,3.125,3.75,3.44,1.66,1.78,145,73,72,50,8,1.96,1.66,0.3,132.25,7.5,25,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,21.5,40.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZnAgO4,CrZnAgO4,trimetallic_oxide,3,"Ag, Cr, O, Zn",-3.17,0.005,1.13,0.243,0.339,good,2,0.5714285714285714,0.4285714285714286,4,19.0,2.714285714285714,99.71428571428572,13.285714285714285,3.0,3.571428571428571,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,135.33333333333331,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.4,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZnAg2O4,CrZnAg2O4,trimetallic_oxide,3,"Ag, Cr, O, Zn",-3.23,0.013,1.05,0.294,0.232,excellent,3,0.5,0.5,4,22.5,2.61625,105.25,13.0,3.25,4.375,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,137.5,8.75,25,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.7,46.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2ZnAgO4,Cr2ZnAgO4,trimetallic_oxide,3,"Ag, Cr, O, Zn",-2.82,0.002,1.15,0.405,0.314,good,2,0.5,0.5,4,19.625,2.5825,103.25,12.375,3.125,3.75,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,133.5,7.5,25,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.6,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZnSnO4,CrZnSnO4,trimetallic_oxide,3,"Cr, O, Sn, Zn",-2.01,0.331,0.97,0.344,0.256,good,2,0.5714285714285714,0.4285714285714286,4,19.428571428571427,2.7185714285714284,99.85714285714286,13.714285714285714,3.0,3.571428571428571,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,135.66666666666666,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.4,33.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZnSn2O4,CrZnSn2O4,trimetallic_oxide,3,"Cr, O, Sn, Zn",-3.21,0.155,1.35,0.379,0.187,excellent,3,0.5,0.5,4,23.25,2.62375,105.5,13.75,3.25,4.375,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,138.0,8.75,25,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.3,7.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2ZnSnO4,Cr2ZnSnO4,trimetallic_oxide,3,"Cr, O, Sn, Zn",-2.89,0.042,0.92,0.502,0.322,good,2,0.5,0.5,4,20.0,2.58625,103.375,12.75,3.125,3.75,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,133.75,7.5,25,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,56.9,71.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZrHfO4,CrZrHfO4,trimetallic_oxide,3,"Cr, Hf, O, Zr",-3.24,0.047,1.26,0.136,0.36,excellent,3,0.5714285714285714,0.4285714285714286,4,24.0,2.5785714285714283,105.57142857142856,11.142857142857142,3.2857142857142856,1.2857142857142856,3.44,1.3,2.14,160,73,87,72,8,1.66,1.3,0.3599999999999999,148.99999999999997,3.0,9,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.6,38.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZrHf2O4,CrZrHf2O4,trimetallic_oxide,3,"Cr, Hf, O, Zr",-3.05,0.258,1.03,0.406,0.417,good,2,0.5,0.5,4,30.0,2.41875,112.25,10.25,3.625,1.375,3.44,1.3,2.14,160,73,87,72,8,1.66,1.3,0.3599999999999999,151.5,2.75,9,5,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,26.5,15.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2ZrHfO4,Cr2ZrHfO4,trimetallic_oxide,3,"Cr, Hf, O, Zr",-3.09,0.033,0.9,0.327,0.386,good,2,0.5,0.5,4,24.0,2.46375,108.375,10.5,3.375,1.75,3.44,1.3,2.14,160,73,87,72,8,1.66,1.3,0.3599999999999999,143.75,3.5,9,5,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.6,6.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZrBiO4,CrZrBiO4,trimetallic_oxide,3,"Bi, Cr, O, Zr",-2.69,0.03,1.38,0.398,0.269,good,2,0.5714285714285714,0.4285714285714286,4,25.57142857142857,2.681428571428571,103.28571428571428,12.714285714285714,3.2857142857142856,2.4285714285714284,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,143.66666666666663,5.666666666666665,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,38.0,34.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrZrBi2O4,CrZrBi2O4,trimetallic_oxide,3,"Bi, Cr, O, Zr",-3.18,0.024,0.87,0.153,0.355,good,2,0.5,0.5,4,32.75,2.59875,108.25,13.0,3.625,3.375,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,143.5,6.75,17,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,26.8,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2ZrBiO4,Cr2ZrBiO4,trimetallic_oxide,3,"Bi, Cr, O, Zr",-2.52,0.195,1.19,0.357,0.389,good,2,0.5,0.5,4,25.375,2.55375,106.375,11.875,3.375,2.75,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,139.75,5.5,17,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.1,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNbWO4,CrNbWO4,trimetallic_oxide,3,"Cr, Nb, O, W",-3.17,0.017,1.11,0.406,0.216,good,2,0.5714285714285714,0.4285714285714286,4,24.428571428571427,2.768571428571428,100.71428571428572,11.571428571428571,3.2857142857142856,1.857142857142857,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,137.66666666666666,4.333333333333333,13,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.2,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNbW2O4,CrNbW2O4,trimetallic_oxide,3,"Cr, Nb, O, W",-2.9,0.171,0.91,0.351,0.258,good,2,0.5,0.5,4,30.625,2.7175,105.5,10.875,3.625,2.125,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,138.0,4.25,13,5,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,17.4,16.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2NbWO4,Cr2NbWO4,trimetallic_oxide,3,"Cr, Nb, O, W",-2.61,0.222,0.57,0.403,0.258,good,2,0.5,0.5,4,24.375,2.63,104.125,10.875,3.375,2.25,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,135.25,4.5,13,5,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,40.1,54.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNbCeO4,CrNbCeO4,trimetallic_oxide,3,"Ce, Cr, Nb, O",-3.01,0.045,1.26,0.423,0.292,good,2,0.5714285714285714,0.4285714285714286,4,22.142857142857142,2.591428571428571,106.85714285714286,11.142857142857142,3.2857142857142856,1.4285714285714284,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,152.0,3.333333333333333,10,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,39.2,60.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrNbCe2O4,CrNbCe2O4,trimetallic_oxide,3,"Ce, Cr, Nb, O",-2.87,0.013,1.57,0.326,0.29,good,2,0.5,0.5,4,26.625,2.4075,116.25,10.125,3.625,1.375,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,159.5,2.75,10,5,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,False,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,42.0,41.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2NbCeO4,Cr2NbCeO4,trimetallic_oxide,3,"Ce, Cr, Nb, O",-2.35,0.145,1.37,0.217,0.336,good,2,0.5,0.5,4,22.375,2.475,109.5,10.5,3.375,1.875,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,146.0,3.75,10,5,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,54.7,41.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMoIrO4,CrMoIrO4,trimetallic_oxide,3,"Cr, Ir, Mo, O",-3.3,0.307,1.16,0.225,0.23,excellent,3,0.5714285714285714,0.4285714285714286,4,25.0,2.8257142857142856,99.28571428571428,12.142857142857142,3.2857142857142856,2.4285714285714284,3.44,1.66,1.78,139,73,66,77,8,2.2,1.66,0.5400000000000003,134.33333333333331,5.666666666666666,17,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,39.0,21.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrMoIr2O4,CrMoIr2O4,trimetallic_oxide,3,"Cr, Ir, Mo, O",-3.37,0.111,1.59,0.273,0.32,excellent,3,0.5,0.5,4,31.5,2.7475,103.875,11.75,3.625,3.0,3.44,1.66,1.78,139,73,66,77,8,2.2,1.66,0.5400000000000003,134.75,6.0,17,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,20.6,7.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2MoIrO4,Cr2MoIrO4,trimetallic_oxide,3,"Cr, Ir, Mo, O",-2.96,0.084,0.77,0.237,0.342,good,2,0.5,0.5,4,24.875,2.68,102.875,11.375,3.375,2.75,3.44,1.66,1.78,139,73,66,77,8,2.2,1.66,0.5400000000000003,132.75,5.5,17,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.3,42.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrRuAgO4,CrRuAgO4,trimetallic_oxide,3,"Ag, Cr, O, Ru",-2.65,0.113,1.16,0.453,0.283,good,2,0.5714285714285714,0.4285714285714286,4,21.0,2.7928571428571427,99.71428571428572,12.714285714285714,3.1428571428571423,3.1428571428571423,3.44,1.66,1.78,144,73,71,47,8,2.2,1.66,0.5400000000000003,135.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.5,46.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrRuAg2O4,CrRuAg2O4,trimetallic_oxide,3,"Ag, Cr, O, Ru",-2.92,0.148,0.5,0.312,0.244,good,2,0.5,0.5,4,24.25,2.685,105.25,12.5,3.375,4.0,3.44,1.66,1.78,144,73,71,47,8,2.2,1.66,0.5400000000000003,137.5,8.0,22,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.3,25.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2RuAgO4,Cr2RuAgO4,trimetallic_oxide,3,"Ag, Cr, O, Ru",-2.66,0.189,0.53,0.423,0.298,good,2,0.5,0.5,4,21.375,2.65125,103.25,11.875,3.25,3.375,3.44,1.66,1.78,144,73,71,47,8,2.2,1.66,0.5400000000000003,133.5,6.75,22,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,63.6,5.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrRuSnO4,CrRuSnO4,trimetallic_oxide,3,"Cr, O, Ru, Sn",-2.52,0.218,1.07,0.163,0.17,good,2,0.5714285714285714,0.4285714285714286,4,21.428571428571427,2.7971428571428567,99.85714285714286,13.142857142857142,3.1428571428571423,3.1428571428571423,3.44,1.66,1.78,145,73,72,50,8,2.2,1.66,0.5400000000000003,135.66666666666666,7.333333333333332,22,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.2,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrRuSn2O4,CrRuSn2O4,trimetallic_oxide,3,"Cr, O, Ru, Sn",-3.29,0.05,0.82,0.277,0.167,good,2,0.5,0.5,4,25.0,2.6925,105.5,13.25,3.375,4.0,3.44,1.66,1.78,145,73,72,50,8,2.2,1.66,0.5400000000000003,138.0,8.0,22,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,23.6,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2RuSnO4,Cr2RuSnO4,trimetallic_oxide,3,"Cr, O, Ru, Sn",-3.17,0.04,0.39,0.319,0.339,good,2,0.5,0.5,4,21.75,2.655,103.375,12.25,3.25,3.375,3.44,1.66,1.78,145,73,72,50,8,2.2,1.66,0.5400000000000003,133.75,6.75,22,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,56.3,34.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrRhOsO4,CrRhOsO4,trimetallic_oxide,3,"Cr, O, Os, Rh",-3.55,0.042,1.13,0.217,0.25,excellent,3,0.5714285714285714,0.4285714285714286,4,25.285714285714285,2.8428571428571425,98.42857142857144,12.428571428571429,3.2857142857142856,2.714285714285714,3.44,1.66,1.78,135,73,62,76,8,2.28,1.66,0.6199999999999999,132.33333333333331,6.333333333333332,19,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.5,28.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrRhOs2O4,CrRhOs2O4,trimetallic_oxide,3,"Cr, O, Os, Rh",-2.85,0.032,1.57,0.242,0.286,good,2,0.5,0.5,4,31.625,2.7625,103.0,11.875,3.625,3.125,3.44,1.66,1.78,135,73,62,76,8,2.28,1.66,0.6199999999999999,133.0,6.25,19,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,48.7,20.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2RhOsO4,Cr2RhOsO4,trimetallic_oxide,3,"Cr, O, Os, Rh",-2.51,0.021,1.58,0.326,0.208,good,2,0.5,0.5,4,25.125,2.695,102.125,11.625,3.375,3.0,3.44,1.66,1.78,135,73,62,76,8,2.28,1.66,0.6199999999999999,131.25,6.0,19,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,16.4,46.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrPdHfO4,CrPdHfO4,trimetallic_oxide,3,"Cr, Hf, O, Pd",-2.25,0.04,1.56,0.13,0.201,good,2,0.5714285714285714,0.4285714285714286,4,24.85714285714285,2.702857142857143,102.28571428571428,12.0,3.2857142857142856,2.4285714285714284,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,141.33333333333331,5.666666666666665,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,31.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrPdHf2O4,CrPdHf2O4,trimetallic_oxide,3,"Cr, Hf, O, Pd",-2.65,0.202,1.04,0.308,0.197,good,2,0.5,0.5,4,30.75,2.5275,109.375,11.0,3.625,2.375,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,145.75,4.75,17,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,5.1,51.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2PdHfO4,Cr2PdHfO4,trimetallic_oxide,3,"Cr, Hf, O, Pd",-2.05,0.049,1.12,0.381,0.404,good,2,0.5,0.5,4,24.75,2.5725,105.5,11.25,3.375,2.75,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,138.0,5.5,17,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,60.5,8.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrPdBiO4,CrPdBiO4,trimetallic_oxide,3,"Bi, Cr, O, Pd",-3.19,0.364,0.79,0.265,0.332,good,2,0.5714285714285714,0.4285714285714286,4,26.428571428571427,2.8057142857142856,100.0,13.571428571428571,3.2857142857142856,3.571428571428571,3.44,1.66,1.78,143,73,70,83,8,2.2,1.66,0.5400000000000003,135.99999999999997,8.333333333333332,25,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.0,10.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrPdBi2O4,CrPdBi2O4,trimetallic_oxide,3,"Bi, Cr, O, Pd",-2.16,0.016,0.91,0.187,0.174,good,2,0.5,0.5,4,33.5,2.7075,105.375,13.75,3.625,4.375,3.44,1.66,1.78,143,73,70,83,8,2.2,1.66,0.5400000000000003,137.75,8.75,25,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,11.4,15.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2PdBiO4,Cr2PdBiO4,trimetallic_oxide,3,"Bi, Cr, O, Pd",-3.01,0.038,0.59,0.448,0.295,good,2,0.5,0.5,4,26.125,2.6625,103.5,12.625,3.375,3.75,3.44,1.66,1.78,143,73,70,83,8,2.2,1.66,0.5400000000000003,134.0,7.5,25,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,57.4,42.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrAgAuO4,CrAgAuO4,trimetallic_oxide,3,"Ag, Au, Cr, O",-2.32,0.111,0.93,0.378,0.248,good,2,0.5714285714285714,0.4285714285714286,4,26.0,2.841428571428571,101.14285714285714,13.142857142857142,3.2857142857142856,3.571428571428571,3.44,1.66,1.78,144,73,71,79,8,2.54,1.66,0.8800000000000001,138.66666666666666,8.333333333333332,25,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.7,52.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrAgAu2O4,CrAgAu2O4,trimetallic_oxide,3,"Ag, Au, Cr, O",-3.02,0.212,0.85,0.328,0.351,good,2,0.5,0.5,4,32.625,2.80375,106.5,12.875,3.625,4.375,3.44,1.66,1.78,144,73,71,79,8,2.54,1.66,0.8800000000000001,140.0,8.75,25,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.1,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2AgAuO4,Cr2AgAuO4,trimetallic_oxide,3,"Ag, Au, Cr, O",-4.12,0.446,1.23,0.374,0.245,excellent,3,0.5,0.5,4,25.75,2.69375,104.5,12.25,3.375,3.75,3.44,1.66,1.78,144,73,71,79,8,2.54,1.66,0.8800000000000001,136.0,7.5,25,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,63.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrHfIrO4,CrHfIrO4,trimetallic_oxide,3,"Cr, Hf, Ir, O",-2.74,0.03,0.94,0.377,0.382,good,2,0.5714285714285714,0.4285714285714286,4,29.285714285714285,2.702857142857143,102.14285714285714,11.857142857142856,3.4285714285714284,2.0,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,141.0,4.666666666666666,14,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,55.7,12.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrHfIr2O4,CrHfIr2O4,trimetallic_oxide,3,"Cr, Hf, Ir, O",-3.35,0.072,0.49,0.191,0.395,good,2,0.5,0.5,4,35.25,2.64,106.375,11.5,3.75,2.625,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,139.75,5.25,14,7,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2HfIrO4,Cr2HfIrO4,trimetallic_oxide,3,"Cr, Hf, Ir, O",-2.83,0.126,1.13,0.374,0.364,good,2,0.5,0.5,4,28.625,2.5725,105.375,11.125,3.5,2.375,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,137.75,4.75,14,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,69.0,41.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrTaOsO4,CrTaOsO4,trimetallic_oxide,3,"Cr, O, Os, Ta",-2.45,0.024,1.0,0.316,0.283,good,2,0.5714285714285714,0.4285714285714286,4,29.285714285714285,2.7314285714285718,100.14285714285714,11.857142857142856,3.4285714285714284,2.0,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,136.33333333333331,4.666666666666666,14,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.7,31.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrTaOs2O4,CrTaOs2O4,trimetallic_oxide,3,"Cr, O, Os, Ta",-2.11,0.024,1.63,0.303,0.346,good,2,0.5,0.5,4,35.125,2.665,104.5,11.375,3.75,2.5,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,136.0,5.0,14,6,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.2,34.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2TaOsO4,Cr2TaOsO4,trimetallic_oxide,3,"Cr, O, Os, Ta",-3.03,0.159,1.0,0.261,0.349,good,2,0.5,0.5,4,28.625,2.5975,103.625,11.125,3.5,2.375,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,134.25,4.75,14,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,67.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrWOsO4,CrWOsO4,trimetallic_oxide,3,"Cr, O, Os, W",-3.36,0.264,1.28,0.338,0.321,excellent,3,0.5714285714285714,0.4285714285714286,4,29.428571428571427,2.854285714285714,99.14285714285714,12.0,3.4285714285714284,2.142857142857143,3.44,1.66,1.78,139,73,66,76,8,2.36,1.66,0.7,134.0,4.999999999999999,15,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,80.7,32.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrWOs2O4,CrWOs2O4,trimetallic_oxide,3,"Cr, O, Os, W",-3.0,0.047,1.09,0.33,0.17,good,2,0.5,0.5,4,35.25,2.7725,103.625,11.5,3.75,2.625,3.44,1.66,1.78,139,73,66,76,8,2.36,1.66,0.7,134.25,5.25,15,6,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.6,26.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2WOsO4,Cr2WOsO4,trimetallic_oxide,3,"Cr, O, Os, W",-2.55,0.54,0.82,0.329,0.294,good,2,0.5,0.5,4,28.75,2.705,102.75,11.25,3.5,2.5,3.44,1.66,1.78,139,73,66,76,8,2.36,1.66,0.7,132.5,5.0,15,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,65.8,5.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrReIrO4,CrReIrO4,trimetallic_oxide,3,"Cr, Ir, O, Re",-2.64,0.079,1.63,0.268,0.276,good,2,0.5714285714285714,0.4285714285714286,4,29.71428571428571,2.7885714285714283,99.0,12.285714285714285,3.4285714285714284,2.4285714285714284,3.44,1.66,1.78,137,73,64,77,8,2.2,1.66,0.5400000000000003,133.66666666666666,5.666666666666666,17,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,72.0,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrReIr2O4,CrReIr2O4,trimetallic_oxide,3,"Cr, Ir, O, Re",-3.66,0.06,0.86,0.339,0.351,excellent,3,0.5,0.5,4,35.625,2.715,103.625,11.875,3.75,3.0,3.44,1.66,1.78,137,73,64,77,8,2.2,1.66,0.5400000000000003,134.25,6.0,17,7,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.2,25.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2ReIrO4,Cr2ReIrO4,trimetallic_oxide,3,"Cr, Ir, O, Re",-3.26,0.235,0.82,0.266,0.225,good,2,0.5,0.5,4,29.0,2.6475,102.625,11.5,3.5,2.75,3.44,1.66,1.78,137,73,64,77,8,2.2,1.66,0.5400000000000003,132.25,5.5,17,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.8,38.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrOsAuO4,CrOsAuO4,trimetallic_oxide,3,"Au, Cr, O, Os",-2.93,0.058,1.0,0.281,0.197,good,2,0.5714285714285714,0.4285714285714286,4,30.14285714285714,2.88,99.85714285714286,12.714285714285714,3.4285714285714284,3.0,3.44,1.66,1.78,144,73,71,79,8,2.54,1.66,0.8800000000000001,135.66666666666666,6.999999999999998,21,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.8,27.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrOsAu2O4,CrOsAu2O4,trimetallic_oxide,3,"Au, Cr, O, Os",-3.55,0.1,1.01,0.361,0.216,excellent,3,0.5,0.5,4,36.25,2.8375,105.375,12.5,3.75,3.875,3.44,1.66,1.78,144,73,71,79,8,2.54,1.66,0.8800000000000001,137.75,7.75,21,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,44.4,14.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2OsAuO4,Cr2OsAuO4,trimetallic_oxide,3,"Au, Cr, O, Os",-2.89,0.291,0.75,0.283,0.321,good,2,0.5,0.5,4,29.375,2.7275,103.375,11.875,3.5,3.25,3.44,1.66,1.78,144,73,71,79,8,2.54,1.66,0.8800000000000001,133.75,6.5,21,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,55.7,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrIrBiO4,CrIrBiO4,trimetallic_oxide,3,"Bi, Cr, Ir, O",-3.06,0.005,1.56,0.307,0.239,excellent,3,0.5714285714285714,0.4285714285714286,4,30.85714285714285,2.8057142857142856,99.85714285714286,13.428571428571429,3.4285714285714284,3.1428571428571423,3.44,1.66,1.78,143,73,70,83,8,2.2,1.66,0.5400000000000003,135.66666666666666,7.333333333333332,22,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.6,50.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrIrBi2O4,CrIrBi2O4,trimetallic_oxide,3,"Bi, Cr, Ir, O",-3.2,0.283,1.41,0.138,0.371,excellent,3,0.5,0.5,4,37.375,2.7075,105.25,13.625,3.75,4.0,3.44,1.66,1.78,143,73,70,83,8,2.2,1.66,0.5400000000000003,137.5,8.0,22,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,40.0,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2IrBiO4,Cr2IrBiO4,trimetallic_oxide,3,"Bi, Cr, Ir, O",-3.59,0.411,0.4,0.242,0.343,excellent,3,0.5,0.5,4,30.0,2.6625,103.375,12.5,3.5,3.375,3.44,1.66,1.78,143,73,70,83,8,2.2,1.66,0.5400000000000003,133.75,6.75,22,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,45.5,24.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrAuSnO4,CrAuSnO4,trimetallic_oxide,3,"Au, Cr, O, Sn",-3.52,0.075,0.59,0.397,0.228,excellent,3,0.5714285714285714,0.4285714285714286,4,26.428571428571427,2.8457142857142856,101.28571428571428,13.571428571428571,3.2857142857142856,3.571428571428571,3.44,1.66,1.78,145,73,72,79,8,2.54,1.66,0.8800000000000001,138.99999999999997,8.333333333333332,25,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,40.2,27.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrAuSn2O4,CrAuSn2O4,trimetallic_oxide,3,"Au, Cr, O, Sn",-2.46,0.078,0.49,0.172,0.215,good,2,0.5,0.5,4,29.375,2.735,106.75,13.625,3.5,4.375,3.44,1.66,1.78,145,73,72,79,8,2.54,1.66,0.8800000000000001,140.5,8.75,25,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,8.7,22.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2AuSnO4,Cr2AuSnO4,trimetallic_oxide,3,"Au, Cr, O, Sn",-2.52,0.127,1.17,0.28,0.272,good,2,0.5,0.5,4,26.125,2.6975,104.625,12.625,3.375,3.75,3.44,1.66,1.78,145,73,72,79,8,2.54,1.66,0.8800000000000001,136.25,7.5,25,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.5,63.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrSnCeO4,CrSnCeO4,trimetallic_oxide,3,"Ce, Cr, O, Sn",-2.1,0.008,1.25,0.145,0.309,good,2,0.5714285714285714,0.4285714285714286,4,23.428571428571427,2.642857142857143,106.71428571428572,12.428571428571429,3.2857142857142856,2.2857142857142856,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,151.66666666666666,5.333333333333332,16,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,True,True,False,False,True,False,False,True,Orthorhombic,0,0,0,1,0,0,0,49.0,15.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CrSnCe2O4,CrSnCe2O4,trimetallic_oxide,3,"Ce, Cr, O, Sn",-2.51,0.101,0.86,0.241,0.409,good,2,0.5,0.5,4,27.75,2.4525,116.125,11.25,3.625,2.125,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,159.25,4.25,16,10,0.125,0.125,0.25,0.125,0,0,0.25,True,True,True,False,False,True,False,False,True,Monoclinic,0,0,0,0,1,0,0,49.0,15.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cr2SnCeO4,Cr2SnCeO4,trimetallic_oxide,3,"Ce, Cr, O, Sn",-3.13,0.305,1.26,0.408,0.3,excellent,3,0.5,0.5,4,23.5,2.52,109.375,11.625,3.375,2.625,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,145.75,5.25,16,10,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,False,False,True,False,False,True,Triclinic,0,0,0,0,0,0,1,31.2,38.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnFeMoO4,MnFeMoO4,trimetallic_oxide,3,"Fe, Mn, Mo, O",-2.97,0.109,0.98,0.16,0.328,good,2,0.5714285714285714,0.4285714285714286,4,17.857142857142858,2.757142857142857,97.71428571428572,12.142857142857142,3.0,2.2857142857142856,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,130.66666666666666,5.333333333333332,16,6,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,23.7,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnFeMo2O4,MnFeMo2O4,trimetallic_oxide,3,"Fe, Mn, Mo, O",-2.71,0.079,0.8,0.26,0.297,good,2,0.5,0.5,4,20.875,2.6825,102.875,11.375,3.25,2.625,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,132.75,5.25,16,6,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,50.8,27.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2FeMoO4,Mn2FeMoO4,trimetallic_oxide,3,"Fe, Mn, Mo, O",-3.18,0.072,0.41,0.256,0.343,good,2,0.5,0.5,4,18.75,2.60625,101.375,11.5,3.125,2.625,3.44,1.55,1.89,139,73,66,42,8,2.16,1.55,0.6100000000000001,129.75,5.25,16,6,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.2,20.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnFeIrO4,MnFeIrO4,trimetallic_oxide,3,"Fe, Ir, Mn, O",-1.86,0.074,1.12,0.351,0.282,good,2,0.5714285714285714,0.4285714285714286,4,22.857142857142858,2.7628571428571425,97.28571428571428,12.571428571428571,3.142857142857143,2.571428571428571,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,129.66666666666666,5.999999999999999,18,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,26.3,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnFeIr2O4,MnFeIr2O4,trimetallic_oxide,3,"Fe, Ir, Mn, O",-3.38,0.014,0.69,0.359,0.322,good,2,0.5,0.5,4,29.625,2.6925,102.125,12.125,3.5,3.125,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,131.25,6.25,18,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.7,42.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2FeIrO4,Mn2FeIrO4,trimetallic_oxide,3,"Fe, Ir, Mn, O",-3.09,0.079,1.69,0.219,0.442,excellent,3,0.5,0.5,4,23.125,2.61125,101.0,11.875,3.25,2.875,3.44,1.55,1.89,136,73,63,77,8,2.2,1.55,0.6500000000000001,129.0,5.75,18,7,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,44.6,37.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCoZnO4,MnCoZnO4,trimetallic_oxide,3,"Co, Mn, O, Zn",-3.12,0.022,1.26,0.397,0.263,good,2,0.5714285714285714,0.4285714285714286,4,16.285714285714285,2.6914285714285717,96.85714285714286,13.142857142857142,2.8571428571428568,3.1428571428571423,3.44,1.55,1.89,134,73,61,30,8,1.88,1.55,0.3299999999999998,128.66666666666666,7.333333333333332,22,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,51.3,46.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCoZn2O4,MnCoZn2O4,trimetallic_oxide,3,"Co, Mn, O, Zn",-3.35,0.019,1.42,0.195,0.15,excellent,3,0.5,0.5,4,18.0,2.56125,101.5,13.0,3.0,4.0,3.44,1.55,1.89,134,73,61,30,8,1.88,1.55,0.3299999999999998,130.0,8.0,22,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,36.9,46.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2CoZnO4,Mn2CoZnO4,trimetallic_oxide,3,"Co, Mn, O, Zn",-2.55,0.064,0.64,0.291,0.229,good,2,0.5,0.5,4,17.375,2.54875,100.625,12.375,3.0,3.375,3.44,1.55,1.89,134,73,61,30,8,1.88,1.55,0.3299999999999998,128.25,6.75,22,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.6,39.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCoWO4,MnCoWO4,trimetallic_oxide,3,"Co, Mn, O, W",-2.88,0.098,1.11,0.223,0.343,good,2,0.5714285714285714,0.4285714285714286,4,22.57142857142857,2.7928571428571427,97.57142857142856,12.285714285714285,3.142857142857143,2.2857142857142856,3.44,1.55,1.89,139,73,66,74,8,2.36,1.55,0.8099999999999998,130.33333333333331,5.333333333333332,16,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,54.5,28.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCoW2O4,MnCoW2O4,trimetallic_oxide,3,"Co, Mn, O, W",-2.65,0.15,1.23,0.372,0.308,good,2,0.5,0.5,4,29.0,2.73875,102.75,11.5,3.5,2.5,3.44,1.55,1.89,139,73,66,74,8,2.36,1.55,0.8099999999999998,132.5,5.0,16,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.7,18.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2CoWO4,Mn2CoWO4,trimetallic_oxide,3,"Co, Mn, O, W",-2.84,0.373,0.9,0.477,0.238,good,2,0.5,0.5,4,22.875,2.6375,101.25,11.625,3.25,2.625,3.44,1.55,1.89,139,73,66,74,8,2.36,1.55,0.8099999999999998,129.5,5.25,16,7,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,59.3,8.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCoCeO4,MnCoCeO4,trimetallic_oxide,3,"Ce, Co, Mn, O",-2.82,0.275,0.9,0.539,0.231,good,2,0.5714285714285714,0.4285714285714286,4,20.285714285714285,2.6157142857142857,103.71428571428572,11.857142857142856,3.142857142857143,1.857142857142857,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,144.66666666666666,4.333333333333333,13,7,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,32.8,23.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCoCe2O4,MnCoCe2O4,trimetallic_oxide,3,"Ce, Co, Mn, O",-3.04,0.132,1.46,0.362,0.261,excellent,3,0.5,0.5,4,25.0,2.42875,113.5,10.75,3.5,1.75,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,154.0,3.5,13,7,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,44.4,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2CoCeO4,Mn2CoCeO4,trimetallic_oxide,3,"Ce, Co, Mn, O",-2.1,0.166,0.71,0.507,0.368,good,2,0.5,0.5,4,20.875,2.4825,106.625,11.25,3.25,2.25,3.44,1.12,2.32,182,73,109,58,8,1.88,1.12,0.7599999999999998,140.25,4.5,13,7,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,True,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,42.5,58.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNiHfO4,MnNiHfO4,trimetallic_oxide,3,"Hf, Mn, Ni, O",-3.45,0.27,1.37,0.274,0.31,excellent,3,0.5714285714285714,0.4285714285714286,4,22.428571428571427,2.645714285714285,100.28571428571428,12.142857142857142,3.142857142857143,2.142857142857143,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,136.66666666666663,4.999999999999999,15,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,39.4,49.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNiHf2O4,MnNiHf2O4,trimetallic_oxide,3,"Hf, Mn, Ni, O",-2.96,0.001,0.55,0.413,0.413,good,2,0.5,0.5,4,28.625,2.4775,107.625,11.125,3.5,2.125,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,142.25,4.25,15,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.7,29.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2NiHfO4,Mn2NiHfO4,trimetallic_oxide,3,"Hf, Mn, Ni, O",-2.71,0.907,1.13,0.412,0.351,good,2,0.5,0.5,4,22.75,2.50875,103.625,11.5,3.25,2.5,3.44,1.3,2.14,159,73,86,72,8,1.91,1.3,0.6099999999999999,134.25,5.0,15,8,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.0,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNiBiO4,MnNiBiO4,trimetallic_oxide,3,"Bi, Mn, Ni, O",-2.46,0.183,1.02,0.127,0.207,good,2,0.5714285714285714,0.4285714285714286,4,24.0,2.748571428571428,98.0,13.714285714285714,3.142857142857143,3.2857142857142856,3.44,1.55,1.89,143,73,70,83,8,2.02,1.55,0.47,131.33333333333331,7.666666666666665,23,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,43.4,53.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNiBi2O4,MnNiBi2O4,trimetallic_oxide,3,"Bi, Mn, Ni, O",-3.57,0.109,1.57,0.32,0.348,excellent,3,0.5,0.5,4,31.375,2.6575,103.625,13.875,3.5,4.125,3.44,1.55,1.89,143,73,70,83,8,2.02,1.55,0.47,134.25,8.25,23,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.4,23.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2NiBiO4,Mn2NiBiO4,trimetallic_oxide,3,"Bi, Mn, Ni, O",-2.37,0.066,1.16,0.317,0.323,good,2,0.5,0.5,4,24.125,2.59875,101.625,12.875,3.25,3.5,3.44,1.55,1.89,143,73,70,83,8,2.02,1.55,0.47,130.25,7.0,23,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.2,45.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCuAgO4,MnCuAgO4,trimetallic_oxide,3,"Ag, Cu, Mn, O",-2.32,0.07,1.55,0.218,0.258,good,2,0.5714285714285714,0.4285714285714286,4,19.0,2.734285714285714,98.71428571428572,13.285714285714285,3.0,3.571428571428571,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,133.0,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,12.6,59.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCuAg2O4,MnCuAg2O4,trimetallic_oxide,3,"Ag, Cu, Mn, O",-2.11,0.053,0.49,0.263,0.271,good,2,0.5,0.5,4,22.5,2.63375,104.375,13.0,3.25,4.375,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,135.75,8.75,25,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.2,46.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2CuAgO4,Mn2CuAgO4,trimetallic_oxide,3,"Ag, Cu, Mn, O",-2.82,0.283,0.69,0.341,0.261,good,2,0.5,0.5,4,19.75,2.58625,102.25,12.5,3.125,3.75,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,131.5,7.5,25,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,28.8,6.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCuSnO4,MnCuSnO4,trimetallic_oxide,3,"Cu, Mn, O, Sn",-2.43,0.153,1.56,0.263,0.15,good,2,0.5714285714285714,0.4285714285714286,4,19.428571428571427,2.7385714285714284,98.85714285714286,13.714285714285714,3.0,3.571428571428571,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,133.33333333333331,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnCuSn2O4,MnCuSn2O4,trimetallic_oxide,3,"Cu, Mn, O, Sn",-3.02,0.125,1.04,0.239,0.315,good,2,0.5,0.5,4,23.25,2.64125,104.625,13.75,3.25,4.375,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,136.25,8.75,25,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,35.4,43.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2CuSnO4,Mn2CuSnO4,trimetallic_oxide,3,"Cu, Mn, O, Sn",-2.77,0.155,1.08,0.247,0.261,good,2,0.5,0.5,4,20.125,2.59,102.375,12.875,3.125,3.75,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,131.75,7.5,25,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,58.0,18.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZnAgO4,MnZnAgO4,trimetallic_oxide,3,"Ag, Mn, O, Zn",-2.37,0.045,1.66,0.238,0.329,good,2,0.5714285714285714,0.4285714285714286,4,19.142857142857142,2.6985714285714284,99.57142857142856,13.428571428571429,3.0,3.571428571428571,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,135.0,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,58.2,21.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZnAg2O4,MnZnAg2O4,trimetallic_oxide,3,"Ag, Mn, O, Zn",-2.72,0.152,0.44,0.224,0.294,good,2,0.5,0.5,4,22.625,2.6025,105.125,13.125,3.25,4.375,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,137.25,8.75,25,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.6,40.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2ZnAgO4,Mn2ZnAgO4,trimetallic_oxide,3,"Ag, Mn, O, Zn",-2.43,0.513,1.19,0.407,0.283,good,2,0.5,0.5,4,19.875,2.555,103.0,12.625,3.125,3.75,3.44,1.55,1.89,144,73,71,47,8,1.93,1.55,0.3799999999999999,133.0,7.5,25,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.8,46.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZnSnO4,MnZnSnO4,trimetallic_oxide,3,"Mn, O, Sn, Zn",-2.77,0.067,1.05,0.348,0.218,good,2,0.5714285714285714,0.4285714285714286,4,19.57142857142857,2.7028571428571424,99.71428571428572,13.857142857142856,3.0,3.571428571428571,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,135.33333333333331,8.333333333333332,25,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,53.3,46.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZnSn2O4,MnZnSn2O4,trimetallic_oxide,3,"Mn, O, Sn, Zn",-3.3,0.208,0.74,0.393,0.256,good,2,0.5,0.5,4,23.375,2.61,105.375,13.875,3.25,4.375,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,137.75,8.75,25,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,33.7,52.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2ZnSnO4,Mn2ZnSnO4,trimetallic_oxide,3,"Mn, O, Sn, Zn",-3.01,0.04,0.77,0.346,0.307,good,2,0.5,0.5,4,20.25,2.55875,103.125,13.0,3.125,3.75,3.44,1.55,1.89,145,73,72,50,8,1.96,1.55,0.4099999999999999,133.25,7.5,25,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,16.6,32.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZrHfO4,MnZrHfO4,trimetallic_oxide,3,"Hf, Mn, O, Zr",-2.63,0.181,1.43,0.261,0.21,good,2,0.5714285714285714,0.4285714285714286,4,24.14285714285714,2.5628571428571427,105.42857142857142,11.285714285714285,3.2857142857142856,1.2857142857142856,3.44,1.3,2.14,160,73,87,72,8,1.55,1.3,0.25,148.66666666666663,3.0,9,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,31.5,28.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZrHf2O4,MnZrHf2O4,trimetallic_oxide,3,"Hf, Mn, O, Zr",-2.73,0.038,1.79,0.403,0.319,good,2,0.5,0.5,4,30.125,2.405,112.125,10.375,3.625,1.375,3.44,1.3,2.14,160,73,87,72,8,1.55,1.3,0.25,151.25,2.75,9,5,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,65.3,23.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2ZrHfO4,Mn2ZrHfO4,trimetallic_oxide,3,"Hf, Mn, O, Zr",-2.92,0.153,1.09,0.294,0.475,good,2,0.5,0.5,4,24.25,2.43625,108.125,10.75,3.375,1.75,3.44,1.3,2.14,160,73,87,72,8,1.55,1.3,0.25,143.25,3.5,9,5,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.1,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZrBiO4,MnZrBiO4,trimetallic_oxide,3,"Bi, Mn, O, Zr",-2.8,0.151,0.97,0.311,0.153,good,2,0.5714285714285714,0.4285714285714286,4,25.71428571428571,2.665714285714285,103.14285714285714,12.857142857142856,3.2857142857142856,2.4285714285714284,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,143.33333333333331,5.666666666666665,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,5.0,36.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnZrBi2O4,MnZrBi2O4,trimetallic_oxide,3,"Bi, Mn, O, Zr",-3.12,0.09,1.08,0.28,0.291,good,2,0.5,0.5,4,32.875,2.585,108.125,13.125,3.625,3.375,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,143.25,6.75,17,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,36.3,38.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2ZrBiO4,Mn2ZrBiO4,trimetallic_oxide,3,"Bi, Mn, O, Zr",-2.69,0.065,1.38,0.434,0.193,good,2,0.5,0.5,4,25.625,2.52625,106.125,12.125,3.375,2.75,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,139.25,5.5,17,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,45.1,18.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNbWO4,MnNbWO4,trimetallic_oxide,3,"Mn, Nb, O, W",-3.08,0.079,0.88,0.225,0.444,good,2,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.7528571428571427,100.57142857142856,11.714285714285714,3.2857142857142856,1.857142857142857,3.44,1.55,1.89,146,73,73,74,8,2.36,1.55,0.8099999999999998,137.33333333333331,4.333333333333333,13,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.1,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNbW2O4,MnNbW2O4,trimetallic_oxide,3,"Mn, Nb, O, W",-3.0,0.135,1.1,0.286,0.19,good,2,0.5,0.5,4,30.75,2.70375,105.375,11.0,3.625,2.125,3.44,1.55,1.89,146,73,73,74,8,2.36,1.55,0.8099999999999998,137.75,4.25,13,5,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.9,35.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2NbWO4,Mn2NbWO4,trimetallic_oxide,3,"Mn, Nb, O, W",-2.77,0.124,1.06,0.313,0.303,good,2,0.5,0.5,4,24.625,2.6025,103.875,11.125,3.375,2.25,3.44,1.55,1.89,146,73,73,74,8,2.36,1.55,0.8099999999999998,134.75,4.5,13,5,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,63.5,67.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNbCeO4,MnNbCeO4,trimetallic_oxide,3,"Ce, Mn, Nb, O",-3.04,0.256,1.25,0.339,0.398,good,2,0.5714285714285714,0.4285714285714286,4,22.285714285714285,2.5757142857142856,106.71428571428572,11.285714285714285,3.2857142857142856,1.4285714285714284,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,151.66666666666666,3.333333333333333,10,5,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,23.1,13.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnNbCe2O4,MnNbCe2O4,trimetallic_oxide,3,"Ce, Mn, Nb, O",-3.25,0.662,1.03,0.31,0.346,excellent,3,0.5,0.5,4,26.75,2.39375,116.125,10.25,3.625,1.375,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,159.25,2.75,10,5,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,35.1,11.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2NbCeO4,Mn2NbCeO4,trimetallic_oxide,3,"Ce, Mn, Nb, O",-3.11,0.07,0.86,0.381,0.237,good,2,0.5,0.5,4,22.625,2.4475,109.25,10.75,3.375,1.875,3.44,1.12,2.32,182,73,109,58,8,1.6,1.12,0.48,145.5,3.75,10,5,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,46.5,26.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnMoIrO4,MnMoIrO4,trimetallic_oxide,3,"Ir, Mn, Mo, O",-3.04,0.25,0.85,0.339,0.254,good,2,0.5714285714285714,0.4285714285714286,4,25.142857142857142,2.81,99.14285714285714,12.285714285714285,3.2857142857142856,2.4285714285714284,3.44,1.55,1.89,139,73,66,77,8,2.2,1.55,0.6500000000000001,134.0,5.666666666666666,17,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,40.8,30.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnMoIr2O4,MnMoIr2O4,trimetallic_oxide,3,"Ir, Mn, Mo, O",-2.67,0.011,1.58,0.341,0.159,good,2,0.5,0.5,4,31.625,2.73375,103.75,11.875,3.625,3.0,3.44,1.55,1.89,139,73,66,77,8,2.2,1.55,0.6500000000000001,134.5,6.0,17,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.5,8.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2MoIrO4,Mn2MoIrO4,trimetallic_oxide,3,"Ir, Mn, Mo, O",-2.84,0.064,0.85,0.353,0.201,good,2,0.5,0.5,4,25.125,2.6525,102.625,11.625,3.375,2.75,3.44,1.55,1.89,139,73,66,77,8,2.2,1.55,0.6500000000000001,132.25,5.5,17,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,26.2,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnRuAgO4,MnRuAgO4,trimetallic_oxide,3,"Ag, Mn, O, Ru",-2.07,0.037,1.33,0.382,0.307,good,2,0.5714285714285714,0.4285714285714286,4,21.142857142857142,2.7771428571428567,99.57142857142856,12.857142857142856,3.1428571428571423,3.1428571428571423,3.44,1.55,1.89,144,73,71,47,8,2.2,1.55,0.6500000000000001,135.0,7.333333333333332,22,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.2,51.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnRuAg2O4,MnRuAg2O4,trimetallic_oxide,3,"Ag, Mn, O, Ru",-1.87,0.191,1.17,0.285,0.212,good,2,0.5,0.5,4,24.375,2.67125,105.125,12.625,3.375,4.0,3.44,1.55,1.89,144,73,71,47,8,2.2,1.55,0.6500000000000001,137.25,8.0,22,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.3,11.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2RuAgO4,Mn2RuAgO4,trimetallic_oxide,3,"Ag, Mn, O, Ru",-2.32,0.146,0.96,0.218,0.234,good,2,0.5,0.5,4,21.625,2.62375,103.0,12.125,3.25,3.375,3.44,1.55,1.89,144,73,71,47,8,2.2,1.55,0.6500000000000001,133.0,6.75,22,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,26.7,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnRuSnO4,MnRuSnO4,trimetallic_oxide,3,"Mn, O, Ru, Sn",-2.7,0.312,0.52,0.238,0.37,good,2,0.5714285714285714,0.4285714285714286,4,21.57142857142857,2.781428571428571,99.71428571428572,13.285714285714285,3.1428571428571423,3.1428571428571423,3.44,1.55,1.89,145,73,72,50,8,2.2,1.55,0.6500000000000001,135.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,33.0,26.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnRuSn2O4,MnRuSn2O4,trimetallic_oxide,3,"Mn, O, Ru, Sn",-3.05,0.412,0.26,0.29,0.378,good,2,0.5,0.5,4,25.125,2.67875,105.375,13.375,3.375,4.0,3.44,1.55,1.89,145,73,72,50,8,2.2,1.55,0.6500000000000001,137.75,8.0,22,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,25.1,47.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2RuSnO4,Mn2RuSnO4,trimetallic_oxide,3,"Mn, O, Ru, Sn",-2.89,0.182,0.17,0.292,0.215,good,2,0.5,0.5,4,22.0,2.6275,103.125,12.5,3.25,3.375,3.44,1.55,1.89,145,73,72,50,8,2.2,1.55,0.6500000000000001,133.25,6.75,22,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,69.3,28.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnRhOsO4,MnRhOsO4,trimetallic_oxide,3,"Mn, O, Os, Rh",-2.71,0.046,0.95,0.321,0.308,good,2,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.827142857142857,98.28571428571428,12.571428571428571,3.2857142857142856,2.714285714285714,3.44,1.55,1.89,135,73,62,76,8,2.28,1.55,0.7299999999999998,132.0,6.333333333333332,19,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.2,50.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnRhOs2O4,MnRhOs2O4,trimetallic_oxide,3,"Mn, O, Os, Rh",-3.05,0.105,1.05,0.311,0.317,good,2,0.5,0.5,4,31.75,2.74875,102.875,12.0,3.625,3.125,3.44,1.55,1.89,135,73,62,76,8,2.28,1.55,0.7299999999999998,132.75,6.25,19,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.9,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2RhOsO4,Mn2RhOsO4,trimetallic_oxide,3,"Mn, O, Os, Rh",-3.37,0.049,0.43,0.353,0.405,good,2,0.5,0.5,4,25.375,2.6675,101.875,11.875,3.375,3.0,3.44,1.55,1.89,135,73,62,76,8,2.28,1.55,0.7299999999999998,130.75,6.0,19,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,56.5,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnPdHfO4,MnPdHfO4,trimetallic_oxide,3,"Hf, Mn, O, Pd",-2.31,0.059,1.75,0.168,0.238,good,2,0.5714285714285714,0.4285714285714286,4,25.0,2.687142857142857,102.14285714285714,12.142857142857142,3.2857142857142856,2.4285714285714284,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,140.99999999999997,5.666666666666665,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.7,43.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnPdHf2O4,MnPdHf2O4,trimetallic_oxide,3,"Hf, Mn, O, Pd",-2.78,0.097,1.01,0.194,0.351,good,2,0.5,0.5,4,30.875,2.51375,109.25,11.125,3.625,2.375,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,145.5,4.75,17,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,51.3,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2PdHfO4,Mn2PdHfO4,trimetallic_oxide,3,"Hf, Mn, O, Pd",-2.92,0.097,0.94,0.186,0.242,good,2,0.5,0.5,4,25.0,2.545,105.25,11.5,3.375,2.75,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,137.5,5.5,17,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,61.5,38.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnPdBiO4,MnPdBiO4,trimetallic_oxide,3,"Bi, Mn, O, Pd",-2.5,0.086,1.24,0.28,0.165,good,2,0.5714285714285714,0.4285714285714286,4,26.57142857142857,2.79,99.85714285714286,13.714285714285714,3.2857142857142856,3.571428571428571,3.44,1.55,1.89,143,73,70,83,8,2.2,1.55,0.6500000000000001,135.66666666666663,8.333333333333332,25,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,46.1,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnPdBi2O4,MnPdBi2O4,trimetallic_oxide,3,"Bi, Mn, O, Pd",-2.95,0.117,1.21,0.357,0.291,good,2,0.5,0.5,4,33.625,2.69375,105.25,13.875,3.625,4.375,3.44,1.55,1.89,143,73,70,83,8,2.2,1.55,0.6500000000000001,137.5,8.75,25,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.9,21.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2PdBiO4,Mn2PdBiO4,trimetallic_oxide,3,"Bi, Mn, O, Pd",-2.65,0.041,0.79,0.273,0.264,good,2,0.5,0.5,4,26.375,2.635,103.25,12.875,3.375,3.75,3.44,1.55,1.89,143,73,70,83,8,2.2,1.55,0.6500000000000001,133.5,7.5,25,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,31.6,43.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnAgAuO4,MnAgAuO4,trimetallic_oxide,3,"Ag, Au, Mn, O",-3.35,0.165,1.14,0.188,0.312,excellent,3,0.5714285714285714,0.4285714285714286,4,26.14285714285714,2.8257142857142856,101.0,13.285714285714285,3.2857142857142856,3.571428571428571,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,138.33333333333331,8.333333333333332,25,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,46.1,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnAgAu2O4,MnAgAu2O4,trimetallic_oxide,3,"Ag, Au, Mn, O",-2.33,0.009,1.06,0.275,0.303,good,2,0.5,0.5,4,32.75,2.79,106.375,13.0,3.625,4.375,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,139.75,8.75,25,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,26.1,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2AgAuO4,Mn2AgAuO4,trimetallic_oxide,3,"Ag, Au, Mn, O",-2.02,0.344,1.08,0.293,0.269,good,2,0.5,0.5,4,26.0,2.66625,104.25,12.5,3.375,3.75,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,135.5,7.5,25,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.1,20.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnHfIrO4,MnHfIrO4,trimetallic_oxide,3,"Hf, Ir, Mn, O",-2.66,0.047,1.43,0.272,0.352,good,2,0.5714285714285714,0.4285714285714286,4,29.428571428571427,2.687142857142857,102.0,12.0,3.4285714285714284,2.0,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,140.66666666666666,4.666666666666666,14,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.7,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnHfIr2O4,MnHfIr2O4,trimetallic_oxide,3,"Hf, Ir, Mn, O",-2.76,0.213,1.1,0.227,0.275,good,2,0.5,0.5,4,35.375,2.62625,106.25,11.625,3.75,2.625,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,139.5,5.25,14,7,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,10.8,44.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2HfIrO4,Mn2HfIrO4,trimetallic_oxide,3,"Hf, Ir, Mn, O",-2.23,0.149,0.97,0.283,0.325,good,2,0.5,0.5,4,28.875,2.545,105.125,11.375,3.5,2.375,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,137.25,4.75,14,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,48.8,9.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnTaOsO4,MnTaOsO4,trimetallic_oxide,3,"Mn, O, Os, Ta",-2.8,0.0,1.11,0.263,0.247,good,2,0.5714285714285714,0.4285714285714286,4,29.428571428571427,2.7157142857142853,100.0,12.0,3.4285714285714284,2.0,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,136.0,4.666666666666666,14,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.0,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnTaOs2O4,MnTaOs2O4,trimetallic_oxide,3,"Mn, O, Os, Ta",-2.85,0.001,1.61,0.461,0.276,good,2,0.5,0.5,4,35.25,2.65125,104.375,11.5,3.75,2.5,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,135.75,5.0,14,6,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.6,18.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2TaOsO4,Mn2TaOsO4,trimetallic_oxide,3,"Mn, O, Os, Ta",-4.08,0.012,1.32,0.306,0.242,excellent,3,0.5,0.5,4,28.875,2.57,103.375,11.375,3.5,2.375,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,133.75,4.75,14,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.4,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnWOsO4,MnWOsO4,trimetallic_oxide,3,"Mn, O, Os, W",-2.61,0.137,1.16,0.488,0.264,good,2,0.5714285714285714,0.4285714285714286,4,29.57142857142857,2.8385714285714285,99.0,12.142857142857142,3.4285714285714284,2.142857142857143,3.44,1.55,1.89,139,73,66,76,8,2.36,1.55,0.8099999999999998,133.66666666666666,4.999999999999999,15,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.4,51.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnWOs2O4,MnWOs2O4,trimetallic_oxide,3,"Mn, O, Os, W",-2.49,0.011,1.11,0.358,0.287,good,2,0.5,0.5,4,35.375,2.75875,103.5,11.625,3.75,2.625,3.44,1.55,1.89,139,73,66,76,8,2.36,1.55,0.8099999999999998,134.0,5.25,15,6,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,45.5,22.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2WOsO4,Mn2WOsO4,trimetallic_oxide,3,"Mn, O, Os, W",-2.8,0.117,0.85,0.357,0.387,good,2,0.5,0.5,4,29.0,2.6775,102.5,11.5,3.5,2.5,3.44,1.55,1.89,139,73,66,76,8,2.36,1.55,0.8099999999999998,132.0,5.0,15,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.8,44.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnReIrO4,MnReIrO4,trimetallic_oxide,3,"Ir, Mn, O, Re",-2.75,0.097,1.33,0.258,0.302,good,2,0.5714285714285714,0.4285714285714286,4,29.85714285714285,2.7728571428571427,98.85714285714286,12.428571428571429,3.4285714285714284,2.4285714285714284,3.44,1.55,1.89,137,73,64,77,8,2.2,1.55,0.6500000000000001,133.33333333333331,5.666666666666666,17,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,61.7,11.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnReIr2O4,MnReIr2O4,trimetallic_oxide,3,"Ir, Mn, O, Re",-2.78,0.221,1.43,0.502,0.233,good,2,0.5,0.5,4,35.75,2.70125,103.5,12.0,3.75,3.0,3.44,1.55,1.89,137,73,64,77,8,2.2,1.55,0.6500000000000001,134.0,6.0,17,7,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,45.1,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2ReIrO4,Mn2ReIrO4,trimetallic_oxide,3,"Ir, Mn, O, Re",-3.04,0.03,1.6,0.335,0.339,excellent,3,0.5,0.5,4,29.25,2.62,102.375,11.75,3.5,2.75,3.44,1.55,1.89,137,73,64,77,8,2.2,1.55,0.6500000000000001,131.75,5.5,17,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.3,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnOsAuO4,MnOsAuO4,trimetallic_oxide,3,"Au, Mn, O, Os",-2.64,0.851,0.77,0.272,0.239,good,2,0.5714285714285714,0.4285714285714286,4,30.285714285714285,2.864285714285714,99.71428571428572,12.857142857142856,3.4285714285714284,3.0,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,135.33333333333331,6.999999999999998,21,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.2,34.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnOsAu2O4,MnOsAu2O4,trimetallic_oxide,3,"Au, Mn, O, Os",-2.97,0.035,1.33,0.381,0.396,good,2,0.5,0.5,4,36.375,2.82375,105.25,12.625,3.75,3.875,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,137.5,7.75,21,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,18.9,29.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2OsAuO4,Mn2OsAuO4,trimetallic_oxide,3,"Au, Mn, O, Os",-3.22,0.026,0.87,0.409,0.279,good,2,0.5,0.5,4,29.625,2.7,103.125,12.125,3.5,3.25,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,133.25,6.5,21,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,63.8,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnIrBiO4,MnIrBiO4,trimetallic_oxide,3,"Bi, Ir, Mn, O",-2.82,0.176,1.44,0.374,0.247,good,2,0.5714285714285714,0.4285714285714286,4,31.0,2.79,99.71428571428572,13.571428571428571,3.4285714285714284,3.1428571428571423,3.44,1.55,1.89,143,73,70,83,8,2.2,1.55,0.6500000000000001,135.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,26.7,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnIrBi2O4,MnIrBi2O4,trimetallic_oxide,3,"Bi, Ir, Mn, O",-3.07,0.006,1.32,0.273,0.237,good,2,0.5,0.5,4,37.5,2.69375,105.125,13.75,3.75,4.0,3.44,1.55,1.89,143,73,70,83,8,2.2,1.55,0.6500000000000001,137.25,8.0,22,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,5.7,17.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2IrBiO4,Mn2IrBiO4,trimetallic_oxide,3,"Bi, Ir, Mn, O",-2.25,0.057,1.48,0.372,0.446,good,2,0.5,0.5,4,30.25,2.635,103.125,12.75,3.5,3.375,3.44,1.55,1.89,143,73,70,83,8,2.2,1.55,0.6500000000000001,133.25,6.75,22,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,32.9,41.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnAuSnO4,MnAuSnO4,trimetallic_oxide,3,"Au, Mn, O, Sn",-2.27,0.333,1.15,0.354,0.269,good,2,0.5714285714285714,0.4285714285714286,4,26.57142857142857,2.83,101.14285714285714,13.714285714285714,3.2857142857142856,3.571428571428571,3.44,1.55,1.89,145,73,72,79,8,2.54,1.55,0.99,138.66666666666663,8.333333333333332,25,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.7,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnAuSn2O4,MnAuSn2O4,trimetallic_oxide,3,"Au, Mn, O, Sn",-3.48,0.183,1.2,0.23,0.157,excellent,3,0.5,0.5,4,29.5,2.72125,106.625,13.75,3.5,4.375,3.44,1.55,1.89,145,73,72,79,8,2.54,1.55,0.99,140.25,8.75,25,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,42.3,28.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2AuSnO4,Mn2AuSnO4,trimetallic_oxide,3,"Au, Mn, O, Sn",-2.95,0.028,0.86,0.378,0.258,good,2,0.5,0.5,4,26.375,2.67,104.375,12.875,3.375,3.75,3.44,1.55,1.89,145,73,72,79,8,2.54,1.55,0.99,135.75,7.5,25,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,56.5,40.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnSnCeO4,MnSnCeO4,trimetallic_oxide,3,"Ce, Mn, O, Sn",-2.13,0.009,1.17,0.214,0.238,good,2,0.5714285714285714,0.4285714285714286,4,23.57142857142857,2.627142857142857,106.57142857142856,12.571428571428571,3.2857142857142856,2.2857142857142856,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,151.33333333333331,5.333333333333332,16,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,True,True,False,False,True,False,False,True,Tetragonal,0,1,0,0,0,0,0,33.8,25.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MnSnCe2O4,MnSnCe2O4,trimetallic_oxide,3,"Ce, Mn, O, Sn",-2.74,0.025,0.9,0.334,0.324,good,2,0.5,0.5,4,27.875,2.43875,116.0,11.375,3.625,2.125,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,159.0,4.25,16,10,0.125,0.125,0.25,0.125,0,0,0.25,True,True,True,False,False,True,False,False,True,Monoclinic,0,0,0,0,1,0,0,48.3,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mn2SnCeO4,Mn2SnCeO4,trimetallic_oxide,3,"Ce, Mn, O, Sn",-3.07,0.204,1.46,0.415,0.332,excellent,3,0.5,0.5,4,23.75,2.4925,109.125,11.875,3.375,2.625,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,145.25,5.25,16,10,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,False,False,True,False,False,True,Rhombohedral,0,0,0,0,0,1,0,26.2,34.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCoRuO4,FeCoRuO4,trimetallic_oxide,3,"Co, Fe, O, Ru",-2.4,0.682,1.15,0.37,0.247,good,2,0.5714285714285714,0.4285714285714286,4,18.428571428571427,2.81,96.71428571428572,12.714285714285714,3.0,2.857142857142857,3.44,1.83,1.61,134,73,61,44,8,2.2,1.83,0.3700000000000001,128.33333333333331,6.666666666666666,20,7,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,58.8,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCoRu2O4,FeCoRu2O4,trimetallic_oxide,3,"Co, Fe, O, Ru",-2.88,0.048,1.22,0.328,0.298,good,2,0.5,0.5,4,21.625,2.73375,101.375,12.125,3.25,3.375,3.44,1.83,1.61,134,73,61,44,8,2.2,1.83,0.3700000000000001,129.75,6.75,20,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.6,58.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2CoRuO4,Fe2CoRuO4,trimetallic_oxide,3,"Co, Fe, O, Ru",-2.86,0.108,0.93,0.259,0.293,good,2,0.5,0.5,4,19.375,2.6875,100.375,12.125,3.125,3.25,3.44,1.83,1.61,134,73,61,44,8,2.2,1.83,0.3700000000000001,127.75,6.5,20,7,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.6,18.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCoPtO4,FeCoPtO4,trimetallic_oxide,3,"Co, Fe, O, Pt",-2.97,0.48,0.57,0.332,0.295,good,2,0.5714285714285714,0.4285714285714286,4,23.285714285714285,2.821428571428571,97.42857142857144,13.0,3.142857142857143,3.142857142857143,3.44,1.83,1.61,139,73,66,78,8,2.28,1.83,0.4499999999999997,130.0,7.333333333333332,22,9,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,42.7,23.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCoPt2O4,FeCoPt2O4,trimetallic_oxide,3,"Co, Fe, O, Pt",-2.84,0.285,1.61,0.268,0.337,good,2,0.5,0.5,4,30.125,2.75375,102.625,12.625,3.5,3.875,3.44,1.83,1.61,139,73,66,78,8,2.28,1.83,0.4499999999999997,132.25,7.75,22,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,50.7,15.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2CoPtO4,Fe2CoPtO4,trimetallic_oxide,3,"Co, Fe, O, Pt",-2.32,0.111,0.67,0.348,0.278,good,2,0.5,0.5,4,23.625,2.6975,101.0,12.375,3.25,3.5,3.44,1.83,1.61,139,73,66,78,8,2.28,1.83,0.4499999999999997,129.0,7.0,22,9,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,31.6,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNiNbO4,FeNiNbO4,trimetallic_oxide,3,"Fe, Nb, Ni, O",-2.89,0.115,1.27,0.401,0.261,good,2,0.5714285714285714,0.4285714285714286,4,18.142857142857142,2.728571428571428,98.28571428571428,12.428571428571429,3.0,2.571428571428571,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,132.0,6.0,18,8,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,16.0,12.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNiNb2O4,FeNiNb2O4,trimetallic_oxide,3,"Fe, Nb, Ni, O",-2.86,0.147,1.06,0.287,0.259,good,2,0.5,0.5,4,21.0,2.5875,104.25,11.5,3.25,2.75,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,135.5,5.5,18,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,46.5,43.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2NiNbO4,Fe2NiNbO4,trimetallic_oxide,3,"Fe, Nb, Ni, O",-2.96,0.33,1.1,0.407,0.248,good,2,0.5,0.5,4,19.125,2.61625,101.75,11.875,3.125,3.0,3.44,1.6,1.84,146,73,73,41,8,1.91,1.6,0.3099999999999998,130.5,6.0,18,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,21.1,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNiOsO4,FeNiOsO4,trimetallic_oxide,3,"Fe, Ni, O, Os",-3.24,0.044,1.03,0.306,0.303,excellent,3,0.5714285714285714,0.4285714285714286,4,23.142857142857142,2.814285714285714,96.71428571428572,12.857142857142856,3.142857142857143,2.8571428571428568,3.44,1.83,1.61,135,73,62,76,8,2.2,1.83,0.3700000000000001,128.33333333333331,6.666666666666666,20,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,57.0,11.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNiOs2O4,FeNiOs2O4,trimetallic_oxide,3,"Fe, Ni, O, Os",-2.68,0.168,1.41,0.504,0.22,good,2,0.5,0.5,4,29.75,2.7375,101.5,12.25,3.5,3.25,3.44,1.83,1.61,135,73,62,76,8,2.2,1.83,0.3700000000000001,130.0,6.5,20,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,52.2,20.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2NiOsO4,Fe2NiOsO4,trimetallic_oxide,3,"Fe, Ni, O, Os",-2.71,0.173,0.89,0.158,0.298,good,2,0.5,0.5,4,23.5,2.69125,100.375,12.25,3.25,3.25,3.44,1.83,1.61,135,73,62,76,8,2.2,1.83,0.3700000000000001,127.75,6.5,20,8,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.6,40.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCuZrO4,FeCuZrO4,trimetallic_oxide,3,"Cu, Fe, O, Zr",-2.82,0.011,1.11,0.381,0.298,good,2,0.5714285714285714,0.4285714285714286,4,18.142857142857142,2.688571428571428,100.85714285714286,12.428571428571429,3.0,2.571428571428571,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,138.0,5.999999999999999,18,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,67.6,42.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCuZr2O4,FeCuZr2O4,trimetallic_oxide,3,"Cu, Fe, O, Zr",-3.0,0.542,1.11,0.366,0.253,good,2,0.5,0.5,4,20.875,2.51875,108.25,11.375,3.25,2.5,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,143.5,5.0,18,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.2,15.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2CuZrO4,Fe2CuZrO4,trimetallic_oxide,3,"Cu, Fe, O, Zr",-3.22,0.005,1.2,0.404,0.371,excellent,3,0.5,0.5,4,19.125,2.58125,104.0,11.875,3.125,3.0,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,135.0,6.0,18,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,20.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCuReO4,FeCuReO4,trimetallic_oxide,3,"Cu, Fe, O, Re",-2.58,0.135,0.52,0.239,0.225,good,2,0.5714285714285714,0.4285714285714286,4,23.142857142857142,2.77,97.57142857142856,12.857142857142856,3.142857142857143,3.0,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,130.33333333333331,6.999999999999998,21,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.6,57.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeCuRe2O4,FeCuRe2O4,trimetallic_oxide,3,"Cu, Fe, O, Re",-3.34,0.053,0.95,0.26,0.309,excellent,3,0.5,0.5,4,29.625,2.66125,102.5,12.125,3.5,3.25,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,132.0,6.5,21,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.2,13.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2CuReO4,Fe2CuReO4,trimetallic_oxide,3,"Cu, Fe, O, Re",-2.84,0.057,0.91,0.247,0.175,good,2,0.5,0.5,4,23.5,2.6525,101.125,12.25,3.25,3.375,3.44,1.83,1.61,137,73,64,75,8,1.9,1.83,0.0699999999999998,129.25,6.75,21,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.4,46.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZnZrO4,FeZnZrO4,trimetallic_oxide,3,"Fe, O, Zn, Zr",-3.8,0.07,0.85,0.405,0.285,excellent,3,0.5714285714285714,0.4285714285714286,4,18.285714285714285,2.6528571428571426,101.71428571428572,12.571428571428571,3.0,2.571428571428571,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,140.0,5.999999999999999,18,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,35.8,22.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZnZr2O4,FeZnZr2O4,trimetallic_oxide,3,"Fe, O, Zn, Zr",-2.44,0.249,0.95,0.459,0.23,good,2,0.5,0.5,4,21.0,2.4875,109.0,11.5,3.25,2.5,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,145.0,5.0,18,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,18.6,10.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2ZnZrO4,Fe2ZnZrO4,trimetallic_oxide,3,"Fe, O, Zn, Zr",-2.33,0.086,1.61,0.186,0.232,good,2,0.5,0.5,4,19.25,2.55,104.75,12.0,3.125,3.0,3.44,1.33,2.11,160,73,87,40,8,1.83,1.33,0.5,136.5,6.0,18,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,61.0,31.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZnReO4,FeZnReO4,trimetallic_oxide,3,"Fe, O, Re, Zn",-3.05,0.16,0.67,0.228,0.187,good,2,0.5714285714285714,0.4285714285714286,4,23.285714285714285,2.734285714285714,98.42857142857144,13.0,3.142857142857143,3.0,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,132.33333333333331,6.999999999999998,21,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,19.8,20.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZnRe2O4,FeZnRe2O4,trimetallic_oxide,3,"Fe, O, Re, Zn",-2.92,0.078,1.29,0.289,0.284,good,2,0.5,0.5,4,29.75,2.63,103.25,12.25,3.5,3.25,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,133.5,6.5,21,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.3,45.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2ZnReO4,Fe2ZnReO4,trimetallic_oxide,3,"Fe, O, Re, Zn",-2.78,0.236,0.99,0.358,0.24,good,2,0.5,0.5,4,23.625,2.62125,101.875,12.375,3.25,3.375,3.44,1.65,1.79,137,73,64,75,8,1.9,1.65,0.25,130.75,6.75,21,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,46.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZrNbO4,FeZrNbO4,trimetallic_oxide,3,"Fe, Nb, O, Zr",-2.53,0.172,1.47,0.409,0.347,good,2,0.5714285714285714,0.4285714285714286,4,19.85714285714285,2.645714285714285,103.42857142857144,11.571428571428571,3.1428571428571423,1.7142857142857142,3.44,1.33,2.11,160,73,87,41,8,1.83,1.33,0.5,144.0,4.0,12,6,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.3,20.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZrNb2O4,FeZrNb2O4,trimetallic_oxide,3,"Fe, Nb, O, Zr",-2.64,0.268,1.35,0.496,0.344,good,2,0.5,0.5,4,22.5,2.515,108.75,10.75,3.375,2.0,3.44,1.33,2.11,160,73,87,41,8,1.83,1.33,0.5,144.5,4.0,12,6,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,33.9,32.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2ZrNbO4,Fe2ZrNbO4,trimetallic_oxide,3,"Fe, Nb, O, Zr",-3.2,0.026,1.01,0.433,0.318,good,2,0.5,0.5,4,20.625,2.54375,106.25,11.125,3.25,2.25,3.44,1.33,2.11,160,73,87,41,8,1.83,1.33,0.5,139.5,4.5,12,6,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,74.4,17.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZrOsO4,FeZrOsO4,trimetallic_oxide,3,"Fe, O, Os, Zr",-2.85,0.016,1.4,0.339,0.339,good,2,0.5714285714285714,0.4285714285714286,4,24.85714285714285,2.7314285714285718,101.85714285714286,12.0,3.2857142857142856,2.0,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,140.33333333333331,4.666666666666666,14,6,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.0,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeZrOs2O4,FeZrOs2O4,trimetallic_oxide,3,"Fe, O, Os, Zr",-3.67,0.03,0.45,0.288,0.282,excellent,3,0.5,0.5,4,31.25,2.665,106.0,11.5,3.625,2.5,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,139.0,5.0,14,6,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.2,41.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2ZrOsO4,Fe2ZrOsO4,trimetallic_oxide,3,"Fe, O, Os, Zr",-2.11,0.094,0.75,0.378,0.307,good,2,0.5,0.5,4,25.0,2.61875,104.875,11.5,3.375,2.5,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,136.75,5.0,14,6,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,55.0,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNbRuO4,FeNbRuO4,trimetallic_oxide,3,"Fe, Nb, O, Ru",-2.8,0.032,1.87,0.451,0.339,good,2,0.5714285714285714,0.4285714285714286,4,20.428571428571427,2.77,99.71428571428572,12.142857142857142,3.1428571428571423,2.4285714285714284,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,135.33333333333331,5.666666666666666,17,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.6,8.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNbRu2O4,FeNbRu2O4,trimetallic_oxide,3,"Fe, Nb, O, Ru",-2.47,0.055,0.52,0.389,0.321,good,2,0.5,0.5,4,23.375,2.69875,104.0,11.625,3.375,3.0,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,135.0,6.0,17,7,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,55.0,53.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2NbRuO4,Fe2NbRuO4,trimetallic_oxide,3,"Fe, Nb, O, Ru",-2.13,0.004,0.73,0.438,0.251,good,2,0.5,0.5,4,21.125,2.6525,103.0,11.625,3.25,2.875,3.44,1.6,1.84,146,73,73,44,8,2.2,1.6,0.6000000000000001,133.0,5.75,17,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.8,22.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNbPtO4,FeNbPtO4,trimetallic_oxide,3,"Fe, Nb, O, Pt",-3.08,0.271,0.73,0.327,0.249,good,2,0.5714285714285714,0.4285714285714286,4,25.285714285714285,2.781428571428571,100.42857142857144,12.428571428571429,3.2857142857142856,2.714285714285714,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,137.0,6.333333333333332,19,9,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,49.2,46.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeNbPt2O4,FeNbPt2O4,trimetallic_oxide,3,"Fe, Nb, O, Pt",-3.39,0.411,1.21,0.189,0.187,excellent,3,0.5,0.5,4,31.875,2.71875,105.25,12.125,3.625,3.5,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,137.5,7.0,19,9,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,43.7,42.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2NbPtO4,Fe2NbPtO4,trimetallic_oxide,3,"Fe, Nb, O, Pt",-3.18,0.512,1.14,0.248,0.253,excellent,3,0.5,0.5,4,25.375,2.6625,103.625,11.875,3.375,3.125,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,134.25,6.25,19,9,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,55.6,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeMoAgO4,FeMoAgO4,trimetallic_oxide,3,"Ag, Fe, Mo, O",-2.84,0.482,1.35,0.238,0.332,good,2,0.5714285714285714,0.4285714285714286,4,21.0,2.8114285714285714,100.14285714285714,12.714285714285714,3.1428571428571423,3.0,3.44,1.83,1.61,144,73,71,47,8,2.16,1.83,0.33,136.33333333333331,6.999999999999998,21,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.6,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeMoAg2O4,FeMoAg2O4,trimetallic_oxide,3,"Ag, Fe, Mo, O",-2.94,0.038,0.83,0.286,0.215,good,2,0.5,0.5,4,24.25,2.70125,105.625,12.5,3.375,3.875,3.44,1.83,1.61,144,73,71,47,8,2.16,1.83,0.33,138.25,7.75,21,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,35.2,14.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2MoAgO4,Fe2MoAgO4,trimetallic_oxide,3,"Ag, Fe, Mo, O",-2.95,0.02,0.69,0.212,0.277,good,2,0.5,0.5,4,21.625,2.68875,103.375,12.125,3.25,3.375,3.44,1.83,1.61,144,73,71,47,8,2.16,1.83,0.33,133.75,6.75,21,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,43.0,51.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeMoSnO4,FeMoSnO4,trimetallic_oxide,3,"Fe, Mo, O, Sn",-2.62,0.371,1.41,0.282,0.199,good,2,0.5714285714285714,0.4285714285714286,4,21.428571428571427,2.8157142857142854,100.28571428571428,13.142857142857142,3.1428571428571423,3.0,3.44,1.83,1.61,145,73,72,50,8,2.16,1.83,0.33,136.66666666666666,6.999999999999998,21,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,57.3,9.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeMoSn2O4,FeMoSn2O4,trimetallic_oxide,3,"Fe, Mo, O, Sn",-2.56,0.203,1.28,0.239,0.255,good,2,0.5,0.5,4,25.0,2.70875,105.875,13.25,3.375,3.875,3.44,1.83,1.61,145,73,72,50,8,2.16,1.83,0.33,138.75,7.75,21,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,46.7,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2MoSnO4,Fe2MoSnO4,trimetallic_oxide,3,"Fe, Mo, O, Sn",-2.86,0.039,1.07,0.259,0.251,good,2,0.5,0.5,4,22.0,2.6925,103.5,12.5,3.25,3.375,3.44,1.83,1.61,145,73,72,50,8,2.16,1.83,0.33,134.0,6.75,21,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,40.0,19.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeRuReO4,FeRuReO4,trimetallic_oxide,3,"Fe, O, Re, Ru",-2.47,0.037,0.83,0.345,0.308,good,2,0.5714285714285714,0.4285714285714286,4,25.285714285714285,2.8128571428571427,98.42857142857144,12.428571428571429,3.2857142857142856,2.571428571428571,3.44,1.83,1.61,137,73,64,75,8,2.2,1.83,0.3700000000000001,132.33333333333331,5.999999999999999,18,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.4,55.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeRuRe2O4,FeRuRe2O4,trimetallic_oxide,3,"Fe, O, Re, Ru",-3.23,0.168,0.89,0.438,0.15,good,2,0.5,0.5,4,31.5,2.69875,103.25,11.75,3.625,2.875,3.44,1.83,1.61,137,73,64,75,8,2.2,1.83,0.3700000000000001,133.5,5.75,18,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.2,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2RuReO4,Fe2RuReO4,trimetallic_oxide,3,"Fe, O, Re, Ru",-2.82,0.021,1.0,0.347,0.249,good,2,0.5,0.5,4,25.375,2.69,101.875,11.875,3.375,3.0,3.44,1.83,1.61,137,73,64,75,8,2.2,1.83,0.3700000000000001,130.75,6.0,18,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,57.2,19.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeRhPdO4,FeRhPdO4,trimetallic_oxide,3,"Fe, O, Pd, Rh",-3.56,0.127,0.65,0.429,0.384,excellent,3,0.5714285714285714,0.4285714285714286,4,21.285714285714285,2.867142857142857,98.42857142857144,13.0,3.1428571428571423,3.4285714285714284,3.44,1.83,1.61,137,73,64,46,8,2.28,1.83,0.4499999999999997,132.33333333333331,7.999999999999999,24,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,64.3,16.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeRhPd2O4,FeRhPd2O4,trimetallic_oxide,3,"Fe, O, Pd, Rh",-2.78,0.122,0.51,0.358,0.332,good,2,0.5,0.5,4,24.375,2.78375,103.25,12.625,3.375,4.25,3.44,1.83,1.61,137,73,64,46,8,2.28,1.83,0.4499999999999997,133.5,8.5,24,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.4,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2RhPdO4,Fe2RhPdO4,trimetallic_oxide,3,"Fe, O, Pd, Rh",-3.02,0.089,0.76,0.373,0.245,good,2,0.5,0.5,4,21.875,2.7375,101.875,12.375,3.25,3.75,3.44,1.83,1.61,137,73,64,46,8,2.28,1.83,0.4499999999999997,130.75,7.5,24,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,5.0,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeRhAlO4,FeRhAlO4,trimetallic_oxide,3,"Al, Fe, O, Rh",-3.15,0.203,1.86,0.445,0.29,excellent,3,0.5714285714285714,0.4285714285714286,4,16.57142857142857,2.7828571428571425,95.71428571428572,13.428571428571429,2.8571428571428568,2.0,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,126.0,4.666666666666666,14,8,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,41.1,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeRhAl2O4,FeRhAl2O4,trimetallic_oxide,3,"Al, Fe, O, Rh",-3.03,0.174,1.68,0.213,0.268,excellent,3,0.5,0.5,4,16.125,2.63625,98.5,13.375,2.875,1.75,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,124.0,3.5,14,8,0.375,0.125,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,38.6,8.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2RhAlO4,Fe2RhAlO4,trimetallic_oxide,3,"Al, Fe, O, Rh",-2.91,0.079,1.21,0.193,0.334,good,2,0.5,0.5,4,17.75,2.66375,99.5,12.75,3.0,2.5,3.44,1.61,1.83,134,73,61,45,8,2.28,1.61,0.6699999999999997,126.0,5.0,14,8,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,65.6,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FePdOsO4,FePdOsO4,trimetallic_oxide,3,"Fe, O, Os, Pd",-2.93,0.012,0.62,0.239,0.15,good,2,0.5714285714285714,0.4285714285714286,4,25.71428571428571,2.855714285714285,98.57142857142856,12.857142857142856,3.2857142857142856,3.1428571428571423,3.44,1.83,1.61,137,73,64,76,8,2.2,1.83,0.3700000000000001,132.66666666666666,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,55.1,18.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FePdOs2O4,FePdOs2O4,trimetallic_oxide,3,"Fe, O, Os, Pd",-2.89,0.044,1.2,0.345,0.191,good,2,0.5,0.5,4,32.0,2.77375,103.125,12.25,3.625,3.5,3.44,1.83,1.61,137,73,64,76,8,2.2,1.83,0.3700000000000001,133.25,7.0,22,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,39.0,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2PdOsO4,Fe2PdOsO4,trimetallic_oxide,3,"Fe, O, Os, Pd",-3.19,0.161,1.39,0.279,0.256,excellent,3,0.5,0.5,4,25.75,2.7275,102.0,12.25,3.375,3.5,3.44,1.83,1.61,137,73,64,76,8,2.2,1.83,0.3700000000000001,131.0,7.0,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.2,7.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeAgTaO4,FeAgTaO4,trimetallic_oxide,3,"Ag, Fe, O, Ta",-3.27,0.081,1.4,0.302,0.197,excellent,3,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.717142857142857,101.14285714285714,12.571428571428571,3.2857142857142856,2.714285714285714,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,138.66666666666666,6.333333333333332,19,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,59.2,39.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeAgTa2O4,FeAgTa2O4,trimetallic_oxide,3,"Ag, Fe, O, Ta",-2.82,0.007,1.44,0.18,0.303,good,2,0.5,0.5,4,31.375,2.565,106.75,11.625,3.625,2.75,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,140.5,5.5,19,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.6,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2AgTaO4,Fe2AgTaO4,trimetallic_oxide,3,"Ag, Fe, O, Ta",-1.97,0.259,1.0,0.351,0.419,good,2,0.5,0.5,4,25.5,2.60625,104.25,12.0,3.375,3.125,3.44,1.5,1.94,146,73,73,73,8,1.93,1.5,0.4299999999999999,135.5,6.25,19,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,70.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeAgLaO4,FeAgLaO4,trimetallic_oxide,3,"Ag, Fe, La, O",-3.41,0.161,1.11,0.289,0.269,excellent,3,0.5714285714285714,0.4285714285714286,4,23.142857142857142,2.66,107.0,12.285714285714285,3.2857142857142856,2.4285714285714284,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,152.33333333333331,5.666666666666666,17,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,38.3,40.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeAgLa2O4,FeAgLa2O4,trimetallic_oxide,3,"Ag, Fe, La, O",-3.02,0.023,1.14,0.387,0.256,good,2,0.5,0.5,4,27.375,2.465,117.0,11.125,3.625,2.25,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,161.0,4.5,17,10,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,40.9,18.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2AgLaO4,Fe2AgLaO4,trimetallic_oxide,3,"Ag, Fe, La, O",-2.78,0.072,1.41,0.093,0.207,good,2,0.5,0.5,4,23.5,2.55625,109.375,11.75,3.375,2.875,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,145.75,5.75,17,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,39.9,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeHfSnO4,FeHfSnO4,trimetallic_oxide,3,"Fe, Hf, O, Sn",-2.2,0.211,1.28,0.295,0.188,good,2,0.5714285714285714,0.4285714285714286,4,25.71428571428571,2.6928571428571426,103.14285714285714,12.857142857142856,3.2857142857142856,2.571428571428571,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,143.33333333333331,5.999999999999999,18,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.2,32.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeHfSn2O4,FeHfSn2O4,trimetallic_oxide,3,"Fe, Hf, O, Sn",-2.55,0.313,1.34,0.173,0.305,good,2,0.5,0.5,4,28.75,2.60125,108.375,13.0,3.5,3.5,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,143.75,7.0,18,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,43.1,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2HfSnO4,Fe2HfSnO4,trimetallic_oxide,3,"Fe, Hf, O, Sn",-2.82,0.16,1.26,0.377,0.268,good,2,0.5,0.5,4,25.75,2.585,106.0,12.25,3.375,3.0,3.44,1.3,2.14,159,73,86,72,8,1.96,1.3,0.6599999999999999,139.0,6.0,18,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.7,30.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeTaAlO4,FeTaAlO4,trimetallic_oxide,3,"Al, Fe, O, Ta",-3.19,0.119,1.03,0.328,0.364,good,2,0.5714285714285714,0.4285714285714286,4,20.57142857142857,2.6714285714285717,97.42857142857144,12.857142857142856,3.0,1.2857142857142856,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,130.0,3.0,9,6,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,27.6,57.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeTaAl2O4,FeTaAl2O4,trimetallic_oxide,3,"Al, Fe, O, Ta",-3.1,0.037,2.13,0.25,0.347,excellent,3,0.5,0.5,4,19.625,2.53875,100.0,12.875,3.0,1.125,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,127.0,2.25,9,6,0.375,0.0,0.125,0.25,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.2,15.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2TaAlO4,Fe2TaAlO4,trimetallic_oxide,3,"Al, Fe, O, Ta",-2.17,0.008,1.08,0.368,0.297,good,2,0.5,0.5,4,21.25,2.56625,101.0,12.25,3.125,1.875,3.44,1.5,1.94,146,73,73,73,8,1.83,1.5,0.33,129.0,3.75,9,6,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,32.2,12.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeWAlO4,FeWAlO4,trimetallic_oxide,3,"Al, Fe, O, W",-2.19,0.06,1.57,0.226,0.36,good,2,0.5714285714285714,0.4285714285714286,4,20.71428571428571,2.794285714285714,96.42857142857144,13.0,3.0,1.4285714285714284,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,127.66666666666666,3.333333333333333,10,6,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.9,44.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeWAl2O4,FeWAl2O4,trimetallic_oxide,3,"Al, Fe, O, W",-2.7,0.007,2.03,0.272,0.321,good,2,0.5,0.5,4,19.75,2.64625,99.125,13.0,3.0,1.25,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,125.25,2.5,10,6,0.375,0.0,0.125,0.25,0,0,0.0,True,False,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,32.2,26.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2WAlO4,Fe2WAlO4,trimetallic_oxide,3,"Al, Fe, O, W",-2.8,0.141,1.45,0.269,0.376,good,2,0.5,0.5,4,21.375,2.67375,100.125,12.375,3.125,2.0,3.44,1.61,1.83,139,73,66,74,8,2.36,1.61,0.7499999999999998,127.25,4.0,10,6,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,27.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeReSnO4,FeReSnO4,trimetallic_oxide,3,"Fe, O, Re, Sn",-2.58,0.101,1.09,0.295,0.312,good,2,0.5714285714285714,0.4285714285714286,4,26.142857142857142,2.7785714285714285,100.0,13.285714285714285,3.2857142857142856,3.0,3.44,1.83,1.61,145,73,72,75,8,1.96,1.83,0.1299999999999999,135.99999999999997,6.999999999999998,21,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,33.2,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeReSn2O4,FeReSn2O4,trimetallic_oxide,3,"Fe, O, Re, Sn",-2.76,0.333,0.87,0.242,0.294,good,2,0.5,0.5,4,29.125,2.67625,105.625,13.375,3.5,3.875,3.44,1.83,1.61,145,73,72,75,8,1.96,1.83,0.1299999999999999,138.25,7.75,21,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,False,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,25.5,43.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2ReSnO4,Fe2ReSnO4,trimetallic_oxide,3,"Fe, O, Re, Sn",-2.84,0.049,1.03,0.336,0.323,good,2,0.5,0.5,4,26.125,2.66,103.25,12.625,3.375,3.375,3.44,1.83,1.61,145,73,72,75,8,1.96,1.83,0.1299999999999999,133.5,6.75,21,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,37.0,27.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeOsLaO4,FeOsLaO4,trimetallic_oxide,3,"Fe, La, O, Os",-2.86,0.017,1.51,0.308,0.286,good,2,0.5714285714285714,0.4285714285714286,4,27.285714285714285,2.6985714285714284,105.71428571428572,11.857142857142856,3.4285714285714284,1.857142857142857,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,149.33333333333331,4.333333333333333,13,6,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.1428571428571428,True,False,True,False,False,False,False,False,True,Cubic,1,0,0,0,0,0,0,31.1,43.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeOsLa2O4,FeOsLa2O4,trimetallic_oxide,3,"Fe, La, O, Os",-2.8,0.218,1.32,0.404,0.166,good,2,0.5,0.5,4,31.0,2.49875,115.875,10.75,3.75,1.75,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,158.75,3.5,13,6,0.125,0.0,0.375,0.0,0,0,0.25,True,False,True,False,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,37.9,54.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2OsLaO4,Fe2OsLaO4,trimetallic_oxide,3,"Fe, La, O, Os",-2.68,0.124,1.27,0.362,0.264,good,2,0.5,0.5,4,27.125,2.59,108.25,11.375,3.5,2.375,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,143.5,4.75,13,6,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,False,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,26.5,49.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FePtAlO4,FePtAlO4,trimetallic_oxide,3,"Al, Fe, O, Pt",-2.91,0.083,1.3,0.271,0.235,good,2,0.5714285714285714,0.4285714285714286,4,21.285714285714285,2.7828571428571425,96.42857142857144,13.571428571428571,3.0,2.142857142857143,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,127.66666666666666,4.999999999999999,15,9,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,63.6,25.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FePtAl2O4,FePtAl2O4,trimetallic_oxide,3,"Al, Fe, O, Pt",-3.13,0.16,1.57,0.24,0.404,excellent,3,0.5,0.5,4,20.25,2.63625,99.125,13.5,3.0,1.875,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,125.25,3.75,15,9,0.375,0.0,0.125,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,29.3,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2PtAlO4,Fe2PtAlO4,trimetallic_oxide,3,"Al, Fe, O, Pt",-2.65,0.257,1.34,0.252,0.285,good,2,0.5,0.5,4,21.875,2.66375,100.125,12.875,3.125,2.625,3.44,1.61,1.83,139,73,66,78,8,2.28,1.61,0.6699999999999997,127.25,5.25,15,9,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,35.1,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeAlSnO4,FeAlSnO4,trimetallic_oxide,3,"Al, Fe, O, Sn",-3.61,0.145,1.07,0.221,0.259,excellent,3,0.5714285714285714,0.4285714285714286,4,17.285714285714285,2.737142857142857,97.28571428571428,14.142857142857142,2.8571428571428568,2.2857142857142856,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,129.66666666666666,5.333333333333332,16,10,0.2857142857142857,0.1428571428571428,0.0,0.2857142857142857,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.8,32.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_FeAlSn2O4,FeAlSn2O4,trimetallic_oxide,3,"Al, Fe, O, Sn",-2.86,0.008,0.97,0.363,0.343,good,2,0.5,0.5,4,21.375,2.64,103.25,14.125,3.125,3.25,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,133.5,6.5,16,10,0.25,0.25,0.0,0.375,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,59.4,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Fe2AlSnO4,Fe2AlSnO4,trimetallic_oxide,3,"Al, Fe, O, Sn",-3.53,0.005,1.06,0.181,0.375,excellent,3,0.5,0.5,4,18.375,2.62375,100.875,13.375,3.0,2.75,3.44,1.61,1.83,145,73,72,50,8,1.96,1.61,0.3499999999999998,128.75,5.5,16,10,0.375,0.125,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,24.7,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNiCuO4,CoNiCuO4,trimetallic_oxide,3,"Co, Cu, Ni, O",-2.37,0.127,0.91,0.372,0.216,good,2,0.5714285714285714,0.4285714285714286,4,16.57142857142857,2.7785714285714285,95.57142857142856,13.428571428571429,2.8571428571428568,3.571428571428571,3.44,1.88,1.56,128,73,55,29,8,1.91,1.88,0.03,125.66666666666666,8.333333333333332,25,10,0.4285714285714285,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.7,13.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNiCu2O4,CoNiCu2O4,trimetallic_oxide,3,"Co, Cu, Ni, O",-3.08,0.084,1.12,0.313,0.253,good,2,0.5,0.5,4,18.125,2.66875,99.625,13.125,3.0,4.375,3.44,1.88,1.56,128,73,55,29,8,1.91,1.88,0.03,126.25,8.75,25,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,20.5,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2NiCuO4,Co2NiCuO4,trimetallic_oxide,3,"Co, Cu, Ni, O",-2.15,0.101,1.23,0.482,0.264,good,2,0.5,0.5,4,17.875,2.66625,99.25,12.875,3.0,4.0,3.44,1.88,1.56,128,73,55,29,8,1.91,1.88,0.03,125.5,8.0,25,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,37.7,21.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNiTaO4,CoNiTaO4,trimetallic_oxide,3,"Co, Ni, O, Ta",-2.83,0.288,0.74,0.443,0.15,good,2,0.5714285714285714,0.4285714285714286,4,22.857142857142858,2.721428571428571,98.14285714285714,12.571428571428571,3.142857142857143,2.571428571428571,3.44,1.5,1.94,146,73,73,73,8,1.91,1.5,0.4099999999999999,131.66666666666666,5.999999999999999,18,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.5,52.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNiTa2O4,CoNiTa2O4,trimetallic_oxide,3,"Co, Ni, O, Ta",-2.44,0.005,1.31,0.59,0.359,good,2,0.5,0.5,4,29.125,2.56875,104.125,11.625,3.5,2.625,3.44,1.5,1.94,146,73,73,73,8,1.91,1.5,0.4099999999999999,135.25,5.25,18,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,62.6,17.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2NiTaO4,Co2NiTaO4,trimetallic_oxide,3,"Co, Ni, O, Ta",-2.49,0.327,1.25,0.352,0.236,good,2,0.5,0.5,4,23.375,2.61625,101.5,12.125,3.25,3.125,3.44,1.5,1.94,146,73,73,73,8,1.91,1.5,0.4099999999999999,130.0,6.25,18,8,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,52.8,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNiLaO4,CoNiLaO4,trimetallic_oxide,3,"Co, La, Ni, O",-2.61,0.085,1.45,0.133,0.256,good,2,0.5714285714285714,0.4285714285714286,4,20.57142857142857,2.664285714285714,104.0,12.285714285714285,3.142857142857143,2.2857142857142856,3.44,1.1,2.34,187,73,114,57,8,1.91,1.1,0.8099999999999998,145.33333333333331,5.333333333333333,16,8,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,30.0,13.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNiLa2O4,CoNiLa2O4,trimetallic_oxide,3,"Co, La, Ni, O",-2.32,0.12,1.31,0.476,0.26,good,2,0.5,0.5,4,25.125,2.46875,114.375,11.125,3.5,2.125,3.44,1.1,2.34,187,73,114,57,8,1.91,1.1,0.8099999999999998,155.75,4.25,16,8,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,20.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2NiLaO4,Co2NiLaO4,trimetallic_oxide,3,"Co, La, Ni, O",-2.51,0.099,1.18,0.365,0.307,good,2,0.5,0.5,4,21.375,2.56625,106.625,11.875,3.25,2.875,3.44,1.1,2.34,187,73,114,57,8,1.91,1.1,0.8099999999999998,140.25,5.75,16,8,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,True,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,19.7,5.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoCuHfO4,CoCuHfO4,trimetallic_oxide,3,"Co, Cu, Hf, O",-2.55,0.081,1.08,0.252,0.277,good,2,0.5714285714285714,0.4285714285714286,4,22.85714285714285,2.6914285714285717,100.57142857142856,12.571428571428571,3.142857142857143,2.714285714285714,3.44,1.3,2.14,159,73,86,72,8,1.9,1.3,0.5999999999999999,137.33333333333331,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,21.3,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoCuHf2O4,CoCuHf2O4,trimetallic_oxide,3,"Co, Cu, Hf, O",-2.1,0.113,0.87,0.297,0.287,good,2,0.5,0.5,4,29.0,2.5175,107.875,11.5,3.5,2.625,3.44,1.3,2.14,159,73,86,72,8,1.9,1.3,0.5999999999999999,142.75,5.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.7,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2CuHfO4,Co2CuHfO4,trimetallic_oxide,3,"Co, Cu, Hf, O",-2.74,0.001,0.64,0.225,0.282,good,2,0.5,0.5,4,23.375,2.59,103.625,12.125,3.25,3.25,3.44,1.3,2.14,159,73,86,72,8,1.9,1.3,0.5999999999999999,134.25,6.5,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,49.4,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoCuBiO4,CoCuBiO4,trimetallic_oxide,3,"Bi, Co, Cu, O",-2.28,0.044,1.06,0.36,0.215,good,2,0.5714285714285714,0.4285714285714286,4,24.428571428571427,2.794285714285714,98.28571428571428,14.142857142857142,3.142857142857143,3.8571428571428568,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,132.0,8.999999999999998,27,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,18.8,59.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoCuBi2O4,CoCuBi2O4,trimetallic_oxide,3,"Bi, Co, Cu, O",-3.02,0.14,1.53,0.356,0.15,excellent,3,0.5,0.5,4,31.75,2.6975,103.875,14.25,3.5,4.625,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,134.75,9.25,27,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,20.3,33.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2CuBiO4,Co2CuBiO4,trimetallic_oxide,3,"Bi, Co, Cu, O",-2.46,0.057,0.62,0.295,0.253,good,2,0.5,0.5,4,24.75,2.68,101.625,13.5,3.25,4.25,3.44,1.88,1.56,143,73,70,83,8,2.02,1.88,0.1400000000000001,130.25,8.5,27,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,32.6,30.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZnHfO4,CoZnHfO4,trimetallic_oxide,3,"Co, Hf, O, Zn",-4.07,0.019,1.38,0.265,0.181,excellent,3,0.5714285714285714,0.4285714285714286,4,23.0,2.655714285714285,101.42857142857144,12.714285714285714,3.142857142857143,2.714285714285714,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,139.33333333333331,6.333333333333332,19,10,0.2857142857142857,0.0,0.1428571428571428,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,27.0,13.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZnHf2O4,CoZnHf2O4,trimetallic_oxide,3,"Co, Hf, O, Zn",-3.55,0.004,1.04,0.256,0.328,excellent,3,0.5,0.5,4,29.125,2.48625,108.625,11.625,3.5,2.625,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,144.25,5.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,21.7,5.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2ZnHfO4,Co2ZnHfO4,trimetallic_oxide,3,"Co, Hf, O, Zn",-3.21,0.075,1.52,0.302,0.337,excellent,3,0.5,0.5,4,23.5,2.55875,104.375,12.25,3.25,3.25,3.44,1.3,2.14,159,73,86,72,8,1.88,1.3,0.5799999999999998,135.75,6.5,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,59.5,29.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZnBiO4,CoZnBiO4,trimetallic_oxide,3,"Bi, Co, O, Zn",-3.31,0.064,1.27,0.366,0.25,excellent,3,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.7585714285714285,99.14285714285714,14.285714285714285,3.142857142857143,3.8571428571428568,3.44,1.65,1.79,143,73,70,83,8,2.02,1.65,0.3700000000000001,134.0,8.999999999999998,27,10,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,5.0,15.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZnBi2O4,CoZnBi2O4,trimetallic_oxide,3,"Bi, Co, O, Zn",-2.82,0.023,0.94,0.265,0.314,good,2,0.5,0.5,4,31.875,2.66625,104.625,14.375,3.5,4.625,3.44,1.65,1.79,143,73,70,83,8,2.02,1.65,0.3700000000000001,136.25,9.25,27,10,0.25,0.0,0.25,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,45.1,61.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2ZnBiO4,Co2ZnBiO4,trimetallic_oxide,3,"Bi, Co, O, Zn",-2.89,0.221,1.18,0.239,0.373,good,2,0.5,0.5,4,24.875,2.64875,102.375,13.625,3.25,4.25,3.44,1.65,1.79,143,73,70,83,8,2.02,1.65,0.3700000000000001,131.75,8.5,27,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,7.1,41.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZrTaO4,CoZrTaO4,trimetallic_oxide,3,"Co, O, Ta, Zr",-2.25,0.017,0.93,0.325,0.293,good,2,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.6385714285714283,103.28571428571428,11.714285714285714,3.2857142857142856,1.7142857142857142,3.44,1.33,2.11,160,73,87,73,8,1.88,1.33,0.5499999999999998,143.66666666666666,4.0,12,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.1,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZrTa2O4,CoZrTa2O4,trimetallic_oxide,3,"Co, O, Ta, Zr",-3.28,0.24,1.25,0.261,0.289,excellent,3,0.5,0.5,4,30.625,2.49625,108.625,10.875,3.625,1.875,3.44,1.33,2.11,160,73,87,73,8,1.88,1.33,0.5499999999999998,144.25,3.75,12,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,45.3,16.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2ZrTaO4,Co2ZrTaO4,trimetallic_oxide,3,"Co, O, Ta, Zr",-3.01,0.188,1.08,0.252,0.35,good,2,0.5,0.5,4,24.875,2.54375,106.0,11.375,3.375,2.375,3.44,1.33,2.11,160,73,87,73,8,1.88,1.33,0.5499999999999998,139.0,4.75,12,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,61.4,55.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZrLaO4,CoZrLaO4,trimetallic_oxide,3,"Co, La, O, Zr",-2.97,0.076,1.2,0.319,0.351,good,2,0.5714285714285714,0.4285714285714286,4,22.285714285714285,2.581428571428571,109.14285714285714,11.428571428571429,3.2857142857142856,1.4285714285714286,3.44,1.1,2.34,187,73,114,57,8,1.88,1.1,0.7799999999999998,157.33333333333331,3.333333333333333,10,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,True,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,40.2,27.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoZrLa2O4,CoZrLa2O4,trimetallic_oxide,3,"Co, La, O, Zr",-2.21,0.132,0.66,0.489,0.415,good,2,0.5,0.5,4,26.625,2.39625,118.875,10.375,3.625,1.375,3.44,1.1,2.34,187,73,114,57,8,1.88,1.1,0.7799999999999998,164.75,2.75,10,7,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,True,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,46.6,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2ZrLaO4,Co2ZrLaO4,trimetallic_oxide,3,"Co, La, O, Zr",-2.85,0.25,0.99,0.26,0.366,good,2,0.5,0.5,4,22.875,2.49375,111.125,11.125,3.375,2.125,3.44,1.1,2.34,187,73,114,57,8,1.88,1.1,0.7799999999999998,149.25,4.25,10,7,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,52.7,21.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNbReO4,CoNbReO4,trimetallic_oxide,3,"Co, Nb, O, Re",-2.42,0.028,0.83,0.332,0.316,good,2,0.5714285714285714,0.4285714285714286,4,25.0,2.734285714285714,100.0,12.142857142857142,3.2857142857142856,2.2857142857142856,3.44,1.6,1.84,146,73,73,75,8,1.9,1.6,0.2999999999999998,136.0,5.333333333333332,16,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,29.1,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoNbRe2O4,CoNbRe2O4,trimetallic_oxide,3,"Co, Nb, O, Re",-2.49,0.013,1.35,0.296,0.352,good,2,0.5,0.5,4,31.25,2.63,104.625,11.5,3.625,2.625,3.44,1.6,1.84,146,73,73,75,8,1.9,1.6,0.2999999999999998,136.25,5.25,16,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.1,43.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2NbReO4,Co2NbReO4,trimetallic_oxide,3,"Co, Nb, O, Re",-4.04,0.082,0.92,0.258,0.335,excellent,3,0.5,0.5,4,25.25,2.6275,103.125,11.75,3.375,2.875,3.44,1.6,1.84,146,73,73,75,8,1.9,1.6,0.2999999999999998,133.25,5.75,16,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,62.1,50.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoMoRuO4,CoMoRuO4,trimetallic_oxide,3,"Co, Mo, O, Ru",-2.48,0.416,0.81,0.248,0.191,good,2,0.5714285714285714,0.4285714285714286,4,20.714285714285715,2.8571428571428568,98.57142857142856,12.428571428571429,3.1428571428571423,2.7142857142857144,3.44,1.88,1.56,139,73,66,44,8,2.2,1.88,0.3200000000000003,132.66666666666666,6.333333333333332,19,7,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,47.0,32.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoMoRu2O4,CoMoRu2O4,trimetallic_oxide,3,"Co, Mo, O, Ru",-2.54,0.141,1.14,0.311,0.285,good,2,0.5,0.5,4,23.625,2.775,103.0,11.875,3.375,3.25,3.44,1.88,1.56,139,73,66,44,8,2.2,1.88,0.3200000000000003,133.0,6.5,19,7,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,41.3,12.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2MoRuO4,Co2MoRuO4,trimetallic_oxide,3,"Co, Mo, O, Ru",-2.83,0.035,0.66,0.366,0.204,good,2,0.5,0.5,4,21.5,2.735,101.875,12.0,3.25,3.25,3.44,1.88,1.56,139,73,66,44,8,2.2,1.88,0.3200000000000003,130.75,6.5,19,7,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,30.3,31.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoMoPtO4,CoMoPtO4,trimetallic_oxide,3,"Co, Mo, O, Pt",-2.97,0.051,0.85,0.255,0.35,good,2,0.5714285714285714,0.4285714285714286,4,25.57142857142857,2.8685714285714283,99.28571428571428,12.714285714285714,3.2857142857142856,3.0,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,134.33333333333331,6.999999999999999,21,9,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,14.6,12.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoMoPt2O4,CoMoPt2O4,trimetallic_oxide,3,"Co, Mo, O, Pt",-3.18,0.027,0.89,0.445,0.156,good,2,0.5,0.5,4,32.125,2.795,104.25,12.375,3.625,3.75,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,135.5,7.5,21,9,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2MoPtO4,Co2MoPtO4,trimetallic_oxide,3,"Co, Mo, O, Pt",-3.0,0.106,1.21,0.299,0.277,good,2,0.5,0.5,4,25.75,2.745,102.5,12.25,3.375,3.5,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,132.0,7.0,21,9,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.8,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRuHfO4,CoRuHfO4,trimetallic_oxide,3,"Co, Hf, O, Ru",-3.21,0.363,1.3,0.312,0.451,excellent,3,0.5714285714285714,0.4285714285714286,4,25.0,2.734285714285714,101.42857142857144,12.142857142857142,3.2857142857142856,2.2857142857142856,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,139.33333333333331,5.333333333333333,16,7,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.0,22.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRuHf2O4,CoRuHf2O4,trimetallic_oxide,3,"Co, Hf, O, Ru",-3.81,0.055,1.01,0.425,0.414,excellent,3,0.5,0.5,4,30.875,2.555,108.625,11.125,3.625,2.25,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,144.25,4.5,16,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,51.0,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2RuHfO4,Co2RuHfO4,trimetallic_oxide,3,"Co, Hf, O, Ru",-3.24,0.252,1.57,0.274,0.32,excellent,3,0.5,0.5,4,25.25,2.6275,104.375,11.75,3.375,2.875,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,135.75,5.75,16,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,39.2,18.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRuBiO4,CoRuBiO4,trimetallic_oxide,3,"Bi, Co, O, Ru",-2.44,0.012,1.19,0.296,0.173,good,2,0.5714285714285714,0.4285714285714286,4,26.57142857142857,2.8371428571428567,99.14285714285714,13.714285714285714,3.2857142857142856,3.4285714285714284,3.44,1.88,1.56,143,73,70,83,8,2.2,1.88,0.3200000000000003,134.0,7.999999999999998,24,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,24.6,54.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRuBi2O4,CoRuBi2O4,trimetallic_oxide,3,"Bi, Co, O, Ru",-2.58,0.129,1.08,0.476,0.272,good,2,0.5,0.5,4,33.625,2.735,104.625,13.875,3.625,4.25,3.44,1.88,1.56,143,73,70,83,8,2.2,1.88,0.3200000000000003,136.25,8.5,24,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,59.7,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2RuBiO4,Co2RuBiO4,trimetallic_oxide,3,"Bi, Co, O, Ru",-2.43,0.212,0.45,0.493,0.279,good,2,0.5,0.5,4,26.625,2.7175,102.375,13.125,3.375,3.875,3.44,1.88,1.56,143,73,70,83,8,2.2,1.88,0.3200000000000003,131.75,7.75,24,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,18.3,25.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRhIrO4,CoRhIrO4,trimetallic_oxide,3,"Co, Ir, O, Rh",-2.67,0.312,1.02,0.274,0.246,good,2,0.5714285714285714,0.4285714285714286,4,25.85714285714285,2.874285714285714,98.14285714285714,13.0,3.2857142857142856,3.142857142857143,3.44,1.88,1.56,136,73,63,77,8,2.28,1.88,0.3999999999999999,131.66666666666666,7.333333333333332,22,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,42.2,15.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRhIr2O4,CoRhIr2O4,trimetallic_oxide,3,"Co, Ir, O, Rh",-2.42,0.006,0.53,0.281,0.209,good,2,0.5,0.5,4,32.25,2.79,102.875,12.5,3.625,3.625,3.44,1.88,1.56,136,73,63,77,8,2.28,1.88,0.3999999999999999,132.75,7.25,22,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.0,14.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2RhIrO4,Co2RhIrO4,trimetallic_oxide,3,"Co, Ir, O, Rh",-3.35,0.208,1.44,0.249,0.328,excellent,3,0.5,0.5,4,26.0,2.75,101.5,12.5,3.375,3.625,3.44,1.88,1.56,136,73,63,77,8,2.28,1.88,0.3999999999999999,130.0,7.25,22,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,23.7,47.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoPdTaO4,CoPdTaO4,trimetallic_oxide,3,"Co, O, Pd, Ta",-2.42,0.116,1.24,0.328,0.252,good,2,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.7628571428571425,100.0,12.571428571428571,3.2857142857142856,2.8571428571428568,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,136.0,6.666666666666665,20,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,20.8,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoPdTa2O4,CoPdTa2O4,trimetallic_oxide,3,"Co, O, Pd, Ta",-3.6,0.036,1.36,0.301,0.308,excellent,3,0.5,0.5,4,31.375,2.605,105.75,11.625,3.625,2.875,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,138.5,5.75,20,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2PdTaO4,Co2PdTaO4,trimetallic_oxide,3,"Co, O, Pd, Ta",-3.18,0.109,0.98,0.287,0.239,good,2,0.5,0.5,4,25.625,2.6525,103.125,12.125,3.375,3.375,3.44,1.5,1.94,146,73,73,73,8,2.2,1.5,0.7000000000000002,133.25,6.75,20,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,43.2,22.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoPdLaO4,CoPdLaO4,trimetallic_oxide,3,"Co, La, O, Pd",-2.37,0.301,0.72,0.373,0.303,good,2,0.5714285714285714,0.4285714285714286,4,23.142857142857142,2.705714285714285,105.85714285714286,12.285714285714285,3.2857142857142856,2.571428571428571,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,149.66666666666663,5.999999999999999,18,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,True,False,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,21.4,26.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoPdLa2O4,CoPdLa2O4,trimetallic_oxide,3,"Co, La, O, Pd",-2.34,0.071,1.39,0.311,0.255,good,2,0.5,0.5,4,27.375,2.505,116.0,11.125,3.625,2.375,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,159.0,4.75,18,10,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,True,False,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,43.5,15.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2PdLaO4,Co2PdLaO4,trimetallic_oxide,3,"Co, La, O, Pd",-2.68,0.26,0.88,0.381,0.349,good,2,0.5,0.5,4,23.625,2.6025,108.25,11.875,3.375,3.125,3.44,1.1,2.34,187,73,114,57,8,2.2,1.1,1.1,143.5,6.25,18,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,False,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,59.9,42.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoAgAlO4,CoAgAlO4,trimetallic_oxide,3,"Ag, Al, Co, O",-2.97,0.154,1.13,0.249,0.182,good,2,0.5714285714285714,0.4285714285714286,4,17.0,2.74,97.0,13.857142857142856,2.8571428571428568,2.4285714285714284,3.44,1.61,1.83,144,73,71,47,8,1.93,1.61,0.3199999999999998,129.0,5.666666666666666,17,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,55.2,24.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoAgAl2O4,CoAgAl2O4,trimetallic_oxide,3,"Ag, Al, Co, O",-2.6,0.008,1.27,0.264,0.266,good,2,0.5,0.5,4,16.5,2.59875,99.625,13.75,2.875,2.125,3.44,1.61,1.83,144,73,71,47,8,1.93,1.61,0.3199999999999998,126.25,4.25,17,10,0.375,0.125,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.9,39.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2AgAlO4,Co2AgAlO4,trimetallic_oxide,3,"Ag, Al, Co, O",-2.89,0.144,1.33,0.317,0.196,good,2,0.5,0.5,4,18.25,2.6325,100.5,13.25,3.0,3.0,3.44,1.61,1.83,144,73,71,47,8,1.93,1.61,0.3199999999999998,128.0,6.0,17,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,30.1,57.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoHfPtO4,CoHfPtO4,trimetallic_oxide,3,"Co, Hf, O, Pt",-2.67,0.164,1.33,0.276,0.25,good,2,0.5714285714285714,0.4285714285714286,4,29.85714285714285,2.7457142857142856,102.14285714285714,12.428571428571429,3.4285714285714284,2.571428571428571,3.44,1.3,2.14,159,73,86,78,8,2.28,1.3,0.9799999999999998,141.0,5.999999999999999,18,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,65.8,31.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoHfPt2O4,CoHfPt2O4,trimetallic_oxide,3,"Co, Hf, O, Pt",-2.74,0.563,1.28,0.388,0.256,good,2,0.5,0.5,4,35.875,2.6875,106.75,12.125,3.75,3.375,3.44,1.3,2.14,159,73,86,78,8,2.28,1.3,0.9799999999999998,140.5,6.75,18,9,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.3,34.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2HfPtO4,Co2HfPtO4,trimetallic_oxide,3,"Co, Hf, O, Pt",-3.64,0.01,1.13,0.305,0.15,excellent,3,0.5,0.5,4,29.5,2.6375,105.0,12.0,3.5,3.125,3.44,1.3,2.14,159,73,86,78,8,2.28,1.3,0.9799999999999998,137.0,6.25,18,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,55.9,26.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoTaIrO4,CoTaIrO4,trimetallic_oxide,3,"Co, Ir, O, Ta",-3.15,0.235,0.86,0.262,0.262,good,2,0.5714285714285714,0.4285714285714286,4,29.857142857142858,2.7628571428571425,99.85714285714286,12.428571428571429,3.4285714285714284,2.4285714285714284,3.44,1.5,1.94,146,73,73,77,8,2.2,1.5,0.7000000000000002,135.66666666666666,5.666666666666666,17,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,23.0,35.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoTaIr2O4,CoTaIr2O4,trimetallic_oxide,3,"Co, Ir, O, Ta",-2.89,0.205,0.45,0.391,0.319,good,2,0.5,0.5,4,35.75,2.6925,104.375,12.0,3.75,3.0,3.44,1.5,1.94,146,73,73,77,8,2.2,1.5,0.7000000000000002,135.75,6.0,17,7,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.5,23.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2TaIrO4,Co2TaIrO4,trimetallic_oxide,3,"Co, Ir, O, Ta",-2.6,0.932,1.17,0.346,0.322,good,2,0.5,0.5,4,29.5,2.6525,103.0,12.0,3.5,3.0,3.44,1.5,1.94,146,73,73,77,8,2.2,1.5,0.7000000000000002,133.0,6.0,17,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,16.1,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoWIrO4,CoWIrO4,trimetallic_oxide,3,"Co, Ir, O, W",-2.18,0.102,0.7,0.325,0.349,good,2,0.5714285714285714,0.4285714285714286,4,30.0,2.885714285714285,98.85714285714286,12.571428571428571,3.4285714285714284,2.571428571428571,3.44,1.88,1.56,139,73,66,77,8,2.36,1.88,0.48,133.33333333333331,5.999999999999999,18,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.3,15.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoWIr2O4,CoWIr2O4,trimetallic_oxide,3,"Co, Ir, O, W",-3.28,0.03,0.81,0.264,0.309,good,2,0.5,0.5,4,35.875,2.8,103.5,12.125,3.75,3.125,3.44,1.88,1.56,139,73,66,77,8,2.36,1.88,0.48,134.0,6.25,18,7,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.5,20.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2WIrO4,Co2WIrO4,trimetallic_oxide,3,"Co, Ir, O, W",-3.19,0.126,1.18,0.233,0.216,excellent,3,0.5,0.5,4,29.625,2.76,102.125,12.125,3.5,3.125,3.44,1.88,1.56,139,73,66,77,8,2.36,1.88,0.48,131.25,6.25,18,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,53.4,30.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRePtO4,CoRePtO4,trimetallic_oxide,3,"Co, O, Pt, Re",-3.16,0.002,0.99,0.127,0.21,good,2,0.5714285714285714,0.4285714285714286,4,30.285714285714285,2.831428571428571,99.0,12.857142857142856,3.4285714285714284,3.0,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,133.66666666666666,6.999999999999999,21,9,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,19.0,33.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoRePt2O4,CoRePt2O4,trimetallic_oxide,3,"Co, O, Pt, Re",-3.09,0.042,0.6,0.238,0.238,good,2,0.5,0.5,4,36.25,2.7625,104.0,12.5,3.75,3.75,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,135.0,7.5,21,9,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,40.0,16.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2RePtO4,Co2RePtO4,trimetallic_oxide,3,"Co, O, Pt, Re",-2.78,0.04,0.9,0.125,0.384,good,2,0.5,0.5,4,29.875,2.7125,102.25,12.375,3.5,3.5,3.44,1.88,1.56,139,73,66,78,8,2.28,1.88,0.3999999999999999,131.5,7.0,21,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.5,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoOsAlO4,CoOsAlO4,trimetallic_oxide,3,"Al, Co, O, Os",-2.58,0.057,0.85,0.269,0.295,good,2,0.5714285714285714,0.4285714285714286,4,21.142857142857142,2.7785714285714285,95.71428571428572,13.428571428571429,3.0,1.8571428571428568,3.44,1.61,1.83,135,73,62,76,8,2.2,1.61,0.5900000000000001,126.0,4.333333333333333,13,7,0.2857142857142857,0.0,0.1428571428571428,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,57.7,24.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoOsAl2O4,CoOsAl2O4,trimetallic_oxide,3,"Al, Co, O, Os",-3.42,0.012,1.12,0.278,0.352,excellent,3,0.5,0.5,4,20.125,2.6325,98.5,13.375,3.0,1.625,3.44,1.61,1.83,135,73,62,76,8,2.2,1.61,0.5900000000000001,124.0,3.25,13,7,0.375,0.0,0.125,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,35.8,34.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2OsAlO4,Co2OsAlO4,trimetallic_oxide,3,"Al, Co, O, Os",-2.27,0.052,0.72,0.286,0.251,good,2,0.5,0.5,4,21.875,2.66625,99.375,12.875,3.125,2.5,3.44,1.61,1.83,135,73,62,76,8,2.2,1.61,0.5900000000000001,125.75,5.0,13,7,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,43.3,36.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoIrLaO4,CoIrLaO4,trimetallic_oxide,3,"Co, Ir, La, O",-3.1,0.064,1.58,0.348,0.366,excellent,3,0.5714285714285714,0.4285714285714286,4,27.57142857142857,2.705714285714285,105.71428571428572,12.142857142857142,3.4285714285714284,2.142857142857143,3.44,1.1,2.34,187,73,114,77,8,2.2,1.1,1.1,149.33333333333331,4.999999999999999,15,7,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.1428571428571428,True,False,True,True,False,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,22.5,22.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoIrLa2O4,CoIrLa2O4,trimetallic_oxide,3,"Co, Ir, La, O",-2.99,0.036,1.24,0.39,0.423,good,2,0.5,0.5,4,31.25,2.505,115.875,11.0,3.75,2.0,3.44,1.1,2.34,187,73,114,77,8,2.2,1.1,1.1,158.75,4.0,15,7,0.125,0.0,0.375,0.0,0,0,0.25,True,False,True,True,False,False,False,False,True,Triclinic,0,0,0,0,0,0,1,54.3,49.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2IrLaO4,Co2IrLaO4,trimetallic_oxide,3,"Co, Ir, La, O",-3.18,0.022,1.11,0.17,0.358,good,2,0.5,0.5,4,27.5,2.6025,108.125,11.75,3.5,2.75,3.44,1.1,2.34,187,73,114,77,8,2.2,1.1,1.1,143.25,5.5,15,7,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,True,False,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,39.4,45.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoAuBiO4,CoAuBiO4,trimetallic_oxide,3,"Au, Bi, Co, O",-2.83,0.023,0.54,0.267,0.206,good,2,0.5714285714285714,0.4285714285714286,4,31.57142857142857,2.885714285714285,100.57142857142856,14.142857142857142,3.4285714285714284,3.8571428571428568,3.44,1.88,1.56,144,73,71,83,8,2.54,1.88,0.6600000000000001,137.33333333333331,8.999999999999998,27,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,46.4,13.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoAuBi2O4,CoAuBi2O4,trimetallic_oxide,3,"Au, Bi, Co, O",-2.33,0.563,1.16,0.332,0.282,good,2,0.5,0.5,4,38.0,2.7775,105.875,14.25,3.75,4.625,3.44,1.88,1.56,144,73,71,83,8,2.54,1.88,0.6600000000000001,138.75,9.25,27,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,37.7,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2AuBiO4,Co2AuBiO4,trimetallic_oxide,3,"Au, Bi, Co, O",-2.74,0.488,0.6,0.247,0.175,good,2,0.5,0.5,4,31.0,2.76,103.625,13.5,3.5,4.25,3.44,1.88,1.56,144,73,71,83,8,2.54,1.88,0.6600000000000001,134.25,8.5,27,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,14.9,26.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoBiLaO4,CoBiLaO4,trimetallic_oxide,3,"Bi, Co, La, O",-3.18,0.115,1.51,0.329,0.297,excellent,3,0.5714285714285714,0.4285714285714286,4,28.428571428571427,2.68,106.71428571428572,13.0,3.4285714285714284,2.571428571428571,3.44,1.1,2.34,187,73,114,83,8,2.02,1.1,0.92,151.66666666666663,5.999999999999999,18,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.1428571428571428,True,False,True,True,False,True,False,False,True,Monoclinic,0,0,0,0,1,0,0,50.5,39.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CoBiLa2O4,CoBiLa2O4,trimetallic_oxide,3,"Bi, Co, La, O",-2.45,0.049,1.12,0.329,0.242,good,2,0.5,0.5,4,32.0,2.4825,116.75,11.75,3.75,2.375,3.44,1.1,2.34,187,73,114,83,8,2.02,1.1,0.92,160.5,4.75,18,10,0.125,0.0,0.375,0.125,0,0,0.25,True,False,True,True,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,51.4,42.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Co2BiLaO4,Co2BiLaO4,trimetallic_oxide,3,"Bi, Co, La, O",-2.25,0.266,1.3,0.261,0.381,good,2,0.5,0.5,4,28.25,2.58,109.0,12.5,3.5,3.125,3.44,1.1,2.34,187,73,114,83,8,2.02,1.1,0.92,145.0,6.25,18,10,0.25,0.0,0.25,0.125,0,0,0.125,True,False,True,True,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,50.5,32.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiCuAgO4,NiCuAgO4,trimetallic_oxide,3,"Ag, Cu, Ni, O",-2.65,0.831,0.52,0.294,0.274,good,2,0.5714285714285714,0.4285714285714286,4,19.428571428571427,2.7857142857142856,98.28571428571428,13.714285714285714,3.0,4.0,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,131.99999999999997,9.333333333333332,28,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.0,45.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiCuAg2O4,NiCuAg2O4,trimetallic_oxide,3,"Ag, Cu, Ni, O",-2.32,0.05,0.85,0.419,0.238,good,2,0.5,0.5,4,22.875,2.67875,104.0,13.375,3.25,4.75,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,135.0,9.5,28,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,43.1,45.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2CuAgO4,Ni2CuAgO4,trimetallic_oxide,3,"Ag, Cu, Ni, O",-2.78,0.295,0.73,0.293,0.281,good,2,0.5,0.5,4,20.5,2.67625,101.5,13.25,3.125,4.5,3.44,1.9,1.54,144,73,71,47,8,1.93,1.9,0.03,130.0,9.0,28,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.6,6.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiCuSnO4,NiCuSnO4,trimetallic_oxide,3,"Cu, Ni, O, Sn",-2.74,0.077,1.17,0.211,0.343,good,2,0.5714285714285714,0.4285714285714286,4,19.85714285714285,2.79,98.42857142857142,14.142857142857142,3.0,4.0,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,132.33333333333331,9.333333333333332,28,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,46.8,37.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiCuSn2O4,NiCuSn2O4,trimetallic_oxide,3,"Cu, Ni, O, Sn",-2.91,0.21,0.17,0.243,0.289,good,2,0.5,0.5,4,23.625,2.68625,104.25,14.125,3.25,4.75,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,135.5,9.5,28,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,55.2,25.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2CuSnO4,Ni2CuSnO4,trimetallic_oxide,3,"Cu, Ni, O, Sn",-2.65,0.033,0.93,0.373,0.224,good,2,0.5,0.5,4,20.875,2.68,101.625,13.625,3.125,4.5,3.44,1.9,1.54,145,73,72,50,8,1.96,1.9,0.06,130.25,9.0,28,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,38.7,37.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZnAgO4,NiZnAgO4,trimetallic_oxide,3,"Ag, Ni, O, Zn",-2.38,0.178,1.77,0.293,0.262,good,2,0.5714285714285714,0.4285714285714286,4,19.57142857142857,2.75,99.14285714285714,13.857142857142856,3.0,4.0,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,133.99999999999997,9.333333333333332,28,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,52.5,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZnAg2O4,NiZnAg2O4,trimetallic_oxide,3,"Ag, Ni, O, Zn",-2.45,0.009,0.94,0.19,0.322,good,2,0.5,0.5,4,23.0,2.6475,104.75,13.5,3.25,4.75,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,136.5,9.5,28,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.4,19.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2ZnAgO4,Ni2ZnAgO4,trimetallic_oxide,3,"Ag, Ni, O, Zn",-2.81,0.123,0.69,0.28,0.338,good,2,0.5,0.5,4,20.625,2.645,102.25,13.375,3.125,4.5,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,131.5,9.0,28,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,35.7,55.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZnSnO4,NiZnSnO4,trimetallic_oxide,3,"Ni, O, Sn, Zn",-2.89,0.365,0.97,0.3,0.267,good,2,0.5714285714285714,0.4285714285714286,4,20.0,2.754285714285714,99.28571428571428,14.285714285714285,3.0,4.0,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,134.33333333333331,9.333333333333332,28,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.6,23.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZnSn2O4,NiZnSn2O4,trimetallic_oxide,3,"Ni, O, Sn, Zn",-2.91,0.103,0.61,0.212,0.24,good,2,0.5,0.5,4,23.75,2.655,105.0,14.25,3.25,4.75,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,137.0,9.5,28,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.0,14.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2ZnSnO4,Ni2ZnSnO4,trimetallic_oxide,3,"Ni, O, Sn, Zn",-2.78,0.118,1.4,0.501,0.199,good,2,0.5,0.5,4,21.0,2.64875,102.375,13.75,3.125,4.5,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,131.75,9.0,28,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,22.6,30.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZrHfO4,NiZrHfO4,trimetallic_oxide,3,"Hf, Ni, O, Zr",-2.77,0.344,1.78,0.36,0.298,good,2,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.614285714285714,105.0,11.714285714285714,3.2857142857142856,1.7142857142857142,3.44,1.3,2.14,160,73,87,72,8,1.91,1.3,0.6099999999999999,147.66666666666663,4.0,12,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.6,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZrHf2O4,NiZrHf2O4,trimetallic_oxide,3,"Hf, Ni, O, Zr",-3.04,0.01,1.34,0.335,0.361,good,2,0.5,0.5,4,30.5,2.45,111.75,10.75,3.625,1.75,3.44,1.3,2.14,160,73,87,72,8,1.91,1.3,0.6099999999999999,150.5,3.5,12,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,50.9,29.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2ZrHfO4,Ni2ZrHfO4,trimetallic_oxide,3,"Hf, Ni, O, Zr",-2.84,0.081,1.24,0.392,0.248,good,2,0.5,0.5,4,25.0,2.52625,107.375,11.5,3.375,2.5,3.44,1.3,2.14,160,73,87,72,8,1.91,1.3,0.6099999999999999,141.75,5.0,12,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,52.0,10.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZrBiO4,NiZrBiO4,trimetallic_oxide,3,"Bi, Ni, O, Zr",-3.03,0.137,1.01,0.306,0.3,good,2,0.5714285714285714,0.4285714285714286,4,26.14285714285714,2.717142857142857,102.71428571428572,13.285714285714285,3.2857142857142856,2.8571428571428568,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,142.33333333333331,6.666666666666666,20,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,17.1,34.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiZrBi2O4,NiZrBi2O4,trimetallic_oxide,3,"Bi, Ni, O, Zr",-2.77,0.282,0.53,0.399,0.262,good,2,0.5,0.5,4,33.25,2.63,107.75,13.5,3.625,3.75,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,142.5,7.5,20,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,22.2,49.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2ZrBiO4,Ni2ZrBiO4,trimetallic_oxide,3,"Bi, Ni, O, Zr",-3.21,0.006,0.8,0.246,0.233,good,2,0.5,0.5,4,26.375,2.61625,105.375,12.875,3.375,3.5,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,137.75,7.0,20,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,38.0,47.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiNbWO4,NiNbWO4,trimetallic_oxide,3,"Nb, Ni, O, W",-2.64,0.105,0.92,0.336,0.398,good,2,0.5714285714285714,0.4285714285714286,4,25.0,2.8042857142857143,100.14285714285714,12.142857142857142,3.2857142857142856,2.2857142857142856,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,136.33333333333331,5.333333333333333,16,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.9,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiNbW2O4,NiNbW2O4,trimetallic_oxide,3,"Nb, Ni, O, W",-3.0,0.007,1.19,0.411,0.284,good,2,0.5,0.5,4,31.125,2.74875,105.0,11.375,3.625,2.5,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,137.0,5.0,16,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2NbWO4,Ni2NbWO4,trimetallic_oxide,3,"Nb, Ni, O, W",-2.04,0.13,1.22,0.665,0.271,good,2,0.5,0.5,4,25.375,2.6925,103.125,11.875,3.375,3.0,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,133.25,6.0,16,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.8,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiNbCeO4,NiNbCeO4,trimetallic_oxide,3,"Ce, Nb, Ni, O",-1.85,0.204,0.99,0.409,0.267,good,2,0.5714285714285714,0.4285714285714286,4,22.71428571428571,2.627142857142857,106.28571428571428,11.714285714285714,3.2857142857142856,1.857142857142857,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,150.66666666666666,4.333333333333333,13,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,True,True,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,37.8,42.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiNbCe2O4,NiNbCe2O4,trimetallic_oxide,3,"Ce, Nb, Ni, O",-3.1,0.153,1.62,0.348,0.223,excellent,3,0.5,0.5,4,27.125,2.43875,115.75,10.625,3.625,1.75,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,158.5,3.5,13,8,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,True,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,37.2,56.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2NbCeO4,Ni2NbCeO4,trimetallic_oxide,3,"Ce, Nb, Ni, O",-1.97,0.136,1.29,0.347,0.33,good,2,0.5,0.5,4,23.375,2.5375,108.5,11.5,3.375,2.625,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,144.0,5.25,13,8,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,66.8,49.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiMoIrO4,NiMoIrO4,trimetallic_oxide,3,"Ir, Mo, Ni, O",-3.62,0.007,1.17,0.253,0.401,excellent,3,0.5714285714285714,0.4285714285714286,4,25.57142857142857,2.861428571428571,98.71428571428572,12.714285714285714,3.2857142857142856,2.8571428571428568,3.44,1.91,1.53,139,73,66,77,8,2.2,1.91,0.2900000000000002,132.99999999999997,6.666666666666666,20,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,53.5,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiMoIr2O4,NiMoIr2O4,trimetallic_oxide,3,"Ir, Mo, Ni, O",-3.05,0.083,0.78,0.157,0.227,good,2,0.5,0.5,4,32.0,2.77875,103.375,12.25,3.625,3.375,3.44,1.91,1.53,139,73,66,77,8,2.2,1.91,0.2900000000000002,133.75,6.75,20,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,22.3,56.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2MoIrO4,Ni2MoIrO4,trimetallic_oxide,3,"Ir, Mo, Ni, O",-3.39,0.025,0.94,0.367,0.313,excellent,3,0.5,0.5,4,25.875,2.7425,101.875,12.375,3.375,3.5,3.44,1.91,1.53,139,73,66,77,8,2.2,1.91,0.2900000000000002,130.75,7.0,20,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,42.8,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiRuAgO4,NiRuAgO4,trimetallic_oxide,3,"Ag, Ni, O, Ru",-3.83,0.503,1.12,0.28,0.235,excellent,3,0.5714285714285714,0.4285714285714286,4,21.57142857142857,2.8285714285714283,99.14285714285714,13.285714285714285,3.1428571428571423,3.571428571428571,3.44,1.91,1.53,144,73,71,47,8,2.2,1.91,0.2900000000000002,133.99999999999997,8.333333333333332,25,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.7,45.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiRuAg2O4,NiRuAg2O4,trimetallic_oxide,3,"Ag, Ni, O, Ru",-3.49,0.019,0.77,0.384,0.241,excellent,3,0.5,0.5,4,24.75,2.71625,104.75,13.0,3.375,4.375,3.44,1.91,1.53,144,73,71,47,8,2.2,1.91,0.2900000000000002,136.5,8.75,25,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,12.0,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2RuAgO4,Ni2RuAgO4,trimetallic_oxide,3,"Ag, Ni, O, Ru",-2.63,0.053,0.69,0.365,0.213,good,2,0.5,0.5,4,22.375,2.71375,102.25,12.875,3.25,4.125,3.44,1.91,1.53,144,73,71,47,8,2.2,1.91,0.2900000000000002,131.5,8.25,25,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,35.7,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiRuSnO4,NiRuSnO4,trimetallic_oxide,3,"Ni, O, Ru, Sn",-2.47,0.198,0.56,0.231,0.267,good,2,0.5714285714285714,0.4285714285714286,4,22.0,2.8328571428571427,99.28571428571428,13.714285714285714,3.1428571428571423,3.571428571428571,3.44,1.91,1.53,145,73,72,50,8,2.2,1.91,0.2900000000000002,134.33333333333331,8.333333333333332,25,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.9,40.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiRuSn2O4,NiRuSn2O4,trimetallic_oxide,3,"Ni, O, Ru, Sn",-2.67,0.325,0.8,0.268,0.313,good,2,0.5,0.5,4,25.5,2.72375,105.0,13.75,3.375,4.375,3.44,1.91,1.53,145,73,72,50,8,2.2,1.91,0.2900000000000002,137.0,8.75,25,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,33.7,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2RuSnO4,Ni2RuSnO4,trimetallic_oxide,3,"Ni, O, Ru, Sn",-3.51,0.173,1.58,0.338,0.247,excellent,3,0.5,0.5,4,22.75,2.7175,102.375,13.25,3.25,4.125,3.44,1.91,1.53,145,73,72,50,8,2.2,1.91,0.2900000000000002,131.75,8.25,25,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,42.3,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiRhOsO4,NiRhOsO4,trimetallic_oxide,3,"Ni, O, Os, Rh",-3.33,0.09,0.56,0.274,0.22,good,2,0.5714285714285714,0.4285714285714286,4,25.85714285714285,2.878571428571428,97.85714285714286,13.0,3.2857142857142856,3.142857142857143,3.44,1.91,1.53,135,73,62,76,8,2.28,1.91,0.3699999999999999,130.99999999999997,7.333333333333333,22,8,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.5,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiRhOs2O4,NiRhOs2O4,trimetallic_oxide,3,"Ni, O, Os, Rh",-2.79,0.044,0.0,0.325,0.29,good,2,0.5,0.5,4,32.125,2.79375,102.5,12.375,3.625,3.5,3.44,1.91,1.53,135,73,62,76,8,2.28,1.91,0.3699999999999999,132.0,7.0,22,8,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,15.5,9.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2RhOsO4,Ni2RhOsO4,trimetallic_oxide,3,"Ni, O, Os, Rh",-3.35,0.076,0.96,0.377,0.205,excellent,3,0.5,0.5,4,26.125,2.7575,101.125,12.625,3.375,3.75,3.44,1.91,1.53,135,73,62,76,8,2.28,1.91,0.3699999999999999,129.25,7.5,22,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.5,6.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiPdHfO4,NiPdHfO4,trimetallic_oxide,3,"Hf, Ni, O, Pd",-3.32,0.079,1.05,0.251,0.239,excellent,3,0.5714285714285714,0.4285714285714286,4,25.428571428571427,2.7385714285714284,101.71428571428572,12.571428571428571,3.2857142857142856,2.8571428571428568,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,139.99999999999997,6.666666666666666,20,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,78.9,16.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiPdHf2O4,NiPdHf2O4,trimetallic_oxide,3,"Hf, Ni, O, Pd",-3.79,0.027,0.97,0.275,0.266,excellent,3,0.5,0.5,4,31.25,2.55875,108.875,11.5,3.625,2.75,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,144.75,5.5,20,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.3,16.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2PdHfO4,Ni2PdHfO4,trimetallic_oxide,3,"Hf, Ni, O, Pd",-3.0,0.356,1.18,0.171,0.206,good,2,0.5,0.5,4,25.75,2.635,104.5,12.25,3.375,3.5,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,136.0,7.0,20,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,54.0,15.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiPdBiO4,NiPdBiO4,trimetallic_oxide,3,"Bi, Ni, O, Pd",-2.83,0.028,0.75,0.362,0.226,good,2,0.5714285714285714,0.4285714285714286,4,27.0,2.841428571428571,99.42857142857142,14.142857142857142,3.2857142857142856,4.0,3.44,1.91,1.53,143,73,70,83,8,2.2,1.91,0.2900000000000002,134.66666666666663,9.333333333333332,28,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.1,20.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiPdBi2O4,NiPdBi2O4,trimetallic_oxide,3,"Bi, Ni, O, Pd",-3.04,0.039,0.8,0.298,0.297,good,2,0.5,0.5,4,34.0,2.73875,104.875,14.25,3.625,4.75,3.44,1.91,1.53,143,73,70,83,8,2.2,1.91,0.2900000000000002,136.75,9.5,28,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,23.0,45.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2PdBiO4,Ni2PdBiO4,trimetallic_oxide,3,"Bi, Ni, O, Pd",-3.36,0.629,1.25,0.224,0.2,excellent,3,0.5,0.5,4,27.125,2.725,102.5,13.625,3.375,4.5,3.44,1.91,1.53,143,73,70,83,8,2.2,1.91,0.2900000000000002,132.0,9.0,28,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.1,24.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiAgAuO4,NiAgAuO4,trimetallic_oxide,3,"Ag, Au, Ni, O",-2.57,0.146,0.94,0.375,0.277,good,2,0.5714285714285714,0.4285714285714286,4,26.57142857142857,2.877142857142857,100.57142857142856,13.714285714285714,3.2857142857142856,4.0,3.44,1.91,1.53,144,73,71,79,8,2.54,1.91,0.6300000000000001,137.33333333333331,9.333333333333332,28,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.2,45.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiAgAu2O4,NiAgAu2O4,trimetallic_oxide,3,"Ag, Au, Ni, O",-3.33,0.001,0.7,0.394,0.311,good,2,0.5,0.5,4,33.125,2.835,106.0,13.375,3.625,4.75,3.44,1.91,1.53,144,73,71,79,8,2.54,1.91,0.6300000000000001,139.0,9.5,28,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,16.2,10.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2AgAuO4,Ni2AgAuO4,trimetallic_oxide,3,"Ag, Au, Ni, O",-2.78,0.215,1.46,0.362,0.319,good,2,0.5,0.5,4,26.75,2.75625,103.5,13.25,3.375,4.5,3.44,1.91,1.53,144,73,71,79,8,2.54,1.91,0.6300000000000001,134.0,9.0,28,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,53.5,38.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiHfIrO4,NiHfIrO4,trimetallic_oxide,3,"Hf, Ir, Ni, O",-3.14,0.036,1.03,0.38,0.303,good,2,0.5714285714285714,0.4285714285714286,4,29.85714285714285,2.7385714285714284,101.57142857142856,12.428571428571429,3.4285714285714284,2.4285714285714284,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,139.66666666666663,5.666666666666666,17,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,25.2,25.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiHfIr2O4,NiHfIr2O4,trimetallic_oxide,3,"Hf, Ir, Ni, O",-2.72,0.145,1.34,0.398,0.219,good,2,0.5,0.5,4,35.75,2.67125,105.875,12.0,3.75,3.0,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,138.75,6.0,17,8,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,58.7,31.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2HfIrO4,Ni2HfIrO4,trimetallic_oxide,3,"Hf, Ir, Ni, O",-2.4,0.08,0.88,0.463,0.266,good,2,0.5,0.5,4,29.625,2.635,104.375,12.125,3.5,3.125,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,135.75,6.25,17,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiTaOsO4,NiTaOsO4,trimetallic_oxide,3,"Ni, O, Os, Ta",-3.25,0.104,1.6,0.304,0.227,excellent,3,0.5714285714285714,0.4285714285714286,4,29.85714285714285,2.767142857142857,99.57142857142856,12.428571428571429,3.4285714285714284,2.4285714285714284,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,134.99999999999997,5.666666666666666,17,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,53.4,27.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiTaOs2O4,NiTaOs2O4,trimetallic_oxide,3,"Ni, O, Os, Ta",-3.38,0.055,1.06,0.172,0.2,excellent,3,0.5,0.5,4,35.625,2.69625,104.0,11.875,3.75,2.875,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,135.0,5.75,17,8,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,16.2,34.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2TaOsO4,Ni2TaOsO4,trimetallic_oxide,3,"Ni, O, Os, Ta",-2.53,0.19,0.97,0.433,0.303,good,2,0.5,0.5,4,29.625,2.66,102.625,12.125,3.5,3.125,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,132.25,6.25,17,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,26.6,30.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiWOsO4,NiWOsO4,trimetallic_oxide,3,"Ni, O, Os, W",-2.86,0.121,1.06,0.32,0.391,good,2,0.5714285714285714,0.4285714285714286,4,30.0,2.89,98.57142857142856,12.571428571428571,3.4285714285714284,2.571428571428571,3.44,1.91,1.53,139,73,66,76,8,2.36,1.91,0.4499999999999999,132.66666666666663,6.0,18,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,49.2,24.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiWOs2O4,NiWOs2O4,trimetallic_oxide,3,"Ni, O, Os, W",-2.84,0.051,1.09,0.143,0.284,good,2,0.5,0.5,4,35.75,2.80375,103.125,12.0,3.75,3.0,3.44,1.91,1.53,139,73,66,76,8,2.36,1.91,0.4499999999999999,133.25,6.0,18,8,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.4,10.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2WOsO4,Ni2WOsO4,trimetallic_oxide,3,"Ni, O, Os, W",-3.02,0.53,0.59,0.308,0.299,good,2,0.5,0.5,4,29.75,2.7675,101.75,12.25,3.5,3.25,3.44,1.91,1.53,139,73,66,76,8,2.36,1.91,0.4499999999999999,130.5,6.5,18,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.4,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiReIrO4,NiReIrO4,trimetallic_oxide,3,"Ir, Ni, O, Re",-3.15,0.125,0.56,0.473,0.164,good,2,0.5714285714285714,0.4285714285714286,4,30.285714285714285,2.824285714285714,98.42857142857142,12.857142857142856,3.4285714285714284,2.8571428571428568,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,132.33333333333331,6.666666666666666,20,8,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,21.9,11.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiReIr2O4,NiReIr2O4,trimetallic_oxide,3,"Ir, Ni, O, Re",-2.74,0.07,1.14,0.166,0.374,good,2,0.5,0.5,4,36.125,2.74625,103.125,12.375,3.75,3.375,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,133.25,6.75,20,8,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,23.2,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2ReIrO4,Ni2ReIrO4,trimetallic_oxide,3,"Ir, Ni, O, Re",-3.09,0.268,1.39,0.303,0.337,excellent,3,0.5,0.5,4,30.0,2.71,101.625,12.5,3.5,3.5,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,130.25,7.0,20,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,57.3,44.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiOsAuO4,NiOsAuO4,trimetallic_oxide,3,"Au, Ni, O, Os",-3.26,0.028,1.09,0.36,0.309,excellent,3,0.5714285714285714,0.4285714285714286,4,30.71428571428571,2.915714285714285,99.28571428571428,13.285714285714285,3.4285714285714284,3.4285714285714284,3.44,1.91,1.53,144,73,71,79,8,2.54,1.91,0.6300000000000001,134.33333333333331,7.999999999999999,24,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,66.8,29.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiOsAu2O4,NiOsAu2O4,trimetallic_oxide,3,"Au, Ni, O, Os",-3.17,0.146,0.87,0.24,0.248,good,2,0.5,0.5,4,36.75,2.86875,104.875,13.0,3.75,4.25,3.44,1.91,1.53,144,73,71,79,8,2.54,1.91,0.6300000000000001,136.75,8.5,24,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,67.0,36.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2OsAuO4,Ni2OsAuO4,trimetallic_oxide,3,"Au, Ni, O, Os",-2.81,0.145,1.53,0.409,0.359,good,2,0.5,0.5,4,30.375,2.79,102.375,12.875,3.5,4.0,3.44,1.91,1.53,144,73,71,79,8,2.54,1.91,0.6300000000000001,131.75,8.0,24,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,22.5,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiIrBiO4,NiIrBiO4,trimetallic_oxide,3,"Bi, Ir, Ni, O",-3.04,0.254,0.94,0.301,0.249,good,2,0.5714285714285714,0.4285714285714286,4,31.428571428571427,2.841428571428571,99.28571428571428,14.0,3.4285714285714284,3.571428571428571,3.44,1.91,1.53,143,73,70,83,8,2.2,1.91,0.2900000000000002,134.33333333333331,8.333333333333332,25,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,30.4,40.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiIrBi2O4,NiIrBi2O4,trimetallic_oxide,3,"Bi, Ir, Ni, O",-3.55,0.346,0.77,0.394,0.168,excellent,3,0.5,0.5,4,37.875,2.73875,104.75,14.125,3.75,4.375,3.44,1.91,1.53,143,73,70,83,8,2.2,1.91,0.2900000000000002,136.5,8.75,25,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,51.4,23.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2IrBiO4,Ni2IrBiO4,trimetallic_oxide,3,"Bi, Ir, Ni, O",-3.33,0.02,0.72,0.514,0.19,good,2,0.5,0.5,4,31.0,2.725,102.375,13.5,3.5,4.125,3.44,1.91,1.53,143,73,70,83,8,2.2,1.91,0.2900000000000002,131.75,8.25,25,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,56.8,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiAuSnO4,NiAuSnO4,trimetallic_oxide,3,"Au, Ni, O, Sn",-3.12,0.092,0.61,0.298,0.299,good,2,0.5714285714285714,0.4285714285714286,4,27.0,2.8814285714285712,100.71428571428572,14.142857142857142,3.2857142857142856,4.0,3.44,1.91,1.53,145,73,72,79,8,2.54,1.91,0.6300000000000001,137.66666666666663,9.333333333333332,28,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,50.1,45.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiAuSn2O4,NiAuSn2O4,trimetallic_oxide,3,"Au, Ni, O, Sn",-2.61,0.11,1.25,0.315,0.327,good,2,0.5,0.5,4,29.875,2.76625,106.25,14.125,3.5,4.75,3.44,1.91,1.53,145,73,72,79,8,2.54,1.91,0.6300000000000001,139.5,9.5,28,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,30.7,23.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2AuSnO4,Ni2AuSnO4,trimetallic_oxide,3,"Au, Ni, O, Sn",-2.65,0.556,0.77,0.371,0.309,good,2,0.5,0.5,4,27.125,2.76,103.625,13.625,3.375,4.5,3.44,1.91,1.53,145,73,72,79,8,2.54,1.91,0.6300000000000001,134.25,9.0,28,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,49.1,38.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiSnCeO4,NiSnCeO4,trimetallic_oxide,3,"Ce, Ni, O, Sn",-2.49,0.028,0.6,0.317,0.358,good,2,0.5714285714285714,0.4285714285714286,4,24.0,2.6785714285714284,106.14285714285714,13.0,3.2857142857142856,2.714285714285714,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,150.33333333333331,6.333333333333332,19,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,True,True,True,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,40.9,10.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NiSnCe2O4,NiSnCe2O4,trimetallic_oxide,3,"Ce, Ni, O, Sn",-3.04,0.014,1.1,0.472,0.31,good,2,0.5,0.5,4,28.25,2.48375,115.625,11.75,3.625,2.5,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,158.25,5.0,19,10,0.125,0.125,0.25,0.125,0,0,0.25,True,True,True,True,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,39.0,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ni2SnCeO4,Ni2SnCeO4,trimetallic_oxide,3,"Ce, Ni, O, Sn",-2.99,0.377,1.53,0.245,0.309,excellent,3,0.5,0.5,4,24.5,2.5825,108.375,12.625,3.375,3.375,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,143.75,6.75,19,10,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,True,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,37.5,6.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZnAgO4,CuZnAgO4,trimetallic_oxide,3,"Ag, Cu, O, Zn",-2.85,0.378,1.43,0.376,0.414,good,2,0.5714285714285714,0.4285714285714286,4,19.71428571428571,2.748571428571428,99.71428571428572,14.0,3.0,4.285714285714285,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,135.33333333333331,9.999999999999998,30,10,0.2857142857142857,0.1428571428571428,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,58.4,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZnAg2O4,CuZnAg2O4,trimetallic_oxide,3,"Ag, Cu, O, Zn",-2.91,0.215,0.85,0.355,0.336,good,2,0.5,0.5,4,23.125,2.64625,105.25,13.625,3.25,5.0,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,137.5,10.0,30,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.7,19.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2ZnAgO4,Cu2ZnAgO4,trimetallic_oxide,3,"Ag, Cu, O, Zn",-2.88,0.141,1.18,0.382,0.15,good,2,0.5,0.5,4,20.875,2.6425,103.25,13.625,3.125,5.0,3.44,1.65,1.79,144,73,71,47,8,1.93,1.65,0.28,133.5,10.0,30,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,54.8,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZnSnO4,CuZnSnO4,trimetallic_oxide,3,"Cu, O, Sn, Zn",-2.32,0.227,1.17,0.254,0.228,good,2,0.5714285714285714,0.4285714285714286,4,20.142857142857142,2.7528571428571427,99.85714285714286,14.428571428571429,3.0,4.285714285714285,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,135.66666666666666,9.999999999999998,30,10,0.2857142857142857,0.1428571428571428,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,10.6,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZnSn2O4,CuZnSn2O4,trimetallic_oxide,3,"Cu, O, Sn, Zn",-2.45,0.135,1.22,0.311,0.239,good,2,0.5,0.5,4,23.875,2.65375,105.5,14.375,3.25,5.0,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,138.0,10.0,30,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,46.4,35.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2ZnSnO4,Cu2ZnSnO4,trimetallic_oxide,3,"Cu, O, Sn, Zn",-2.7,0.026,0.9,0.333,0.22,good,2,0.5,0.5,4,21.25,2.64625,103.375,14.0,3.125,5.0,3.44,1.65,1.79,145,73,72,50,8,1.96,1.65,0.31,133.75,10.0,30,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.5,15.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZrHfO4,CuZrHfO4,trimetallic_oxide,3,"Cu, Hf, O, Zr",-2.83,0.055,0.56,0.241,0.323,good,2,0.5714285714285714,0.4285714285714286,4,24.71428571428571,2.6128571428571425,105.57142857142856,11.857142857142856,3.2857142857142856,2.0,3.44,1.3,2.14,160,73,87,72,8,1.9,1.3,0.5999999999999999,148.99999999999997,4.666666666666666,14,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,23.3,22.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZrHf2O4,CuZrHf2O4,trimetallic_oxide,3,"Cu, Hf, O, Zr",-3.04,0.025,0.62,0.224,0.272,good,2,0.5,0.5,4,30.625,2.44875,112.25,10.875,3.625,2.0,3.44,1.3,2.14,160,73,87,72,8,1.9,1.3,0.5999999999999999,151.5,4.0,14,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,60.0,41.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2ZrHfO4,Cu2ZrHfO4,trimetallic_oxide,3,"Cu, Hf, O, Zr",-2.57,0.424,1.46,0.277,0.172,good,2,0.5,0.5,4,25.25,2.52375,108.375,11.75,3.375,3.0,3.44,1.3,2.14,160,73,87,72,8,1.9,1.3,0.5999999999999999,143.75,6.0,14,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.6,19.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZrBiO4,CuZrBiO4,trimetallic_oxide,3,"Bi, Cu, O, Zr",-2.32,0.154,1.0,0.215,0.361,good,2,0.5714285714285714,0.4285714285714286,4,26.285714285714285,2.7157142857142853,103.28571428571428,13.428571428571429,3.2857142857142856,3.1428571428571423,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,143.66666666666663,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.5,29.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuZrBi2O4,CuZrBi2O4,trimetallic_oxide,3,"Bi, Cu, O, Zr",-2.83,0.085,1.27,0.36,0.31,good,2,0.5,0.5,4,33.375,2.62875,108.25,13.625,3.625,4.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,143.5,8.0,22,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,16.4,49.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2ZrBiO4,Cu2ZrBiO4,trimetallic_oxide,3,"Bi, Cu, O, Zr",-2.73,0.024,1.59,0.29,0.237,good,2,0.5,0.5,4,26.625,2.61375,106.375,13.125,3.375,4.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,139.75,8.0,22,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,39.2,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuNbWO4,CuNbWO4,trimetallic_oxide,3,"Cu, Nb, O, W",-3.58,0.029,1.41,0.206,0.338,excellent,3,0.5714285714285714,0.4285714285714286,4,25.142857142857142,2.8028571428571425,100.71428571428572,12.285714285714285,3.2857142857142856,2.571428571428571,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,137.66666666666666,5.999999999999999,18,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.8,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuNbW2O4,CuNbW2O4,trimetallic_oxide,3,"Cu, Nb, O, W",-3.16,0.157,0.89,0.206,0.268,good,2,0.5,0.5,4,31.25,2.7475,105.5,11.5,3.625,2.75,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,138.0,5.5,18,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,15.8,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2NbWO4,Cu2NbWO4,trimetallic_oxide,3,"Cu, Nb, O, W",-3.65,0.297,0.78,0.305,0.268,excellent,3,0.5,0.5,4,25.625,2.69,104.125,12.125,3.375,3.5,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,135.25,7.0,18,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,57.3,23.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuNbCeO4,CuNbCeO4,trimetallic_oxide,3,"Ce, Cu, Nb, O",-3.15,0.134,0.96,0.226,0.288,good,2,0.5714285714285714,0.4285714285714286,4,22.85714285714285,2.625714285714285,106.85714285714286,11.857142857142856,3.2857142857142856,2.142857142857143,3.44,1.12,2.32,182,73,109,58,8,1.9,1.12,0.7799999999999998,152.0,4.999999999999999,15,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,True,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,21.6,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuNbCe2O4,CuNbCe2O4,trimetallic_oxide,3,"Ce, Cu, Nb, O",-3.44,0.09,1.27,0.29,0.361,excellent,3,0.5,0.5,4,27.25,2.4375,116.25,10.75,3.625,2.0,3.44,1.12,2.32,182,73,109,58,8,1.9,1.12,0.7799999999999998,159.5,4.0,15,10,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,True,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,55.4,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2NbCeO4,Cu2NbCeO4,trimetallic_oxide,3,"Ce, Cu, Nb, O",-2.9,0.235,1.12,0.354,0.337,good,2,0.5,0.5,4,23.625,2.535,109.5,11.75,3.375,3.125,3.44,1.12,2.32,182,73,109,58,8,1.9,1.12,0.7799999999999998,146.0,6.25,15,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,45.8,51.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuMoIrO4,CuMoIrO4,trimetallic_oxide,3,"Cu, Ir, Mo, O",-2.25,0.02,0.98,0.341,0.422,good,2,0.5714285714285714,0.4285714285714286,4,25.714285714285715,2.86,99.28571428571428,12.857142857142856,3.2857142857142856,3.1428571428571423,3.44,1.9,1.54,139,73,66,77,8,2.2,1.9,0.3000000000000002,134.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.2,34.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuMoIr2O4,CuMoIr2O4,trimetallic_oxide,3,"Cu, Ir, Mo, O",-3.74,0.072,0.44,0.052,0.21,excellent,3,0.5,0.5,4,32.125,2.7775,103.875,12.375,3.625,3.625,3.44,1.9,1.54,139,73,66,77,8,2.2,1.9,0.3000000000000002,134.75,7.25,22,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.8,18.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2MoIrO4,Cu2MoIrO4,trimetallic_oxide,3,"Cu, Ir, Mo, O",-2.53,0.012,0.68,0.377,0.37,good,2,0.5,0.5,4,26.125,2.74,102.875,12.625,3.375,4.0,3.44,1.9,1.54,139,73,66,77,8,2.2,1.9,0.3000000000000002,132.75,8.0,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,32.9,32.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuRuAgO4,CuRuAgO4,trimetallic_oxide,3,"Ag, Cu, O, Ru",-2.96,0.005,1.02,0.226,0.208,good,2,0.5714285714285714,0.4285714285714286,4,21.71428571428571,2.827142857142857,99.71428571428572,13.428571428571429,3.1428571428571423,3.8571428571428568,3.44,1.9,1.54,144,73,71,47,8,2.2,1.9,0.3000000000000002,135.33333333333331,8.999999999999998,27,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,34.8,21.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuRuAg2O4,CuRuAg2O4,trimetallic_oxide,3,"Ag, Cu, O, Ru",-2.53,0.054,0.41,0.315,0.359,good,2,0.5,0.5,4,24.875,2.715,105.25,13.125,3.375,4.625,3.44,1.9,1.54,144,73,71,47,8,2.2,1.9,0.3000000000000002,137.5,9.25,27,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.9,27.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2RuAgO4,Cu2RuAgO4,trimetallic_oxide,3,"Ag, Cu, O, Ru",-2.4,0.273,0.79,0.267,0.194,good,2,0.5,0.5,4,22.625,2.71125,103.25,13.125,3.25,4.625,3.44,1.9,1.54,144,73,71,47,8,2.2,1.9,0.3000000000000002,133.5,9.25,27,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.3,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuRuSnO4,CuRuSnO4,trimetallic_oxide,3,"Cu, O, Ru, Sn",-2.53,0.275,1.04,0.317,0.236,good,2,0.5714285714285714,0.4285714285714286,4,22.142857142857142,2.831428571428571,99.85714285714286,13.857142857142856,3.1428571428571423,3.8571428571428568,3.44,1.9,1.54,145,73,72,50,8,2.2,1.9,0.3000000000000002,135.66666666666666,8.999999999999998,27,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,52.3,17.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuRuSn2O4,CuRuSn2O4,trimetallic_oxide,3,"Cu, O, Ru, Sn",-1.95,0.12,0.55,0.432,0.254,good,2,0.5,0.5,4,25.625,2.7225,105.5,13.875,3.375,4.625,3.44,1.9,1.54,145,73,72,50,8,2.2,1.9,0.3000000000000002,138.0,9.25,27,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,39.4,47.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2RuSnO4,Cu2RuSnO4,trimetallic_oxide,3,"Cu, O, Ru, Sn",-1.84,0.036,1.14,0.233,0.226,good,2,0.5,0.5,4,23.0,2.715,103.375,13.5,3.25,4.625,3.44,1.9,1.54,145,73,72,50,8,2.2,1.9,0.3000000000000002,133.75,9.25,27,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,33.0,37.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuRhOsO4,CuRhOsO4,trimetallic_oxide,3,"Cu, O, Os, Rh",-3.0,0.547,0.93,0.392,0.267,good,2,0.5714285714285714,0.4285714285714286,4,26.0,2.877142857142857,98.42857142857144,13.142857142857142,3.2857142857142856,3.4285714285714284,3.44,1.9,1.54,135,73,62,76,8,2.28,1.9,0.3799999999999999,132.33333333333331,7.999999999999999,24,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.0,56.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuRhOs2O4,CuRhOs2O4,trimetallic_oxide,3,"Cu, O, Os, Rh",-2.74,0.026,1.2,0.393,0.319,good,2,0.5,0.5,4,32.25,2.7925,103.0,12.5,3.625,3.75,3.44,1.9,1.54,135,73,62,76,8,2.28,1.9,0.3799999999999999,133.0,7.5,24,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,24.8,15.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2RhOsO4,Cu2RhOsO4,trimetallic_oxide,3,"Cu, O, Os, Rh",-2.51,0.045,1.21,0.196,0.333,good,2,0.5,0.5,4,26.375,2.755,102.125,12.875,3.375,4.25,3.44,1.9,1.54,135,73,62,76,8,2.28,1.9,0.3799999999999999,131.25,8.5,24,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,52.8,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuPdHfO4,CuPdHfO4,trimetallic_oxide,3,"Cu, Hf, O, Pd",-2.73,0.177,0.98,0.319,0.305,good,2,0.5714285714285714,0.4285714285714286,4,25.57142857142857,2.737142857142857,102.28571428571428,12.714285714285714,3.2857142857142856,3.1428571428571423,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,141.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,20.5,39.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuPdHf2O4,CuPdHf2O4,trimetallic_oxide,3,"Cu, Hf, O, Pd",-2.99,0.082,1.87,0.286,0.266,excellent,3,0.5,0.5,4,31.375,2.5575,109.375,11.625,3.625,3.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,145.75,6.0,22,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,47.2,40.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2PdHfO4,Cu2PdHfO4,trimetallic_oxide,3,"Cu, Hf, O, Pd",-2.59,0.101,1.22,0.312,0.383,good,2,0.5,0.5,4,26.0,2.6325,105.5,12.5,3.375,4.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,138.0,8.0,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,43.5,44.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuPdBiO4,CuPdBiO4,trimetallic_oxide,3,"Bi, Cu, O, Pd",-3.36,0.113,0.49,0.347,0.162,good,2,0.5714285714285714,0.4285714285714286,4,27.14285714285714,2.84,100.0,14.285714285714285,3.2857142857142856,4.285714285714285,3.44,1.9,1.54,143,73,70,83,8,2.2,1.9,0.3000000000000002,135.99999999999997,9.999999999999998,30,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,11.2,23.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuPdBi2O4,CuPdBi2O4,trimetallic_oxide,3,"Bi, Cu, O, Pd",-2.76,0.148,1.21,0.402,0.29,good,2,0.5,0.5,4,34.125,2.7375,105.375,14.375,3.625,5.0,3.44,1.9,1.54,143,73,70,83,8,2.2,1.9,0.3000000000000002,137.75,10.0,30,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,62.7,33.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2PdBiO4,Cu2PdBiO4,trimetallic_oxide,3,"Bi, Cu, O, Pd",-3.4,0.044,1.09,0.385,0.172,excellent,3,0.5,0.5,4,27.375,2.7225,103.5,13.875,3.375,5.0,3.44,1.9,1.54,143,73,70,83,8,2.2,1.9,0.3000000000000002,134.0,10.0,30,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,55.5,45.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuAgAuO4,CuAgAuO4,trimetallic_oxide,3,"Ag, Au, Cu, O",-3.42,0.01,0.79,0.205,0.324,excellent,3,0.5714285714285714,0.4285714285714286,4,26.71428571428571,2.875714285714285,101.14285714285714,13.857142857142856,3.2857142857142856,4.285714285714285,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,138.66666666666666,9.999999999999998,30,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,61.7,40.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuAgAu2O4,CuAgAu2O4,trimetallic_oxide,3,"Ag, Au, Cu, O",-2.65,0.096,0.67,0.319,0.338,good,2,0.5,0.5,4,33.25,2.83375,106.5,13.5,3.625,5.0,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,140.0,10.0,30,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.3,15.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2AgAuO4,Cu2AgAuO4,trimetallic_oxide,3,"Ag, Au, Cu, O",-2.99,0.237,0.47,0.312,0.299,good,2,0.5,0.5,4,27.0,2.75375,104.5,13.5,3.375,5.0,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,136.0,10.0,30,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,63.4,43.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuHfIrO4,CuHfIrO4,trimetallic_oxide,3,"Cu, Hf, Ir, O",-2.83,0.256,1.23,0.515,0.259,good,2,0.5714285714285714,0.4285714285714286,4,30.0,2.737142857142857,102.14285714285714,12.571428571428571,3.4285714285714284,2.714285714285714,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,141.0,6.333333333333332,19,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,66.9,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuHfIr2O4,CuHfIr2O4,trimetallic_oxide,3,"Cu, Hf, Ir, O",-3.27,0.181,1.34,0.195,0.379,excellent,3,0.5,0.5,4,35.875,2.67,106.375,12.125,3.75,3.25,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,139.75,6.5,19,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.6,39.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2HfIrO4,Cu2HfIrO4,trimetallic_oxide,3,"Cu, Hf, Ir, O",-2.62,0.012,1.24,0.284,0.315,good,2,0.5,0.5,4,29.875,2.6325,105.375,12.375,3.5,3.625,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,137.75,7.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,42.1,22.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuTaOsO4,CuTaOsO4,trimetallic_oxide,3,"Cu, O, Os, Ta",-3.23,0.124,0.63,0.254,0.245,good,2,0.5714285714285714,0.4285714285714286,4,30.0,2.7657142857142856,100.14285714285714,12.571428571428571,3.4285714285714284,2.714285714285714,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,136.33333333333331,6.333333333333332,19,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,44.5,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuTaOs2O4,CuTaOs2O4,trimetallic_oxide,3,"Cu, O, Os, Ta",-3.16,0.098,0.79,0.265,0.271,good,2,0.5,0.5,4,35.75,2.695,104.5,12.0,3.75,3.125,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,136.0,6.25,19,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,17.8,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2TaOsO4,Cu2TaOsO4,trimetallic_oxide,3,"Cu, O, Os, Ta",-2.25,0.224,0.69,0.217,0.251,good,2,0.5,0.5,4,29.875,2.6575,103.625,12.375,3.5,3.625,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,134.25,7.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.3,35.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuWOsO4,CuWOsO4,trimetallic_oxide,3,"Cu, O, Os, W",-2.6,0.15,0.93,0.269,0.287,good,2,0.5714285714285714,0.4285714285714286,4,30.14285714285714,2.8885714285714283,99.14285714285714,12.714285714285714,3.4285714285714284,2.8571428571428568,3.44,1.9,1.54,139,73,66,76,8,2.36,1.9,0.4599999999999999,134.0,6.666666666666666,20,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.4,31.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuWOs2O4,CuWOs2O4,trimetallic_oxide,3,"Cu, O, Os, W",-2.88,0.417,0.92,0.356,0.299,good,2,0.5,0.5,4,35.875,2.8025,103.625,12.125,3.75,3.25,3.44,1.9,1.54,139,73,66,76,8,2.36,1.9,0.4599999999999999,134.25,6.5,20,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,52.3,48.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2WOsO4,Cu2WOsO4,trimetallic_oxide,3,"Cu, O, Os, W",-2.81,0.193,0.44,0.185,0.205,good,2,0.5,0.5,4,30.0,2.765,102.75,12.5,3.5,3.75,3.44,1.9,1.54,139,73,66,76,8,2.36,1.9,0.4599999999999999,132.5,7.5,20,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,52.1,70.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuReIrO4,CuReIrO4,trimetallic_oxide,3,"Cu, Ir, O, Re",-2.34,0.085,1.12,0.238,0.232,good,2,0.5714285714285714,0.4285714285714286,4,30.428571428571427,2.8228571428571425,99.0,13.0,3.4285714285714284,3.1428571428571423,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,133.66666666666666,7.333333333333332,22,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,54.1,27.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuReIr2O4,CuReIr2O4,trimetallic_oxide,3,"Cu, Ir, O, Re",-3.39,0.187,0.56,0.276,0.239,good,2,0.5,0.5,4,36.25,2.745,103.625,12.5,3.75,3.625,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,134.25,7.25,22,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,59.3,47.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2ReIrO4,Cu2ReIrO4,trimetallic_oxide,3,"Cu, Ir, O, Re",-3.66,0.401,1.05,0.319,0.245,excellent,3,0.5,0.5,4,30.25,2.7075,102.625,12.75,3.5,4.0,3.44,1.9,1.54,137,73,64,77,8,2.2,1.9,0.3000000000000002,132.25,8.0,22,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.7,18.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuOsAuO4,CuOsAuO4,trimetallic_oxide,3,"Au, Cu, O, Os",-3.52,0.048,0.9,0.328,0.273,excellent,3,0.5714285714285714,0.4285714285714286,4,30.85714285714285,2.914285714285714,99.85714285714286,13.428571428571429,3.4285714285714284,3.714285714285714,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,135.66666666666666,8.666666666666664,26,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,72.2,21.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuOsAu2O4,CuOsAu2O4,trimetallic_oxide,3,"Au, Cu, O, Os",-3.55,0.162,1.38,0.199,0.269,excellent,3,0.5,0.5,4,36.875,2.8675,105.375,13.125,3.75,4.5,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,137.75,9.0,26,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.6,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2OsAuO4,Cu2OsAuO4,trimetallic_oxide,3,"Au, Cu, O, Os",-3.47,0.025,1.2,0.303,0.395,excellent,3,0.5,0.5,4,30.625,2.7875,103.375,13.125,3.5,4.5,3.44,1.9,1.54,144,73,71,79,8,2.54,1.9,0.6400000000000001,133.75,9.0,26,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.4,46.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuIrBiO4,CuIrBiO4,trimetallic_oxide,3,"Bi, Cu, Ir, O",-2.53,0.014,1.1,0.236,0.312,good,2,0.5714285714285714,0.4285714285714286,4,31.57142857142857,2.84,99.85714285714286,14.142857142857142,3.4285714285714284,3.8571428571428568,3.44,1.9,1.54,143,73,70,83,8,2.2,1.9,0.3000000000000002,135.66666666666666,8.999999999999998,27,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.9,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuIrBi2O4,CuIrBi2O4,trimetallic_oxide,3,"Bi, Cu, Ir, O",-2.77,0.027,0.95,0.297,0.281,good,2,0.5,0.5,4,38.0,2.7375,105.25,14.25,3.75,4.625,3.44,1.9,1.54,143,73,70,83,8,2.2,1.9,0.3000000000000002,137.5,9.25,27,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,45.9,58.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2IrBiO4,Cu2IrBiO4,trimetallic_oxide,3,"Bi, Cu, Ir, O",-2.44,0.063,1.39,0.219,0.297,good,2,0.5,0.5,4,31.25,2.7225,103.375,13.75,3.5,4.625,3.44,1.9,1.54,143,73,70,83,8,2.2,1.9,0.3000000000000002,133.75,9.25,27,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,45.5,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuAuSnO4,CuAuSnO4,trimetallic_oxide,3,"Au, Cu, O, Sn",-3.1,0.129,0.63,0.517,0.228,good,2,0.5714285714285714,0.4285714285714286,4,27.14285714285714,2.88,101.28571428571428,14.285714285714285,3.2857142857142856,4.285714285714285,3.44,1.9,1.54,145,73,72,79,8,2.54,1.9,0.6400000000000001,138.99999999999997,9.999999999999998,30,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,34.4,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuAuSn2O4,CuAuSn2O4,trimetallic_oxide,3,"Au, Cu, O, Sn",-3.12,0.221,1.22,0.381,0.314,good,2,0.5,0.5,4,30.0,2.765,106.75,14.25,3.5,5.0,3.44,1.9,1.54,145,73,72,79,8,2.54,1.9,0.6400000000000001,140.5,10.0,30,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,55.3,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2AuSnO4,Cu2AuSnO4,trimetallic_oxide,3,"Au, Cu, O, Sn",-2.54,0.033,0.95,0.363,0.298,good,2,0.5,0.5,4,27.375,2.7575,104.625,13.875,3.375,5.0,3.44,1.9,1.54,145,73,72,79,8,2.54,1.9,0.6400000000000001,136.25,10.0,30,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,74.3,54.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuSnCeO4,CuSnCeO4,trimetallic_oxide,3,"Ce, Cu, O, Sn",-3.18,0.077,1.07,0.343,0.299,good,2,0.5714285714285714,0.4285714285714286,4,24.14285714285714,2.677142857142857,106.71428571428572,13.142857142857142,3.2857142857142856,3.0,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,151.66666666666666,6.999999999999998,21,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,True,True,True,False,True,False,False,True,Orthorhombic,0,0,0,1,0,0,0,29.6,27.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_CuSnCe2O4,CuSnCe2O4,trimetallic_oxide,3,"Ce, Cu, O, Sn",-2.24,0.168,0.88,0.221,0.341,good,2,0.5,0.5,4,28.375,2.4825,116.125,11.875,3.625,2.75,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,159.25,5.5,21,10,0.125,0.125,0.25,0.125,0,0,0.25,True,True,True,True,False,True,False,False,True,Rhombohedral,0,0,0,0,0,1,0,46.9,13.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Cu2SnCeO4,Cu2SnCeO4,trimetallic_oxide,3,"Ce, Cu, O, Sn",-2.83,0.148,1.04,0.299,0.297,good,2,0.5,0.5,4,24.75,2.58,109.375,12.875,3.375,3.875,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,145.75,7.75,21,10,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,True,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,13.2,48.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnZrHfO4,ZnZrHfO4,trimetallic_oxide,3,"Hf, O, Zn, Zr",-2.34,0.449,1.27,0.266,0.326,good,2,0.5714285714285714,0.4285714285714286,4,24.85714285714285,2.577142857142857,106.42857142857142,12.0,3.2857142857142856,2.0,3.44,1.3,2.14,160,73,87,72,8,1.65,1.3,0.3499999999999998,150.99999999999997,4.666666666666666,14,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,62.8,9.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnZrHf2O4,ZnZrHf2O4,trimetallic_oxide,3,"Hf, O, Zn, Zr",-2.38,0.132,1.23,0.068,0.343,good,2,0.5,0.5,4,30.75,2.4175,113.0,11.0,3.625,2.0,3.44,1.3,2.14,160,73,87,72,8,1.65,1.3,0.3499999999999998,153.0,4.0,14,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,61.2,46.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2ZrHfO4,Zn2ZrHfO4,trimetallic_oxide,3,"Hf, O, Zn, Zr",-3.59,0.134,0.96,0.278,0.276,excellent,3,0.5,0.5,4,25.5,2.46125,109.875,12.0,3.375,3.0,3.44,1.3,2.14,160,73,87,72,8,1.65,1.3,0.3499999999999998,146.75,6.0,14,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.8,5.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnZrBiO4,ZnZrBiO4,trimetallic_oxide,3,"Bi, O, Zn, Zr",-2.2,0.025,1.36,0.233,0.275,good,2,0.5714285714285714,0.4285714285714286,4,26.428571428571427,2.68,104.14285714285714,13.571428571428571,3.2857142857142856,3.1428571428571423,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,145.66666666666663,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,42.1,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnZrBi2O4,ZnZrBi2O4,trimetallic_oxide,3,"Bi, O, Zn, Zr",-2.96,0.389,0.62,0.485,0.27,good,2,0.5,0.5,4,33.5,2.5975,109.0,13.75,3.625,4.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,145.0,8.0,22,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.1,47.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2ZrBiO4,Zn2ZrBiO4,trimetallic_oxide,3,"Bi, O, Zn, Zr",-2.61,0.03,1.02,0.278,0.24,good,2,0.5,0.5,4,26.875,2.55125,107.875,13.375,3.375,4.0,3.44,1.33,2.11,160,73,87,83,8,2.02,1.33,0.69,142.75,8.0,22,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,54.6,18.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnNbWO4,ZnNbWO4,trimetallic_oxide,3,"Nb, O, W, Zn",-3.41,0.17,1.0,0.289,0.234,excellent,3,0.5714285714285714,0.4285714285714286,4,25.285714285714285,2.767142857142857,101.57142857142856,12.428571428571429,3.2857142857142856,2.571428571428571,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,139.66666666666666,5.999999999999999,18,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,31.5,16.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnNbW2O4,ZnNbW2O4,trimetallic_oxide,3,"Nb, O, W, Zn",-3.46,0.071,1.18,0.309,0.258,excellent,3,0.5,0.5,4,31.375,2.71625,106.25,11.625,3.625,2.75,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,139.5,5.5,18,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,38.5,30.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2NbWO4,Zn2NbWO4,trimetallic_oxide,3,"Nb, O, W, Zn",-3.38,0.279,1.36,0.318,0.373,excellent,3,0.5,0.5,4,25.875,2.6275,105.625,12.375,3.375,3.5,3.44,1.6,1.84,146,73,73,74,8,2.36,1.6,0.7599999999999998,138.25,7.0,18,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,28.4,13.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnNbCeO4,ZnNbCeO4,trimetallic_oxide,3,"Ce, Nb, O, Zn",-3.08,0.197,1.3,0.287,0.307,good,2,0.5714285714285714,0.4285714285714286,4,23.0,2.59,107.71428571428572,12.0,3.2857142857142856,2.142857142857143,3.44,1.12,2.32,182,73,109,58,8,1.65,1.12,0.5299999999999998,154.0,4.999999999999999,15,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.1428571428571428,True,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,40.4,13.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnNbCe2O4,ZnNbCe2O4,trimetallic_oxide,3,"Ce, Nb, O, Zn",-2.43,0.221,1.29,0.331,0.363,good,2,0.5,0.5,4,27.375,2.40625,117.0,10.875,3.625,2.0,3.44,1.12,2.32,182,73,109,58,8,1.65,1.12,0.5299999999999998,161.0,4.0,15,10,0.125,0.125,0.25,0.0,0,0,0.25,True,True,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,33.4,35.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2NbCeO4,Zn2NbCeO4,trimetallic_oxide,3,"Ce, Nb, O, Zn",-2.93,0.257,0.76,0.338,0.263,good,2,0.5,0.5,4,23.875,2.4725,111.0,12.0,3.375,3.125,3.44,1.12,2.32,182,73,109,58,8,1.65,1.12,0.5299999999999998,149.0,6.25,15,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,35.4,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnMoIrO4,ZnMoIrO4,trimetallic_oxide,3,"Ir, Mo, O, Zn",-2.97,0.24,1.19,0.176,0.366,good,2,0.5714285714285714,0.4285714285714286,4,25.857142857142858,2.824285714285714,100.14285714285714,13.0,3.2857142857142856,3.1428571428571423,3.44,1.65,1.79,139,73,66,77,8,2.2,1.65,0.5500000000000003,136.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.5,16.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnMoIr2O4,ZnMoIr2O4,trimetallic_oxide,3,"Ir, Mo, O, Zn",-2.66,0.096,0.95,0.345,0.216,good,2,0.5,0.5,4,32.25,2.74625,104.625,12.5,3.625,3.625,3.44,1.65,1.79,139,73,66,77,8,2.2,1.65,0.5500000000000003,136.25,7.25,22,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,32.6,32.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2MoIrO4,Zn2MoIrO4,trimetallic_oxide,3,"Ir, Mo, O, Zn",-2.76,0.14,1.48,0.256,0.202,good,2,0.5,0.5,4,26.375,2.6775,104.375,12.875,3.375,4.0,3.44,1.65,1.79,139,73,66,77,8,2.2,1.65,0.5500000000000003,135.75,8.0,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,22.5,32.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnRuAgO4,ZnRuAgO4,trimetallic_oxide,3,"Ag, O, Ru, Zn",-2.52,0.174,1.42,0.343,0.283,good,2,0.5714285714285714,0.4285714285714286,4,21.85714285714285,2.791428571428572,100.57142857142856,13.571428571428571,3.1428571428571423,3.8571428571428568,3.44,1.65,1.79,144,73,71,47,8,2.2,1.65,0.5500000000000003,137.33333333333331,8.999999999999998,27,10,0.1428571428571428,0.2857142857142857,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.4,37.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnRuAg2O4,ZnRuAg2O4,trimetallic_oxide,3,"Ag, O, Ru, Zn",-3.01,0.067,1.3,0.353,0.244,good,2,0.5,0.5,4,25.0,2.68375,106.0,13.25,3.375,4.625,3.44,1.65,1.79,144,73,71,47,8,2.2,1.65,0.5500000000000003,139.0,9.25,27,10,0.125,0.375,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,7.7,24.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2RuAgO4,Zn2RuAgO4,trimetallic_oxide,3,"Ag, O, Ru, Zn",-2.3,0.002,0.88,0.163,0.318,good,2,0.5,0.5,4,22.875,2.64875,104.75,13.375,3.25,4.625,3.44,1.65,1.79,144,73,71,47,8,2.2,1.65,0.5500000000000003,136.5,9.25,27,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,44.2,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnRuSnO4,ZnRuSnO4,trimetallic_oxide,3,"O, Ru, Sn, Zn",-3.17,0.27,0.7,0.118,0.295,good,2,0.5714285714285714,0.4285714285714286,4,22.285714285714285,2.7957142857142854,100.71428571428572,14.0,3.1428571428571423,3.8571428571428568,3.44,1.65,1.79,145,73,72,50,8,2.2,1.65,0.5500000000000003,137.66666666666666,8.999999999999998,27,10,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,64.8,21.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnRuSn2O4,ZnRuSn2O4,trimetallic_oxide,3,"O, Ru, Sn, Zn",-3.04,0.014,1.55,0.268,0.237,excellent,3,0.5,0.5,4,25.75,2.69125,106.25,14.0,3.375,4.625,3.44,1.65,1.79,145,73,72,50,8,2.2,1.65,0.5500000000000003,139.5,9.25,27,10,0.125,0.375,0.0,0.25,0,0,0.0,True,True,False,False,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.1,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2RuSnO4,Zn2RuSnO4,trimetallic_oxide,3,"O, Ru, Sn, Zn",-2.55,0.423,1.17,0.273,0.168,good,2,0.5,0.5,4,23.25,2.6525,104.875,13.75,3.25,4.625,3.44,1.65,1.79,145,73,72,50,8,2.2,1.65,0.5500000000000003,136.75,9.25,27,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,False,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,35.6,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnRhOsO4,ZnRhOsO4,trimetallic_oxide,3,"O, Os, Rh, Zn",-3.06,0.067,1.12,0.191,0.271,good,2,0.5714285714285714,0.4285714285714286,4,26.14285714285714,2.841428571428571,99.28571428571428,13.285714285714285,3.2857142857142856,3.4285714285714284,3.44,1.65,1.79,135,73,62,76,8,2.28,1.65,0.6299999999999999,134.33333333333331,7.999999999999999,24,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,36.0,14.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnRhOs2O4,ZnRhOs2O4,trimetallic_oxide,3,"O, Os, Rh, Zn",-2.73,0.186,0.97,0.314,0.204,good,2,0.5,0.5,4,32.375,2.76125,103.75,12.625,3.625,3.75,3.44,1.65,1.79,135,73,62,76,8,2.28,1.65,0.6299999999999999,134.5,7.5,24,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,27.6,47.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2RhOsO4,Zn2RhOsO4,trimetallic_oxide,3,"O, Os, Rh, Zn",-2.4,0.005,1.22,0.376,0.196,good,2,0.5,0.5,4,26.625,2.6925,103.625,13.125,3.375,4.25,3.44,1.65,1.79,135,73,62,76,8,2.28,1.65,0.6299999999999999,134.25,8.5,24,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,5.0,16.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnPdHfO4,ZnPdHfO4,trimetallic_oxide,3,"Hf, O, Pd, Zn",-2.91,0.202,1.21,0.361,0.225,good,2,0.5714285714285714,0.4285714285714286,4,25.71428571428571,2.701428571428571,103.14285714285714,12.857142857142856,3.2857142857142856,3.1428571428571423,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,143.33333333333331,7.333333333333332,22,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.9,36.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnPdHf2O4,ZnPdHf2O4,trimetallic_oxide,3,"Hf, O, Pd, Zn",-3.16,0.167,1.43,0.443,0.214,excellent,3,0.5,0.5,4,31.5,2.52625,110.125,11.75,3.625,3.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,147.25,6.0,22,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.0,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2PdHfO4,Zn2PdHfO4,trimetallic_oxide,3,"Hf, O, Pd, Zn",-3.69,0.428,0.95,0.276,0.327,excellent,3,0.5,0.5,4,26.25,2.57,107.0,12.75,3.375,4.0,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,141.0,8.0,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,42.2,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnPdBiO4,ZnPdBiO4,trimetallic_oxide,3,"Bi, O, Pd, Zn",-3.34,0.32,1.32,0.413,0.273,excellent,3,0.5714285714285714,0.4285714285714286,4,27.285714285714285,2.804285714285714,100.85714285714286,14.428571428571429,3.2857142857142856,4.285714285714285,3.44,1.65,1.79,143,73,70,83,8,2.2,1.65,0.5500000000000003,137.99999999999997,9.999999999999998,30,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,12.1,25.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnPdBi2O4,ZnPdBi2O4,trimetallic_oxide,3,"Bi, O, Pd, Zn",-2.85,0.052,1.44,0.198,0.277,good,2,0.5,0.5,4,34.25,2.70625,106.125,14.5,3.625,5.0,3.44,1.65,1.79,143,73,70,83,8,2.2,1.65,0.5500000000000003,139.25,10.0,30,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,65.8,32.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2PdBiO4,Zn2PdBiO4,trimetallic_oxide,3,"Bi, O, Pd, Zn",-3.25,0.131,1.23,0.196,0.293,excellent,3,0.5,0.5,4,27.625,2.66,105.0,14.125,3.375,5.0,3.44,1.65,1.79,143,73,70,83,8,2.2,1.65,0.5500000000000003,137.0,10.0,30,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,45.0,13.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnAgAuO4,ZnAgAuO4,trimetallic_oxide,3,"Ag, Au, O, Zn",-2.93,0.285,1.2,0.142,0.249,good,2,0.5714285714285714,0.4285714285714286,4,26.85714285714285,2.84,102.0,14.0,3.2857142857142856,4.285714285714285,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,140.66666666666666,9.999999999999998,30,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,17.1,38.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnAgAu2O4,ZnAgAu2O4,trimetallic_oxide,3,"Ag, Au, O, Zn",-3.18,0.265,1.2,0.36,0.228,excellent,3,0.5,0.5,4,33.375,2.8025,107.25,13.625,3.625,5.0,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,141.5,10.0,30,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,36.4,47.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2AgAuO4,Zn2AgAuO4,trimetallic_oxide,3,"Ag, Au, O, Zn",-3.29,0.009,1.12,0.255,0.194,excellent,3,0.5,0.5,4,27.25,2.69125,106.0,13.75,3.375,5.0,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,139.0,10.0,30,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,51.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnHfIrO4,ZnHfIrO4,trimetallic_oxide,3,"Hf, Ir, O, Zn",-2.99,0.106,1.01,0.332,0.182,good,2,0.5714285714285714,0.4285714285714286,4,30.142857142857142,2.701428571428571,103.0,12.714285714285714,3.4285714285714284,2.714285714285714,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,143.0,6.333333333333332,19,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,61.8,23.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnHfIr2O4,ZnHfIr2O4,trimetallic_oxide,3,"Hf, Ir, O, Zn",-2.22,0.211,0.84,0.392,0.29,good,2,0.5,0.5,4,36.0,2.63875,107.125,12.25,3.75,3.25,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,141.25,6.5,19,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.5,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2HfIrO4,Zn2HfIrO4,trimetallic_oxide,3,"Hf, Ir, O, Zn",-2.95,0.421,0.88,0.246,0.293,good,2,0.5,0.5,4,30.125,2.57,106.875,12.625,3.5,3.625,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,140.75,7.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,28.8,26.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnTaOsO4,ZnTaOsO4,trimetallic_oxide,3,"O, Os, Ta, Zn",-2.62,0.054,1.01,0.336,0.23,good,2,0.5714285714285714,0.4285714285714286,4,30.142857142857142,2.7299999999999995,101.0,12.714285714285714,3.4285714285714284,2.714285714285714,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,138.33333333333331,6.333333333333332,19,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.5,29.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnTaOs2O4,ZnTaOs2O4,trimetallic_oxide,3,"O, Os, Ta, Zn",-2.68,0.096,1.04,0.291,0.286,good,2,0.5,0.5,4,35.875,2.66375,105.25,12.125,3.75,3.125,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,137.5,6.25,19,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,29.6,50.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2TaOsO4,Zn2TaOsO4,trimetallic_oxide,3,"O, Os, Ta, Zn",-2.17,0.025,0.92,0.31,0.308,good,2,0.5,0.5,4,30.125,2.595,105.125,12.625,3.5,3.625,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,137.25,7.25,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,24.3,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnWOsO4,ZnWOsO4,trimetallic_oxide,3,"O, Os, W, Zn",-2.6,0.087,0.56,0.256,0.268,good,2,0.5714285714285714,0.4285714285714286,4,30.285714285714285,2.8528571428571428,100.0,12.857142857142856,3.4285714285714284,2.8571428571428568,3.44,1.65,1.79,139,73,66,76,8,2.36,1.65,0.71,136.0,6.666666666666666,20,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,53.3,21.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnWOs2O4,ZnWOs2O4,trimetallic_oxide,3,"O, Os, W, Zn",-3.28,0.373,0.61,0.226,0.288,good,2,0.5,0.5,4,36.0,2.77125,104.375,12.25,3.75,3.25,3.44,1.65,1.79,139,73,66,76,8,2.36,1.65,0.71,135.75,6.5,20,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,32.1,9.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2WOsO4,Zn2WOsO4,trimetallic_oxide,3,"O, Os, W, Zn",-2.65,0.021,0.72,0.149,0.236,good,2,0.5,0.5,4,30.25,2.7025,104.25,12.75,3.5,3.75,3.44,1.65,1.79,139,73,66,76,8,2.36,1.65,0.71,135.5,7.5,20,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.9,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnReIrO4,ZnReIrO4,trimetallic_oxide,3,"Ir, O, Re, Zn",-3.4,0.163,1.04,0.254,0.396,excellent,3,0.5714285714285714,0.4285714285714286,4,30.57142857142857,2.787142857142857,99.85714285714286,13.142857142857142,3.4285714285714284,3.1428571428571423,3.44,1.65,1.79,137,73,64,77,8,2.2,1.65,0.5500000000000003,135.66666666666666,7.333333333333332,22,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.0,59.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnReIr2O4,ZnReIr2O4,trimetallic_oxide,3,"Ir, O, Re, Zn",-2.82,0.086,0.99,0.242,0.282,good,2,0.5,0.5,4,36.375,2.71375,104.375,12.625,3.75,3.625,3.44,1.65,1.79,137,73,64,77,8,2.2,1.65,0.5500000000000003,135.75,7.25,22,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.6,57.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2ReIrO4,Zn2ReIrO4,trimetallic_oxide,3,"Ir, O, Re, Zn",-2.82,0.228,0.78,0.289,0.244,good,2,0.5,0.5,4,30.5,2.645,104.125,13.0,3.5,4.0,3.44,1.65,1.79,137,73,64,77,8,2.2,1.65,0.5500000000000003,135.25,8.0,22,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,45.3,7.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnOsAuO4,ZnOsAuO4,trimetallic_oxide,3,"Au, O, Os, Zn",-3.0,0.041,0.86,0.295,0.206,good,2,0.5714285714285714,0.4285714285714286,4,31.0,2.878571428571428,100.71428571428572,13.571428571428571,3.4285714285714284,3.714285714285714,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,137.66666666666666,8.666666666666664,26,10,0.1428571428571428,0.0,0.2857142857142857,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,55.8,38.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnOsAu2O4,ZnOsAu2O4,trimetallic_oxide,3,"Au, O, Os, Zn",-2.57,0.016,1.27,0.278,0.348,good,2,0.5,0.5,4,37.0,2.83625,106.125,13.25,3.75,4.5,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,139.25,9.0,26,10,0.125,0.0,0.375,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,25.0,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2OsAuO4,Zn2OsAuO4,trimetallic_oxide,3,"Au, O, Os, Zn",-3.56,0.038,0.94,0.326,0.337,excellent,3,0.5,0.5,4,30.875,2.725,104.875,13.375,3.5,4.5,3.44,1.65,1.79,144,73,71,79,8,2.54,1.65,0.8900000000000001,136.75,9.0,26,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.6,12.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnIrBiO4,ZnIrBiO4,trimetallic_oxide,3,"Bi, Ir, O, Zn",-2.85,0.24,0.62,0.259,0.229,good,2,0.5714285714285714,0.4285714285714286,4,31.71428571428571,2.804285714285714,100.71428571428572,14.285714285714285,3.4285714285714284,3.8571428571428568,3.44,1.65,1.79,143,73,70,83,8,2.2,1.65,0.5500000000000003,137.66666666666666,8.999999999999998,27,10,0.1428571428571428,0.0,0.2857142857142857,0.1428571428571428,0,0,0.0,True,False,True,True,False,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,41.9,25.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnIrBi2O4,ZnIrBi2O4,trimetallic_oxide,3,"Bi, Ir, O, Zn",-3.14,0.517,0.91,0.129,0.3,good,2,0.5,0.5,4,38.125,2.70625,106.0,14.375,3.75,4.625,3.44,1.65,1.79,143,73,70,83,8,2.2,1.65,0.5500000000000003,139.0,9.25,27,10,0.125,0.0,0.375,0.25,0,0,0.0,True,False,True,True,False,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,39.3,27.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2IrBiO4,Zn2IrBiO4,trimetallic_oxide,3,"Bi, Ir, O, Zn",-2.53,0.04,1.44,0.359,0.171,good,2,0.5,0.5,4,31.5,2.66,104.875,14.0,3.5,4.625,3.44,1.65,1.79,143,73,70,83,8,2.2,1.65,0.5500000000000003,136.75,9.25,27,10,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,66.0,55.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnAuSnO4,ZnAuSnO4,trimetallic_oxide,3,"Au, O, Sn, Zn",-2.89,0.022,0.86,0.416,0.154,good,2,0.5714285714285714,0.4285714285714286,4,27.285714285714285,2.844285714285714,102.14285714285714,14.428571428571429,3.2857142857142856,4.285714285714285,3.44,1.65,1.79,145,73,72,79,8,2.54,1.65,0.8900000000000001,140.99999999999997,9.999999999999998,30,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,35.6,56.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnAuSn2O4,ZnAuSn2O4,trimetallic_oxide,3,"Au, O, Sn, Zn",-3.46,0.06,0.63,0.364,0.198,excellent,3,0.5,0.5,4,30.125,2.73375,107.5,14.375,3.5,5.0,3.44,1.65,1.79,145,73,72,79,8,2.54,1.65,0.8900000000000001,142.0,10.0,30,10,0.125,0.25,0.125,0.25,0,0,0.0,True,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,35.2,16.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2AuSnO4,Zn2AuSnO4,trimetallic_oxide,3,"Au, O, Sn, Zn",-3.22,0.09,1.32,0.373,0.214,excellent,3,0.5,0.5,4,27.625,2.695,106.125,14.125,3.375,5.0,3.44,1.65,1.79,145,73,72,79,8,2.54,1.65,0.8900000000000001,139.25,10.0,30,10,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,23.4,57.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnSnCeO4,ZnSnCeO4,trimetallic_oxide,3,"Ce, O, Sn, Zn",-2.31,0.038,0.69,0.302,0.202,good,2,0.5714285714285714,0.4285714285714286,4,24.285714285714285,2.641428571428571,107.57142857142856,13.285714285714285,3.2857142857142856,3.0,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,153.66666666666666,6.999999999999998,21,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,True,True,False,False,True,False,False,True,Rhombohedral,0,0,0,0,0,1,0,19.1,32.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZnSnCe2O4,ZnSnCe2O4,trimetallic_oxide,3,"Ce, O, Sn, Zn",-2.56,0.161,1.31,0.364,0.317,good,2,0.5,0.5,4,28.5,2.45125,116.875,12.0,3.625,2.75,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,160.75,5.5,21,10,0.125,0.125,0.25,0.125,0,0,0.25,True,True,True,False,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,62.2,21.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zn2SnCeO4,Zn2SnCeO4,trimetallic_oxide,3,"Ce, O, Sn, Zn",-2.72,0.047,1.08,0.142,0.223,good,2,0.5,0.5,4,25.0,2.5175,110.875,13.125,3.375,3.875,3.44,1.12,2.32,182,73,109,58,8,1.96,1.12,0.8399999999999999,148.75,7.75,21,10,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,False,False,True,False,False,True,Triclinic,0,0,0,0,0,0,1,22.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrNbTaO4,ZrNbTaO4,trimetallic_oxide,3,"Nb, O, Ta, Zr",-3.01,0.028,1.11,0.414,0.315,good,2,0.5714285714285714,0.4285714285714286,4,26.57142857142857,2.5985714285714283,106.28571428571428,11.142857142857142,3.4285714285714284,1.2857142857142856,3.44,1.33,2.11,160,73,87,73,8,1.6,1.33,0.27,150.66666666666666,3.0,9,4,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,37.5,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrNbTa2O4,ZrNbTa2O4,trimetallic_oxide,3,"Nb, O, Ta, Zr",-3.35,0.093,1.03,0.42,0.498,excellent,3,0.5,0.5,4,32.375,2.46125,111.25,10.375,3.75,1.5,3.44,1.33,2.11,160,73,87,73,8,1.6,1.33,0.27,149.5,3.0,9,4,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,13.0,30.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2NbTaO4,Zr2NbTaO4,trimetallic_oxide,3,"Nb, O, Ta, Zr",-3.34,0.316,0.56,0.366,0.436,good,2,0.5,0.5,4,28.25,2.44,113.0,10.25,3.625,1.375,3.44,1.33,2.11,160,73,87,73,8,1.6,1.33,0.27,153.0,2.75,9,4,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,64.2,12.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrNbLaO4,ZrNbLaO4,trimetallic_oxide,3,"La, Nb, O, Zr",-2.58,0.079,1.8,0.356,0.439,good,2,0.5714285714285714,0.4285714285714286,4,24.285714285714285,2.541428571428572,112.14285714285714,10.857142857142856,3.4285714285714284,1.0,3.44,1.1,2.34,187,73,114,57,8,1.6,1.1,0.5,164.33333333333331,2.333333333333333,7,4,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,48.9,27.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrNbLa2O4,ZrNbLa2O4,trimetallic_oxide,3,"La, Nb, O, Zr",-3.51,0.219,0.89,0.55,0.39,excellent,3,0.5,0.5,4,28.375,2.36125,121.5,9.875,3.75,1.0,3.44,1.1,2.34,187,73,114,57,8,1.6,1.1,0.5,170.0,2.0,7,4,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,32.1,18.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2NbLaO4,Zr2NbLaO4,trimetallic_oxide,3,"La, Nb, O, Zr",-2.69,0.1,1.9,0.153,0.313,good,2,0.5,0.5,4,26.25,2.39,118.125,10.0,3.625,1.125,3.44,1.1,2.34,187,73,114,57,8,1.6,1.1,0.5,163.25,2.25,7,4,0.0,0.375,0.125,0.0,0,0,0.125,False,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,48.4,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrMoOsO4,ZrMoOsO4,trimetallic_oxide,3,"Mo, O, Os, Zr",-3.24,0.098,0.78,0.266,0.361,good,2,0.5714285714285714,0.4285714285714286,4,27.14285714285714,2.7785714285714285,103.71428571428572,11.714285714285714,3.4285714285714284,1.857142857142857,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,144.66666666666663,4.333333333333333,13,6,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,47.4,6.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrMoOs2O4,ZrMoOs2O4,trimetallic_oxide,3,"Mo, O, Os, Zr",-2.49,0.239,0.57,0.423,0.251,good,2,0.5,0.5,4,33.25,2.70625,107.625,11.25,3.75,2.375,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,142.25,4.75,13,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.5,29.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2MoOsO4,Zr2MoOsO4,trimetallic_oxide,3,"Mo, O, Os, Zr",-3.14,0.345,1.37,0.365,0.26,excellent,3,0.5,0.5,4,28.75,2.5975,110.75,10.75,3.625,1.875,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,148.5,3.75,13,6,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.4,44.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrRuPdO4,ZrRuPdO4,trimetallic_oxide,3,"O, Pd, Ru, Zr",-3.42,0.078,0.76,0.28,0.289,excellent,3,0.5714285714285714,0.4285714285714286,4,23.142857142857142,2.7842857142857143,103.28571428571428,12.285714285714285,3.2857142857142856,2.714285714285714,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,143.66666666666663,6.333333333333332,19,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,41.1,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrRuPd2O4,ZrRuPd2O4,trimetallic_oxide,3,"O, Pd, Ru, Zr",-2.95,0.051,1.24,0.336,0.159,good,2,0.5,0.5,4,26.0,2.71125,107.5,12.0,3.5,3.625,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,142.0,7.25,19,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,46.9,50.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2RuPdO4,Zr2RuPdO4,trimetallic_oxide,3,"O, Pd, Ru, Zr",-2.37,0.044,1.52,0.313,0.25,good,2,0.5,0.5,4,25.25,2.6025,110.375,11.25,3.5,2.625,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,147.75,5.25,19,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,5.0,27.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrRuAlO4,ZrRuAlO4,trimetallic_oxide,3,"Al, O, Ru, Zr",-2.69,0.811,1.79,0.473,0.242,good,2,0.5714285714285714,0.4285714285714286,4,18.428571428571427,2.7,100.57142857142856,12.714285714285714,3.0,1.2857142857142856,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,137.33333333333331,3.0,9,7,0.1428571428571428,0.2857142857142857,0.0,0.1428571428571428,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,25.9,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrRuAl2O4,ZrRuAl2O4,trimetallic_oxide,3,"Al, O, Ru, Zr",-2.19,0.102,2.51,0.481,0.264,good,2,0.5,0.5,4,17.75,2.56375,102.75,12.75,3.0,1.125,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,132.5,2.25,9,7,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,38.0,36.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2RuAlO4,Zr2RuAlO4,trimetallic_oxide,3,"Al, O, Ru, Zr",-2.02,0.211,1.88,0.288,0.273,good,2,0.5,0.5,4,21.125,2.52875,108.0,11.625,3.25,1.375,3.44,1.33,2.11,160,73,87,44,8,2.2,1.33,0.8700000000000001,143.0,2.75,9,7,0.125,0.375,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,42.9,13.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrRhReO4,ZrRhReO4,trimetallic_oxide,3,"O, Re, Rh, Zr",-3.32,0.167,1.07,0.22,0.279,excellent,3,0.5714285714285714,0.4285714285714286,4,27.428571428571427,2.7528571428571427,103.28571428571428,12.0,3.4285714285714284,2.142857142857143,3.44,1.33,2.11,160,73,87,75,8,2.28,1.33,0.9499999999999996,143.66666666666663,4.999999999999999,15,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.7,46.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrRhRe2O4,ZrRhRe2O4,trimetallic_oxide,3,"O, Re, Rh, Zr",-2.4,0.037,1.13,0.239,0.287,good,2,0.5,0.5,4,33.375,2.64625,107.5,11.375,3.75,2.5,3.44,1.33,2.11,160,73,87,75,8,2.28,1.33,0.9499999999999996,142.0,5.0,15,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.7,22.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2RhReO4,Zr2RhReO4,trimetallic_oxide,3,"O, Re, Rh, Zr",-2.83,0.012,1.47,0.26,0.374,good,2,0.5,0.5,4,29.0,2.575,110.375,11.0,3.625,2.125,3.44,1.33,2.11,160,73,87,75,8,2.28,1.33,0.9499999999999996,147.75,4.25,15,8,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,29.1,42.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrPdAgO4,ZrPdAgO4,trimetallic_oxide,3,"Ag, O, Pd, Zr",-3.0,0.251,1.24,0.256,0.2,good,2,0.5714285714285714,0.4285714285714286,4,23.57142857142857,2.7457142857142856,104.71428571428572,12.714285714285714,3.2857142857142856,3.1428571428571423,3.44,1.33,2.11,160,73,87,47,8,2.2,1.33,0.8700000000000001,146.99999999999997,7.333333333333332,22,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.5,36.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrPdAg2O4,ZrPdAg2O4,trimetallic_oxide,3,"Ag, O, Pd, Zr",-2.36,0.032,1.46,0.209,0.15,good,2,0.5,0.5,4,26.5,2.64375,109.625,12.5,3.5,4.0,3.44,1.33,2.11,160,73,87,47,8,2.2,1.33,0.8700000000000001,146.25,8.0,22,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,49.1,8.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2PdAgO4,Zr2PdAgO4,trimetallic_oxide,3,"Ag, O, Pd, Zr",-2.93,0.128,1.51,0.432,0.281,good,2,0.5,0.5,4,25.625,2.56875,111.625,11.625,3.5,3.0,3.44,1.33,2.11,160,73,87,47,8,2.2,1.33,0.8700000000000001,150.25,6.0,22,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,8.8,18.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrPdSnO4,ZrPdSnO4,trimetallic_oxide,3,"O, Pd, Sn, Zr",-2.4,0.137,0.77,0.488,0.248,good,2,0.5714285714285714,0.4285714285714286,4,24.0,2.75,104.85714285714285,13.142857142857142,3.2857142857142856,3.1428571428571423,3.44,1.33,2.11,160,73,87,50,8,2.2,1.33,0.8700000000000001,147.33333333333331,7.333333333333332,22,10,0.0,0.4285714285714285,0.0,0.1428571428571428,0,0,0.0,False,True,False,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,33.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrPdSn2O4,ZrPdSn2O4,trimetallic_oxide,3,"O, Pd, Sn, Zr",-3.02,0.104,1.28,0.284,0.18,good,2,0.5,0.5,4,27.25,2.65125,109.875,13.25,3.5,4.0,3.44,1.33,2.11,160,73,87,50,8,2.2,1.33,0.8700000000000001,146.75,8.0,22,10,0.0,0.5,0.0,0.25,0,0,0.0,False,True,False,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,18.3,55.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2PdSnO4,Zr2PdSnO4,trimetallic_oxide,3,"O, Pd, Sn, Zr",-3.19,0.027,1.41,0.354,0.342,excellent,3,0.5,0.5,4,26.0,2.5725,111.75,12.0,3.5,3.0,3.44,1.33,2.11,160,73,87,50,8,2.2,1.33,0.8700000000000001,150.5,6.0,22,10,0.0,0.5,0.0,0.125,0,0,0.0,False,True,False,True,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,20.7,56.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrAgPtO4,ZrAgPtO4,trimetallic_oxide,3,"Ag, O, Pt, Zr",-2.98,0.355,1.15,0.344,0.176,good,2,0.5714285714285714,0.4285714285714286,4,28.14285714285714,2.757142857142857,105.0,12.714285714285714,3.4285714285714284,3.0,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,147.66666666666663,6.999999999999999,21,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,25.3,60.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrAgPt2O4,ZrAgPt2O4,trimetallic_oxide,3,"Ag, O, Pt, Zr",-2.58,0.028,1.05,0.316,0.26,good,2,0.5,0.5,4,34.375,2.6975,109.25,12.375,3.75,3.75,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,145.5,7.5,21,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,41.6,34.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2AgPtO4,Zr2AgPtO4,trimetallic_oxide,3,"Ag, O, Pt, Zr",-2.74,0.019,1.07,0.266,0.338,good,2,0.5,0.5,4,29.625,2.57875,111.875,11.625,3.625,2.875,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,150.75,5.75,21,10,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.4,26.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrHfOsO4,ZrHfOsO4,trimetallic_oxide,3,"Hf, O, Os, Zr",-2.59,0.007,0.99,0.256,0.416,good,2,0.5714285714285714,0.4285714285714286,4,31.428571428571423,2.6557142857142857,106.57142857142856,11.428571428571429,3.571428571428571,1.4285714285714284,3.44,1.3,2.14,160,73,87,76,8,2.2,1.3,0.9000000000000001,151.33333333333331,3.333333333333333,10,6,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,31.1,40.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrHfOs2O4,ZrHfOs2O4,trimetallic_oxide,3,"Hf, O, Os, Zr",-2.16,0.136,1.14,0.433,0.265,good,2,0.5,0.5,4,37.0,2.59875,110.125,11.0,3.875,2.0,3.44,1.3,2.14,160,73,87,76,8,2.2,1.3,0.9000000000000001,147.25,4.0,10,6,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,34.3,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2HfOsO4,Zr2HfOsO4,trimetallic_oxide,3,"Hf, O, Os, Zr",-3.71,0.002,1.19,0.313,0.352,excellent,3,0.5,0.5,4,32.5,2.49,113.25,10.5,3.75,1.5,3.44,1.3,2.14,160,73,87,76,8,2.2,1.3,0.9000000000000001,153.5,3.0,10,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,16.5,17.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrTaReO4,ZrTaReO4,trimetallic_oxide,3,"O, Re, Ta, Zr",-3.12,0.277,1.37,0.373,0.361,excellent,3,0.5714285714285714,0.4285714285714286,4,31.428571428571427,2.641428571428571,105.0,11.428571428571429,3.571428571428571,1.4285714285714284,3.44,1.33,2.11,160,73,87,75,8,1.9,1.33,0.5699999999999998,147.66666666666663,3.333333333333333,10,5,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,52.2,56.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrTaRe2O4,ZrTaRe2O4,trimetallic_oxide,3,"O, Re, Ta, Zr",-2.48,0.047,0.88,0.36,0.293,good,2,0.5,0.5,4,36.875,2.54875,109.0,10.875,3.875,1.875,3.44,1.33,2.11,160,73,87,75,8,1.9,1.33,0.5699999999999998,145.0,3.75,10,5,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,40.1,36.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2TaReO4,Zr2TaReO4,trimetallic_oxide,3,"O, Re, Ta, Zr",-3.17,0.159,0.89,0.346,0.409,good,2,0.5,0.5,4,32.5,2.4775,111.875,10.5,3.75,1.5,3.44,1.33,2.11,160,73,87,75,8,1.9,1.33,0.5699999999999998,150.75,3.0,10,5,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.4,18.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrWReO4,ZrWReO4,trimetallic_oxide,3,"O, Re, W, Zr",-2.55,0.045,0.32,0.194,0.39,good,2,0.5714285714285714,0.4285714285714286,4,31.57142857142857,2.7642857142857142,104.0,11.571428571428571,3.571428571428571,1.5714285714285712,3.44,1.33,2.11,160,73,87,75,8,2.36,1.33,1.0299999999999998,145.33333333333331,3.666666666666666,11,5,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,31.3,8.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrWRe2O4,ZrWRe2O4,trimetallic_oxide,3,"O, Re, W, Zr",-3.45,0.64,1.15,0.481,0.326,excellent,3,0.5,0.5,4,37.0,2.65625,108.125,11.0,3.875,2.0,3.44,1.33,2.11,160,73,87,75,8,2.36,1.33,1.0299999999999998,143.25,4.0,11,5,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,69.0,56.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2WReO4,Zr2WReO4,trimetallic_oxide,3,"O, Re, W, Zr",-3.15,0.082,0.82,0.366,0.351,good,2,0.5,0.5,4,32.625,2.585,111.0,10.625,3.75,1.625,3.44,1.33,2.11,160,73,87,75,8,2.36,1.33,1.0299999999999998,149.0,3.25,11,5,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,27.9,19.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrReOsO4,ZrReOsO4,trimetallic_oxide,3,"O, Os, Re, Zr",-2.8,0.094,1.16,0.217,0.408,good,2,0.5714285714285714,0.4285714285714286,4,31.85714285714285,2.741428571428571,103.42857142857142,11.857142857142856,3.571428571428571,1.857142857142857,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,143.99999999999997,4.333333333333333,13,6,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.2,19.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrReOs2O4,ZrReOs2O4,trimetallic_oxide,3,"O, Os, Re, Zr",-2.67,0.086,1.31,0.376,0.206,good,2,0.5,0.5,4,37.375,2.67375,107.375,11.375,3.875,2.375,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,141.75,4.75,13,6,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,37.0,49.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2ReOsO4,Zr2ReOsO4,trimetallic_oxide,3,"O, Os, Re, Zr",-2.81,0.052,1.31,0.381,0.334,good,2,0.5,0.5,4,32.875,2.565,110.5,10.875,3.75,1.875,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,148.0,3.75,13,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.6,9.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrOsPtO4,ZrOsPtO4,trimetallic_oxide,3,"O, Os, Pt, Zr",-2.98,0.072,1.34,0.429,0.273,good,2,0.5714285714285714,0.4285714285714286,4,32.285714285714285,2.7957142857142854,103.71428571428572,12.285714285714285,3.571428571428571,2.4285714285714284,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,144.66666666666663,5.666666666666666,17,9,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,30.1,18.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrOsPt2O4,ZrOsPt2O4,trimetallic_oxide,3,"O, Os, Pt, Zr",-3.08,0.023,0.77,0.231,0.271,good,2,0.5,0.5,4,38.0,2.73125,108.125,12.0,3.875,3.25,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,143.25,6.5,17,9,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,17.2,39.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2OsPtO4,Zr2OsPtO4,trimetallic_oxide,3,"O, Os, Pt, Zr",-3.07,0.008,1.27,0.218,0.283,good,2,0.5,0.5,4,33.25,2.6125,110.75,11.25,3.75,2.375,3.44,1.33,2.11,160,73,87,78,8,2.28,1.33,0.9499999999999996,148.5,4.75,17,9,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,55.6,17.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrIrSnO4,ZrIrSnO4,trimetallic_oxide,3,"Ir, O, Sn, Zr",-2.13,0.335,0.84,0.403,0.201,good,2,0.5714285714285714,0.4285714285714286,4,28.428571428571427,2.75,104.71428571428572,13.0,3.4285714285714284,2.714285714285714,3.44,1.33,2.11,160,73,87,77,8,2.2,1.33,0.8700000000000001,146.99999999999997,6.333333333333332,19,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,51.9,22.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrIrSn2O4,ZrIrSn2O4,trimetallic_oxide,3,"Ir, O, Sn, Zr",-3.4,0.056,1.04,0.194,0.304,excellent,3,0.5,0.5,4,31.125,2.65125,109.75,13.125,3.625,3.625,3.44,1.33,2.11,160,73,87,77,8,2.2,1.33,0.8700000000000001,146.5,7.25,19,10,0.0,0.375,0.125,0.25,0,0,0.0,False,True,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,64.6,32.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2IrSnO4,Zr2IrSnO4,trimetallic_oxide,3,"Ir, O, Sn, Zr",-2.89,0.106,1.15,0.239,0.245,good,2,0.5,0.5,4,29.875,2.5725,111.625,11.875,3.625,2.625,3.44,1.33,2.11,160,73,87,77,8,2.2,1.33,0.8700000000000001,150.25,5.25,19,10,0.0,0.375,0.125,0.125,0,0,0.0,False,True,True,True,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,41.4,21.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrAuAlO4,ZrAuAlO4,trimetallic_oxide,3,"Al, Au, O, Zr",-3.27,0.107,1.32,0.305,0.351,excellent,3,0.5714285714285714,0.4285714285714286,4,23.428571428571427,2.748571428571428,102.0,13.142857142857142,3.142857142857143,1.714285714285714,3.44,1.33,2.11,160,73,87,79,8,2.54,1.33,1.21,140.66666666666663,3.999999999999999,12,10,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.0,True,True,True,True,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,29.9,19.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrAuAl2O4,ZrAuAl2O4,trimetallic_oxide,3,"Al, Au, O, Zr",-3.13,0.016,1.58,0.468,0.348,excellent,3,0.5,0.5,4,22.125,2.60625,104.0,13.125,3.125,1.5,3.44,1.33,2.11,160,73,87,79,8,2.54,1.33,1.21,135.0,3.0,12,10,0.25,0.125,0.125,0.25,0,0,0.0,True,True,True,True,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,26.4,13.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2AuAlO4,Zr2AuAlO4,trimetallic_oxide,3,"Al, Au, O, Zr",-3.0,0.038,1.18,0.394,0.375,good,2,0.5,0.5,4,25.5,2.57125,109.25,12.0,3.375,1.75,3.44,1.33,2.11,160,73,87,79,8,2.54,1.33,1.21,145.5,3.5,12,10,0.125,0.25,0.125,0.125,0,0,0.0,True,True,True,True,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,40.9,17.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrSnLaO4,ZrSnLaO4,trimetallic_oxide,3,"La, O, Sn, Zr",-3.19,0.774,1.22,0.264,0.24,excellent,3,0.5714285714285714,0.4285714285714286,4,25.57142857142857,2.5928571428571425,112.0,12.142857142857142,3.4285714285714284,1.857142857142857,3.44,1.1,2.34,187,73,114,57,8,1.96,1.1,0.8599999999999999,163.99999999999997,4.333333333333332,13,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,False,True,True,False,True,True,False,False,True,Triclinic,0,0,0,0,0,0,1,49.2,9.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_ZrSnLa2O4,ZrSnLa2O4,trimetallic_oxide,3,"La, O, Sn, Zr",-2.57,0.772,1.08,0.356,0.407,good,2,0.5,0.5,4,29.5,2.40625,121.375,11.0,3.75,1.75,3.44,1.1,2.34,187,73,114,57,8,1.96,1.1,0.8599999999999999,169.75,3.5,13,10,0.0,0.25,0.25,0.125,0,0,0.25,False,True,True,False,True,True,False,False,True,Monoclinic,0,0,0,0,1,0,0,57.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Zr2SnLaO4,Zr2SnLaO4,trimetallic_oxide,3,"La, O, Sn, Zr",-2.92,0.272,1.56,0.353,0.379,good,2,0.5,0.5,4,27.375,2.435,118.0,11.125,3.625,1.875,3.44,1.1,2.34,187,73,114,57,8,1.96,1.1,0.8599999999999999,163.0,3.75,13,10,0.0,0.375,0.125,0.125,0,0,0.125,False,True,True,False,True,True,False,False,True,Rhombohedral,0,0,0,0,0,1,0,42.0,16.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbMoTaO4,NbMoTaO4,trimetallic_oxide,3,"Mo, Nb, O, Ta",-2.36,0.238,1.36,0.358,0.376,good,2,0.5714285714285714,0.4285714285714286,4,26.857142857142858,2.717142857142857,103.28571428571428,11.428571428571429,3.4285714285714284,1.7142857142857142,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,143.66666666666666,4.0,12,5,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,39.8,37.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbMoTa2O4,NbMoTa2O4,trimetallic_oxide,3,"Mo, Nb, O, Ta",-2.79,0.409,0.6,0.3,0.333,good,2,0.5,0.5,4,32.625,2.565,108.625,10.625,3.75,1.875,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,144.25,3.75,12,5,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,36.9,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2MoTaO4,Nb2MoTaO4,trimetallic_oxide,3,"Mo, Nb, O, Ta",-2.8,0.061,1.02,0.409,0.282,good,2,0.5,0.5,4,28.625,2.5775,108.625,10.625,3.625,2.0,3.44,1.5,1.94,146,73,73,73,8,2.16,1.5,0.6600000000000001,144.25,4.0,12,5,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,48.0,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbMoLaO4,NbMoLaO4,trimetallic_oxide,3,"La, Mo, Nb, O",-2.34,0.128,1.27,0.426,0.399,good,2,0.5714285714285714,0.4285714285714286,4,24.57142857142857,2.66,109.14285714285714,11.142857142857142,3.4285714285714284,1.4285714285714284,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,157.33333333333331,3.333333333333333,10,5,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.1428571428571428,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,53.9,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbMoLa2O4,NbMoLa2O4,trimetallic_oxide,3,"La, Mo, Nb, O",-2.82,0.014,1.29,0.282,0.354,good,2,0.5,0.5,4,28.625,2.465,118.875,10.125,3.75,1.375,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,164.75,2.75,10,5,0.0,0.25,0.25,0.0,0,0,0.25,False,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,46.5,28.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2MoLaO4,Nb2MoLaO4,trimetallic_oxide,3,"La, Mo, Nb, O",-2.96,0.02,0.96,0.443,0.338,good,2,0.5,0.5,4,26.625,2.5275,113.75,10.375,3.625,1.75,3.44,1.1,2.34,187,73,114,57,8,2.16,1.1,1.06,154.5,3.5,10,5,0.0,0.375,0.125,0.0,0,0,0.125,False,True,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,12.0,38.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbRuIrO4,NbRuIrO4,trimetallic_oxide,3,"Ir, Nb, O, Ru",-3.22,0.011,0.73,0.371,0.15,good,2,0.5714285714285714,0.4285714285714286,4,27.714285714285715,2.8228571428571425,101.14285714285714,12.285714285714285,3.4285714285714284,2.571428571428571,3.44,1.6,1.84,146,73,73,77,8,2.2,1.6,0.6000000000000001,138.66666666666666,5.999999999999999,18,7,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,31.3,41.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbRuIr2O4,NbRuIr2O4,trimetallic_oxide,3,"Ir, Nb, O, Ru",-3.3,0.177,1.06,0.362,0.316,excellent,3,0.5,0.5,4,33.875,2.745,105.5,11.875,3.75,3.125,3.44,1.6,1.84,146,73,73,77,8,2.2,1.6,0.6000000000000001,138.0,6.25,18,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,59.8,22.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2RuIrO4,Nb2RuIrO4,trimetallic_oxide,3,"Ir, Nb, O, Ru",-2.73,0.022,0.98,0.262,0.251,good,2,0.5,0.5,4,29.375,2.67,106.75,11.375,3.625,2.75,3.44,1.6,1.84,146,73,73,77,8,2.2,1.6,0.6000000000000001,140.5,5.5,18,7,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,35.9,35.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbRhHfO4,NbRhHfO4,trimetallic_oxide,3,"Hf, Nb, O, Rh",-3.5,0.061,0.92,0.437,0.311,excellent,3,0.5714285714285714,0.4285714285714286,4,27.14285714285714,2.705714285714285,104.42857142857144,11.714285714285714,3.4285714285714284,2.0,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.33333333333331,4.666666666666666,14,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,25.6,40.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbRhHf2O4,NbRhHf2O4,trimetallic_oxide,3,"Hf, Nb, O, Rh",-2.97,0.059,1.55,0.376,0.378,excellent,3,0.5,0.5,4,32.75,2.53,111.25,10.75,3.75,2.0,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,149.5,4.0,14,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.6,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2RhHfO4,Nb2RhHfO4,trimetallic_oxide,3,"Hf, Nb, O, Rh",-2.98,0.129,0.47,0.373,0.317,good,2,0.5,0.5,4,28.875,2.5675,109.625,10.875,3.625,2.25,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,146.25,4.5,14,8,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,41.2,40.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbRhBiO4,NbRhBiO4,trimetallic_oxide,3,"Bi, Nb, O, Rh",-2.42,0.034,1.25,0.292,0.3,good,2,0.5714285714285714,0.4285714285714286,4,28.71428571428571,2.8085714285714283,102.14285714285714,13.285714285714285,3.4285714285714284,3.1428571428571423,3.44,1.6,1.84,146,73,73,83,8,2.28,1.6,0.6799999999999997,141.0,7.333333333333332,22,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,25.1,27.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbRhBi2O4,NbRhBi2O4,trimetallic_oxide,3,"Bi, Nb, O, Rh",-2.57,0.016,1.22,0.334,0.231,good,2,0.5,0.5,4,35.5,2.71,107.25,13.5,3.75,4.0,3.44,1.6,1.84,146,73,73,83,8,2.28,1.6,0.6799999999999997,141.5,8.0,22,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,16.3,28.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2RhBiO4,Nb2RhBiO4,trimetallic_oxide,3,"Bi, Nb, O, Rh",-2.83,0.225,0.77,0.348,0.302,good,2,0.5,0.5,4,30.25,2.6575,107.625,12.25,3.625,3.25,3.44,1.6,1.84,146,73,73,83,8,2.28,1.6,0.6799999999999997,142.25,6.5,22,10,0.0,0.375,0.125,0.125,0,0,0.0,False,True,True,False,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,37.8,51.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbPdPtO4,NbPdPtO4,trimetallic_oxide,3,"Nb, O, Pd, Pt",-2.93,0.011,1.14,0.312,0.156,good,2,0.5714285714285714,0.4285714285714286,4,28.142857142857142,2.834285714285714,102.0,12.714285714285714,3.4285714285714284,3.2857142857142856,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,140.66666666666666,7.666666666666665,23,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.6,13.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbPdPt2O4,NbPdPt2O4,trimetallic_oxide,3,"Nb, O, Pd, Pt",-3.43,0.044,1.3,0.278,0.243,excellent,3,0.5,0.5,4,34.375,2.765,106.625,12.375,3.75,4.0,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,140.25,8.0,23,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,5.3,35.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2PdPtO4,Nb2PdPtO4,trimetallic_oxide,3,"Nb, O, Pd, Pt",-2.77,0.04,0.75,0.367,0.296,good,2,0.5,0.5,4,29.75,2.68,107.5,11.75,3.625,3.375,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,142.0,6.75,23,10,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,41.5,21.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbAgReO4,NbAgReO4,trimetallic_oxide,3,"Ag, Nb, O, Re",-2.14,0.09,1.14,0.484,0.346,good,2,0.5714285714285714,0.4285714285714286,4,27.85714285714285,2.741428571428571,102.71428571428572,12.428571428571429,3.4285714285714284,2.714285714285714,3.44,1.6,1.84,146,73,73,75,8,1.93,1.6,0.3299999999999998,142.33333333333331,6.333333333333332,19,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,14.9,14.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbAgRe2O4,NbAgRe2O4,trimetallic_oxide,3,"Ag, Nb, O, Re",-2.47,0.034,1.38,0.414,0.25,good,2,0.5,0.5,4,33.75,2.63625,107.0,11.75,3.75,3.0,3.44,1.6,1.84,146,73,73,75,8,1.93,1.6,0.3299999999999998,141.0,6.0,19,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,17.9,41.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2AgReO4,Nb2AgReO4,trimetallic_oxide,3,"Ag, Nb, O, Re",-2.24,0.002,0.57,0.391,0.181,good,2,0.5,0.5,4,29.5,2.59875,108.125,11.5,3.625,2.875,3.44,1.6,1.84,146,73,73,75,8,1.93,1.6,0.3299999999999998,143.25,5.75,19,10,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,40.5,23.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbHfTaO4,NbHfTaO4,trimetallic_oxide,3,"Hf, Nb, O, Ta",-3.22,0.046,1.62,0.356,0.399,excellent,3,0.5714285714285714,0.4285714285714286,4,31.142857142857142,2.5942857142857143,106.14285714285714,11.142857142857142,3.571428571428571,1.2857142857142856,3.44,1.3,2.14,159,73,86,73,8,1.6,1.3,0.3,150.33333333333331,3.0,9,4,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,23.9,24.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbHfTa2O4,NbHfTa2O4,trimetallic_oxide,3,"Hf, Nb, O, Ta",-2.87,0.235,1.41,0.299,0.353,good,2,0.5,0.5,4,36.375,2.4575,111.125,10.375,3.875,1.5,3.44,1.3,2.14,159,73,86,73,8,1.6,1.3,0.3,149.25,3.0,9,4,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.1,27.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2HfTaO4,Nb2HfTaO4,trimetallic_oxide,3,"Hf, Nb, O, Ta",-2.78,0.062,0.77,0.5,0.395,good,2,0.5,0.5,4,32.375,2.47,111.125,10.375,3.75,1.625,3.44,1.3,2.14,159,73,86,73,8,1.6,1.3,0.3,149.25,3.25,9,4,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,50.3,34.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbHfLaO4,NbHfLaO4,trimetallic_oxide,3,"Hf, La, Nb, O",-2.12,0.245,0.86,0.3,0.427,good,2,0.5714285714285714,0.4285714285714286,4,28.85714285714285,2.537142857142857,112.0,10.857142857142856,3.571428571428571,1.0,3.44,1.1,2.34,187,73,114,72,8,1.6,1.1,0.5,163.99999999999997,2.333333333333333,7,4,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.1428571428571428,False,True,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,54.1,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbHfLa2O4,NbHfLa2O4,trimetallic_oxide,3,"Hf, La, Nb, O",-2.98,0.42,0.95,0.376,0.377,good,2,0.5,0.5,4,32.375,2.3575,121.375,9.875,3.875,1.0,3.44,1.1,2.34,187,73,114,72,8,1.6,1.1,0.5,169.75,2.0,7,4,0.0,0.125,0.375,0.0,0,0,0.25,False,True,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,53.2,24.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2HfLaO4,Nb2HfLaO4,trimetallic_oxide,3,"Hf, La, Nb, O",-2.68,0.026,0.91,0.385,0.258,good,2,0.5,0.5,4,30.375,2.42,116.25,10.125,3.75,1.375,3.44,1.1,2.34,187,73,114,72,8,1.6,1.1,0.5,159.5,2.75,7,4,0.0,0.25,0.25,0.0,0,0,0.125,False,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,19.2,26.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbTaBiO4,NbTaBiO4,trimetallic_oxide,3,"Bi, Nb, O, Ta",-2.39,0.742,1.31,0.231,0.339,good,2,0.5714285714285714,0.4285714285714286,4,32.714285714285715,2.697142857142857,103.85714285714286,12.714285714285714,3.571428571428571,2.4285714285714284,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,145.0,5.666666666666666,17,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,44.8,34.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbTaBi2O4,NbTaBi2O4,trimetallic_oxide,3,"Bi, Nb, O, Ta",-2.66,0.184,1.5,0.468,0.253,good,2,0.5,0.5,4,39.0,2.6125,108.75,13.0,3.875,3.375,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,144.5,6.75,17,10,0.0,0.125,0.375,0.25,0,0,0.0,False,True,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,52.0,24.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2TaBiO4,Nb2TaBiO4,trimetallic_oxide,3,"Bi, Nb, O, Ta",-3.09,0.581,0.87,0.312,0.296,good,2,0.5,0.5,4,33.75,2.56,109.125,11.75,3.75,2.625,3.44,1.5,1.94,146,73,73,83,8,2.02,1.5,0.52,145.25,5.25,17,10,0.0,0.25,0.25,0.125,0,0,0.0,False,True,True,False,True,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,55.0,33.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbWBiO4,NbWBiO4,trimetallic_oxide,3,"Bi, Nb, O, W",-3.66,0.259,0.99,0.354,0.317,excellent,3,0.5714285714285714,0.4285714285714286,4,32.857142857142854,2.82,102.85714285714286,12.857142857142856,3.571428571428571,2.571428571428571,3.44,1.6,1.84,146,73,73,83,8,2.36,1.6,0.7599999999999998,142.66666666666666,5.999999999999999,18,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,21.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbWBi2O4,NbWBi2O4,trimetallic_oxide,3,"Bi, Nb, O, W",-2.89,0.078,0.82,0.32,0.287,good,2,0.5,0.5,4,39.125,2.72,107.875,13.125,3.875,3.5,3.44,1.6,1.84,146,73,73,83,8,2.36,1.6,0.7599999999999998,142.75,7.0,18,10,0.0,0.125,0.375,0.25,0,0,0.0,False,True,True,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,50.6,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2WBiO4,Nb2WBiO4,trimetallic_oxide,3,"Bi, Nb, O, W",-3.11,0.036,0.76,0.297,0.277,good,2,0.5,0.5,4,33.875,2.6675,108.25,11.875,3.75,2.75,3.44,1.6,1.84,146,73,73,83,8,2.36,1.6,0.7599999999999998,143.5,5.5,18,10,0.0,0.25,0.25,0.125,0,0,0.0,False,True,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,49.9,12.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbReLaO4,NbReLaO4,trimetallic_oxide,3,"La, Nb, O, Re",-2.82,0.129,0.94,0.216,0.43,good,2,0.5714285714285714,0.4285714285714286,4,29.285714285714285,2.6228571428571428,108.85714285714286,11.285714285714285,3.571428571428571,1.4285714285714284,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,156.66666666666663,3.333333333333333,10,5,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.1428571428571428,False,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,42.1,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbReLa2O4,NbReLa2O4,trimetallic_oxide,3,"La, Nb, O, Re",-2.59,0.261,1.03,0.438,0.393,good,2,0.5,0.5,4,32.75,2.4325,118.625,10.25,3.875,1.375,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,164.25,2.75,10,5,0.0,0.125,0.375,0.0,0,0,0.25,False,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,47.7,14.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2ReLaO4,Nb2ReLaO4,trimetallic_oxide,3,"La, Nb, O, Re",-2.65,0.009,1.45,0.379,0.154,good,2,0.5,0.5,4,30.75,2.495,113.5,10.5,3.75,1.75,3.44,1.1,2.34,187,73,114,75,8,1.9,1.1,0.7999999999999998,154.0,3.5,10,5,0.0,0.25,0.25,0.0,0,0,0.125,False,True,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,29.0,26.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbIrPtO4,NbIrPtO4,trimetallic_oxide,3,"Ir, Nb, O, Pt",-3.55,0.15,1.22,0.138,0.329,excellent,3,0.5714285714285714,0.4285714285714286,4,32.57142857142857,2.834285714285714,101.85714285714286,12.571428571428571,3.571428571428571,2.8571428571428568,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,140.33333333333331,6.666666666666666,20,9,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,48.1,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbIrPt2O4,NbIrPt2O4,trimetallic_oxide,3,"Ir, Nb, O, Pt",-3.38,0.242,0.63,0.332,0.255,good,2,0.5,0.5,4,38.25,2.765,106.5,12.25,3.875,3.625,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,140.0,7.25,20,9,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.0,64.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2IrPtO4,Nb2IrPtO4,trimetallic_oxide,3,"Ir, Nb, O, Pt",-3.52,0.129,0.86,0.256,0.274,excellent,3,0.5,0.5,4,33.625,2.68,107.375,11.625,3.75,3.0,3.44,1.6,1.84,146,73,73,78,8,2.28,1.6,0.6799999999999997,141.75,6.0,20,9,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,36.2,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbPtBiO4,NbPtBiO4,trimetallic_oxide,3,"Bi, Nb, O, Pt",-3.05,0.405,0.64,0.354,0.24,good,2,0.5714285714285714,0.4285714285714286,4,33.42857142857142,2.8085714285714283,102.85714285714286,13.428571428571429,3.571428571428571,3.2857142857142856,3.44,1.6,1.84,146,73,73,83,8,2.28,1.6,0.6799999999999997,142.66666666666666,7.666666666666665,23,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,43.7,48.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbPtBi2O4,NbPtBi2O4,trimetallic_oxide,3,"Bi, Nb, O, Pt",-2.52,0.234,1.85,0.216,0.288,good,2,0.5,0.5,4,39.625,2.71,107.875,13.625,3.875,4.125,3.44,1.6,1.84,146,73,73,83,8,2.28,1.6,0.6799999999999997,142.75,8.25,23,10,0.0,0.125,0.375,0.25,0,0,0.0,False,True,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,13.2,39.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2PtBiO4,Nb2PtBiO4,trimetallic_oxide,3,"Bi, Nb, O, Pt",-2.57,0.128,1.31,0.48,0.318,good,2,0.5,0.5,4,34.375,2.6575,108.25,12.375,3.75,3.375,3.44,1.6,1.84,146,73,73,83,8,2.28,1.6,0.6799999999999997,143.5,6.75,23,10,0.0,0.25,0.25,0.125,0,0,0.0,False,True,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,25.4,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbAlLaO4,NbAlLaO4,trimetallic_oxide,3,"Al, La, Nb, O",-2.25,0.103,1.98,0.345,0.339,good,2,0.5714285714285714,0.4285714285714286,4,20.428571428571427,2.5814285714285714,106.14285714285714,12.142857142857142,3.142857142857143,0.7142857142857142,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,150.33333333333331,1.6666666666666663,5,4,0.1428571428571428,0.1428571428571428,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,True,True,True,False,True,True,False,False,True,Triclinic,0,0,0,0,0,0,1,47.3,25.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_NbAlLa2O4,NbAlLa2O4,trimetallic_oxide,3,"Al, La, Nb, O",-2.95,0.109,1.76,0.359,0.4,excellent,3,0.5,0.5,4,25.0,2.39625,116.25,11.0,3.5,0.75,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,159.5,1.5,5,4,0.125,0.125,0.25,0.125,0,0,0.25,True,True,True,False,True,True,False,False,True,Rhombohedral,0,0,0,0,0,1,0,57.3,39.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Nb2AlLaO4,Nb2AlLaO4,trimetallic_oxide,3,"Al, La, Nb, O",-1.68,0.063,1.64,0.167,0.234,good,2,0.5,0.5,4,23.0,2.45875,111.125,11.25,3.375,1.125,3.44,1.1,2.34,187,73,114,57,8,1.61,1.1,0.51,149.25,2.25,5,4,0.125,0.25,0.125,0.125,0,0,0.125,True,True,True,False,True,True,False,False,True,Triclinic,0,0,0,0,0,0,1,39.3,20.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoRuAgO4,MoRuAgO4,trimetallic_oxide,3,"Ag, Mo, O, Ru",-2.7,0.077,0.43,0.29,0.204,good,2,0.5714285714285714,0.4285714285714286,4,23.57142857142857,2.864285714285714,101.28571428571428,12.714285714285714,3.2857142857142856,3.1428571428571423,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,139.0,7.333333333333332,22,10,0.0,0.4285714285714285,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,49.2,11.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoRuAg2O4,MoRuAg2O4,trimetallic_oxide,3,"Ag, Mo, O, Ru",-3.15,0.054,0.89,0.311,0.285,good,2,0.5,0.5,4,26.5,2.7475,106.625,12.5,3.5,4.0,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,140.25,8.0,22,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,20.6,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2RuAgO4,Mo2RuAgO4,trimetallic_oxide,3,"Ag, Mo, O, Ru",-2.36,0.033,0.87,0.221,0.175,good,2,0.5,0.5,4,25.875,2.77625,106.0,11.875,3.5,3.375,3.44,1.93,1.51,144,73,71,47,8,2.2,1.93,0.2700000000000002,139.0,6.75,22,10,0.0,0.5,0.0,0.0,0,0,0.0,False,True,False,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,31.5,34.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoRuSnO4,MoRuSnO4,trimetallic_oxide,3,"Mo, O, Ru, Sn",-3.31,0.263,1.06,0.26,0.208,excellent,3,0.5714285714285714,0.4285714285714286,4,24.0,2.8685714285714283,101.42857142857144,13.142857142857142,3.2857142857142856,3.1428571428571423,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,139.33333333333331,7.333333333333332,22,10,0.0,0.4285714285714285,0.0,0.1428571428571428,0,0,0.0,False,True,False,False,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.7,28.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoRuSn2O4,MoRuSn2O4,trimetallic_oxide,3,"Mo, O, Ru, Sn",-3.68,0.113,0.48,0.432,0.29,excellent,3,0.5,0.5,4,27.25,2.755,106.875,13.25,3.5,4.0,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,140.75,8.0,22,10,0.0,0.5,0.0,0.25,0,0,0.0,False,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,46.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2RuSnO4,Mo2RuSnO4,trimetallic_oxide,3,"Mo, O, Ru, Sn",-3.26,0.108,1.11,0.405,0.278,excellent,3,0.5,0.5,4,26.25,2.78,106.125,12.25,3.5,3.375,3.44,1.96,1.48,145,73,72,50,8,2.2,1.96,0.2400000000000002,139.25,6.75,22,10,0.0,0.5,0.0,0.125,0,0,0.0,False,True,False,False,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,67.6,14.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoRhOsO4,MoRhOsO4,trimetallic_oxide,3,"Mo, O, Os, Rh",-2.89,0.037,0.77,0.302,0.264,good,2,0.5714285714285714,0.4285714285714286,4,27.85714285714285,2.914285714285714,100.0,12.428571428571429,3.4285714285714284,2.714285714285714,3.44,2.16,1.2799999999999998,139,73,66,76,8,2.28,2.16,0.1199999999999996,136.0,6.333333333333332,19,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.8,32.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoRhOs2O4,MoRhOs2O4,trimetallic_oxide,3,"Mo, O, Os, Rh",-2.92,0.3,0.54,0.336,0.335,good,2,0.5,0.5,4,33.875,2.825,104.375,11.875,3.75,3.125,3.44,2.16,1.2799999999999998,139,73,66,76,8,2.28,2.16,0.1199999999999996,135.75,6.25,19,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,39.3,14.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2RhOsO4,Mo2RhOsO4,trimetallic_oxide,3,"Mo, O, Os, Rh",-3.29,0.026,1.11,0.314,0.331,excellent,3,0.5,0.5,4,29.625,2.82,104.875,11.625,3.625,3.0,3.44,2.16,1.2799999999999998,139,73,66,76,8,2.28,2.16,0.1199999999999996,136.75,6.0,19,8,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,45.8,46.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoPdHfO4,MoPdHfO4,trimetallic_oxide,3,"Hf, Mo, O, Pd",-3.59,0.054,1.11,0.297,0.325,excellent,3,0.5714285714285714,0.4285714285714286,4,27.428571428571427,2.774285714285714,103.85714285714286,12.0,3.4285714285714284,2.4285714285714284,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,144.99999999999997,5.666666666666665,17,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,47.0,19.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoPdHf2O4,MoPdHf2O4,trimetallic_oxide,3,"Hf, Mo, O, Pd",-2.54,0.021,1.52,0.147,0.251,good,2,0.5,0.5,4,33.0,2.59,110.75,11.0,3.75,2.375,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,148.5,4.75,17,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,7.6,23.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2PdHfO4,Mo2PdHfO4,trimetallic_oxide,3,"Hf, Mo, O, Pd",-3.1,0.027,1.52,0.374,0.305,excellent,3,0.5,0.5,4,29.25,2.6975,108.25,11.25,3.625,2.75,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,143.5,5.5,17,10,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,29.2,35.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoPdBiO4,MoPdBiO4,trimetallic_oxide,3,"Bi, Mo, O, Pd",-2.83,0.664,0.9,0.273,0.32,good,2,0.5714285714285714,0.4285714285714286,4,29.0,2.877142857142857,101.57142857142856,13.571428571428571,3.4285714285714284,3.571428571428571,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.66666666666663,8.333333333333332,25,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,53.1,5.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoPdBi2O4,MoPdBi2O4,trimetallic_oxide,3,"Bi, Mo, O, Pd",-3.17,0.214,0.41,0.344,0.266,good,2,0.5,0.5,4,35.75,2.77,106.75,13.75,3.75,4.375,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,140.5,8.75,25,10,0.0,0.25,0.25,0.25,0,0,0.0,False,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,47.7,27.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2PdBiO4,Mo2PdBiO4,trimetallic_oxide,3,"Bi, Mo, O, Pd",-2.63,0.014,0.58,0.378,0.232,good,2,0.5,0.5,4,30.625,2.7875,106.25,12.625,3.625,3.75,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.5,7.5,25,10,0.0,0.375,0.125,0.125,0,0,0.0,False,True,True,True,False,True,False,False,False,Triclinic,0,0,0,0,0,0,1,49.1,25.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoAgAuO4,MoAgAuO4,trimetallic_oxide,3,"Ag, Au, Mo, O",-2.71,0.085,0.64,0.293,0.225,good,2,0.5714285714285714,0.4285714285714286,4,28.57142857142857,2.912857142857143,102.71428571428572,13.142857142857142,3.4285714285714284,3.571428571428571,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,142.33333333333331,8.333333333333332,25,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.3,29.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoAgAu2O4,MoAgAu2O4,trimetallic_oxide,3,"Ag, Au, Mo, O",-3.57,0.022,0.83,0.333,0.353,excellent,3,0.5,0.5,4,34.875,2.86625,107.875,12.875,3.75,4.375,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,142.75,8.75,25,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,26.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2AgAuO4,Mo2AgAuO4,trimetallic_oxide,3,"Ag, Au, Mo, O",-3.93,0.168,0.67,0.172,0.306,excellent,3,0.5,0.5,4,30.25,2.81875,107.25,12.25,3.625,3.75,3.44,1.93,1.51,144,73,71,79,8,2.54,1.93,0.6100000000000001,141.5,7.5,25,10,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,34.3,67.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoHfIrO4,MoHfIrO4,trimetallic_oxide,3,"Hf, Ir, Mo, O",-2.95,0.188,1.08,0.313,0.292,good,2,0.5714285714285714,0.4285714285714286,4,31.85714285714285,2.774285714285714,103.71428571428572,11.857142857142856,3.571428571428571,2.0,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,144.66666666666666,4.666666666666666,14,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,40.7,45.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoHfIr2O4,MoHfIr2O4,trimetallic_oxide,3,"Hf, Ir, Mo, O",-3.53,0.077,0.84,0.426,0.326,excellent,3,0.5,0.5,4,37.5,2.7025,107.75,11.5,3.875,2.625,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,142.5,5.25,14,7,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,49.2,46.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2HfIrO4,Mo2HfIrO4,trimetallic_oxide,3,"Hf, Ir, Mo, O",-3.36,0.481,0.71,0.264,0.365,good,2,0.5,0.5,4,33.125,2.6975,108.125,11.125,3.75,2.375,3.44,1.3,2.14,159,73,86,77,8,2.2,1.3,0.9000000000000001,143.25,4.75,14,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,26.5,19.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoTaOsO4,MoTaOsO4,trimetallic_oxide,3,"Mo, O, Os, Ta",-2.82,0.003,0.79,0.415,0.294,good,2,0.5714285714285714,0.4285714285714286,4,31.85714285714285,2.8028571428571425,101.71428571428572,11.857142857142856,3.571428571428571,2.0,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,140.0,4.666666666666666,14,6,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,26.5,27.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoTaOs2O4,MoTaOs2O4,trimetallic_oxide,3,"Mo, O, Os, Ta",-2.98,0.35,0.96,0.375,0.268,good,2,0.5,0.5,4,37.375,2.7275,105.875,11.375,3.875,2.5,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,138.75,5.0,14,6,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,14.1,38.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2TaOsO4,Mo2TaOsO4,trimetallic_oxide,3,"Mo, O, Os, Ta",-2.79,0.09,1.18,0.273,0.261,good,2,0.5,0.5,4,33.125,2.7225,106.375,11.125,3.75,2.375,3.44,1.5,1.94,146,73,73,76,8,2.2,1.5,0.7000000000000002,139.75,4.75,14,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.4,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoWOsO4,MoWOsO4,trimetallic_oxide,3,"Mo, O, Os, W",-3.8,0.068,0.85,0.281,0.268,excellent,3,0.5714285714285714,0.4285714285714286,4,32.0,2.9257142857142853,100.71428571428572,12.0,3.571428571428571,2.142857142857143,3.44,2.16,1.2799999999999998,139,73,66,76,8,2.36,2.16,0.1999999999999997,137.66666666666666,4.999999999999999,15,6,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,30.3,41.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoWOs2O4,MoWOs2O4,trimetallic_oxide,3,"Mo, O, Os, W",-3.26,0.005,0.41,0.379,0.338,good,2,0.5,0.5,4,37.5,2.835,105.0,11.5,3.875,2.625,3.44,2.16,1.2799999999999998,139,73,66,76,8,2.36,2.16,0.1999999999999997,137.0,5.25,15,6,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,35.4,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2WOsO4,Mo2WOsO4,trimetallic_oxide,3,"Mo, O, Os, W",-3.0,0.008,1.04,0.235,0.334,good,2,0.5,0.5,4,33.25,2.83,105.5,11.25,3.75,2.5,3.44,2.16,1.2799999999999998,139,73,66,76,8,2.36,2.16,0.1999999999999997,138.0,5.0,15,6,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Triclinic,0,0,0,0,0,0,1,26.7,22.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoReIrO4,MoReIrO4,trimetallic_oxide,3,"Ir, Mo, O, Re",-2.78,0.088,1.21,0.114,0.228,good,2,0.5714285714285714,0.4285714285714286,4,32.285714285714285,2.86,100.57142857142856,12.285714285714285,3.571428571428571,2.4285714285714284,3.44,1.9,1.54,139,73,66,77,8,2.2,1.9,0.3000000000000002,137.33333333333331,5.666666666666666,17,7,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,28.6,31.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoReIr2O4,MoReIr2O4,trimetallic_oxide,3,"Ir, Mo, O, Re",-3.67,0.192,0.95,0.321,0.205,excellent,3,0.5,0.5,4,37.875,2.7775,105.0,11.875,3.875,3.0,3.44,1.9,1.54,139,73,66,77,8,2.2,1.9,0.3000000000000002,137.0,6.0,17,7,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,45.6,17.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2ReIrO4,Mo2ReIrO4,trimetallic_oxide,3,"Ir, Mo, O, Re",-2.93,0.051,1.48,0.358,0.15,good,2,0.5,0.5,4,33.5,2.7725,105.375,11.5,3.75,2.75,3.44,1.9,1.54,139,73,66,77,8,2.2,1.9,0.3000000000000002,137.75,5.5,17,7,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,5.0,43.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoOsAuO4,MoOsAuO4,trimetallic_oxide,3,"Au, Mo, O, Os",-3.27,0.097,1.01,0.35,0.334,excellent,3,0.5714285714285714,0.4285714285714286,4,32.71428571428571,2.951428571428571,101.42857142857144,12.714285714285714,3.571428571428571,3.0,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,139.33333333333331,6.999999999999998,21,10,0.0,0.1428571428571428,0.2857142857142857,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Cubic,1,0,0,0,0,0,0,57.1,27.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoOsAu2O4,MoOsAu2O4,trimetallic_oxide,3,"Au, Mo, O, Os",-3.77,0.043,0.86,0.328,0.214,excellent,3,0.5,0.5,4,38.5,2.9,106.75,12.5,3.875,3.875,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,140.5,7.75,21,10,0.0,0.125,0.375,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,43.2,49.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2OsAuO4,Mo2OsAuO4,trimetallic_oxide,3,"Au, Mo, O, Os",-3.35,0.169,0.45,0.433,0.438,good,2,0.5,0.5,4,33.875,2.8525,106.125,11.875,3.75,3.25,3.44,2.16,1.2799999999999998,144,73,71,79,8,2.54,2.16,0.3799999999999999,139.25,6.5,21,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,71.1,42.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoIrBiO4,MoIrBiO4,trimetallic_oxide,3,"Bi, Ir, Mo, O",-3.15,0.125,0.72,0.354,0.271,good,2,0.5714285714285714,0.4285714285714286,4,33.42857142857143,2.877142857142857,101.42857142857144,13.428571428571429,3.571428571428571,3.1428571428571423,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.33333333333331,7.333333333333332,22,10,0.0,0.1428571428571428,0.2857142857142857,0.1428571428571428,0,0,0.0,False,True,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,58.7,39.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoIrBi2O4,MoIrBi2O4,trimetallic_oxide,3,"Bi, Ir, Mo, O",-3.04,0.06,0.35,0.381,0.272,good,2,0.5,0.5,4,39.625,2.77,106.625,13.625,3.875,4.0,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,140.25,8.0,22,10,0.0,0.125,0.375,0.25,0,0,0.0,False,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,51.5,16.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2IrBiO4,Mo2IrBiO4,trimetallic_oxide,3,"Bi, Ir, Mo, O",-3.95,0.148,0.7,0.334,0.232,excellent,3,0.5,0.5,4,34.5,2.7875,106.125,12.5,3.75,3.375,3.44,2.02,1.42,143,73,70,83,8,2.2,2.02,0.1800000000000001,139.25,6.75,22,10,0.0,0.25,0.25,0.125,0,0,0.0,False,True,True,True,False,True,False,False,False,Cubic,1,0,0,0,0,0,0,39.7,35.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoAuSnO4,MoAuSnO4,trimetallic_oxide,3,"Au, Mo, O, Sn",-3.53,0.1,1.03,0.376,0.15,excellent,3,0.5714285714285714,0.4285714285714286,4,29.0,2.917142857142857,102.85714285714286,13.571428571428571,3.4285714285714284,3.571428571428571,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,142.66666666666663,8.333333333333332,25,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.0,False,True,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,53.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoAuSn2O4,MoAuSn2O4,trimetallic_oxide,3,"Au, Mo, O, Sn",-3.45,0.17,1.04,0.201,0.325,excellent,3,0.5,0.5,4,31.625,2.7975,108.125,13.625,3.625,4.375,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,143.25,8.75,25,10,0.0,0.375,0.125,0.25,0,0,0.0,False,True,True,True,False,True,False,False,False,Hexagonal,0,0,1,0,0,0,0,45.0,5.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2AuSnO4,Mo2AuSnO4,trimetallic_oxide,3,"Au, Mo, O, Sn",-2.12,0.152,0.7,0.163,0.23,good,2,0.5,0.5,4,30.625,2.8225,107.375,12.625,3.625,3.75,3.44,1.96,1.48,145,73,72,79,8,2.54,1.96,0.5800000000000001,141.75,7.5,25,10,0.0,0.375,0.125,0.125,0,0,0.0,False,True,True,True,False,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,33.9,31.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoSnCeO4,MoSnCeO4,trimetallic_oxide,3,"Ce, Mo, O, Sn",-3.03,0.001,1.1,0.314,0.42,good,2,0.5714285714285714,0.4285714285714286,4,26.0,2.714285714285714,108.28571428571428,12.428571428571429,3.4285714285714284,2.2857142857142856,3.44,1.12,2.32,182,73,109,58,8,2.16,1.12,1.04,155.33333333333331,5.333333333333332,16,10,0.0,0.2857142857142857,0.1428571428571428,0.1428571428571428,0,0,0.1428571428571428,False,True,True,False,False,True,False,False,True,Orthorhombic,0,0,0,1,0,0,0,65.1,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_MoSnCe2O4,MoSnCe2O4,trimetallic_oxide,3,"Ce, Mo, O, Sn",-2.34,0.097,1.17,0.137,0.291,good,2,0.5,0.5,4,30.0,2.515,117.5,11.25,3.75,2.125,3.44,1.12,2.32,182,73,109,58,8,2.16,1.12,1.04,162.0,4.25,16,10,0.0,0.25,0.25,0.125,0,0,0.25,False,True,True,False,False,True,False,False,True,Cubic,1,0,0,0,0,0,0,34.8,27.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Mo2SnCeO4,Mo2SnCeO4,trimetallic_oxide,3,"Ce, Mo, O, Sn",-3.0,0.08,0.63,0.315,0.288,good,2,0.5,0.5,4,28.0,2.645,112.125,11.625,3.625,2.625,3.44,1.12,2.32,182,73,109,58,8,2.16,1.12,1.04,151.25,5.25,16,10,0.0,0.375,0.125,0.125,0,0,0.125,False,True,True,False,False,True,False,False,True,Hexagonal,0,0,1,0,0,0,0,18.6,27.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_RuRhOsO4,RuRhOsO4,trimetallic_oxide,3,"O, Os, Rh, Ru",-2.81,0.028,1.07,0.261,0.281,good,2,0.5714285714285714,0.4285714285714286,4,28.14285714285714,2.92,99.28571428571428,12.714285714285714,3.4285714285714284,3.0,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.33333333333331,6.999999999999999,21,8,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.2,47.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_RuRhOs2O4,RuRhOs2O4,trimetallic_oxide,3,"O, Os, Rh, Ru",-3.07,0.228,1.08,0.395,0.175,good,2,0.5,0.5,4,34.125,2.83,103.75,12.125,3.75,3.375,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.5,6.75,21,8,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,52.5,49.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ru2RhOsO4,Ru2RhOsO4,trimetallic_oxide,3,"O, Os, Rh, Ru",-2.61,0.075,1.14,0.299,0.194,good,2,0.5,0.5,4,30.125,2.83,103.625,12.125,3.625,3.5,3.44,2.2,1.2399999999999998,135,73,62,76,8,2.28,2.2,0.0799999999999996,134.25,7.0,21,8,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,False,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,36.1,11.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_RuPdHfO4,RuPdHfO4,trimetallic_oxide,3,"Hf, O, Pd, Ru",-2.02,0.026,1.08,0.327,0.326,good,2,0.5714285714285714,0.4285714285714286,4,27.71428571428571,2.78,103.14285714285714,12.285714285714285,3.4285714285714284,2.714285714285714,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,143.33333333333331,6.333333333333332,19,10,0.0,0.2857142857142857,0.1428571428571428,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,26.4,51.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_RuPdHf2O4,RuPdHf2O4,trimetallic_oxide,3,"Hf, O, Pd, Ru",-3.15,0.127,1.18,0.3,0.311,good,2,0.5,0.5,4,33.25,2.595,110.125,11.25,3.75,2.625,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,147.25,5.25,19,10,0.0,0.25,0.25,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,63.2,59.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_Ru2PdHfO4,Ru2PdHfO4,trimetallic_oxide,3,"Hf, O, Pd, Ru",-3.27,0.171,1.19,0.344,0.15,excellent,3,0.5,0.5,4,29.75,2.7075,107.0,11.75,3.625,3.25,3.44,1.3,2.14,159,73,86,72,8,2.2,1.3,0.9000000000000001,141.0,6.5,19,10,0.0,0.375,0.125,0.0,0,0,0.0,False,True,True,True,False,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.8,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Chanussot et al., ACS Catal. 2022 (OC22), arXiv:2206.08917","Suntivich et al., Science 2011 (OER volcano)",DFT (PBE); ternary oxide phase diagram from MP
oxide_TiVCrMnO4,TiVCrMnO4,multimetallic_oxide,4,"Cr, Mn, O, Ti, V",-2.38,0.009,1.63,0.405,0.412,good,2,0.5,0.5,5,15.75,2.5175,103.5,10.75,3.0,1.875,3.44,1.54,1.9,147,73,74,25,8,1.66,1.54,0.1199999999999998,134.0,3.75,15,5,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,43.7,21.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVMnCeO4,TiVMnCeO4,multimetallic_oxide,4,"Ce, Mn, O, Ti, V",-2.66,0.223,2.03,0.45,0.303,good,2,0.5,0.5,5,20.0,2.45,110.25,10.375,3.25,1.375,3.44,1.12,2.32,182,73,109,58,8,1.63,1.12,0.5099999999999998,147.5,2.75,11,5,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,5.0,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVNiZrO4,TiVNiZrO4,multimetallic_oxide,4,"Ni, O, Ti, V, Zr",-2.13,0.103,2.01,0.367,0.393,good,2,0.5,0.5,5,18.125,2.52125,107.125,10.875,3.125,1.875,3.44,1.33,2.11,160,73,87,40,8,1.91,1.33,0.5799999999999998,141.25,3.75,15,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,33.4,30.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVZnWO4,TiVZnWO4,multimetallic_oxide,4,"O, Ti, V, W, Zn",-2.33,0.093,1.51,0.375,0.466,good,2,0.5,0.5,5,22.625,2.6175,105.75,11.375,3.25,2.375,3.44,1.54,1.9,147,73,74,74,8,2.36,1.54,0.8199999999999998,138.5,4.75,19,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,28.6,35.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVMoPdO4,TiVMoPdO4,multimetallic_oxide,4,"Mo, O, Pd, Ti, V",-2.56,0.087,0.41,0.198,0.261,good,2,0.5,0.5,5,20.625,2.66125,106.125,11.125,3.25,2.5,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,139.25,5.0,20,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,37.1,29.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVPdReO4,TiVPdReO4,multimetallic_oxide,4,"O, Pd, Re, Ti, V",-2.56,0.036,0.86,0.388,0.289,good,2,0.5,0.5,5,24.75,2.62875,105.875,11.25,3.375,2.5,3.44,1.54,1.9,147,73,74,75,8,2.2,1.54,0.6600000000000001,138.75,5.0,20,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,15.8,41.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVWAuO4,TiVWAuO4,multimetallic_oxide,4,"Au, O, Ti, V, W",-2.29,0.011,0.71,0.345,0.309,good,2,0.5,0.5,5,28.75,2.72875,107.0,11.25,3.5,2.375,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,141.0,4.75,19,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,49.1,20.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiVLaCeO4,TiVLaCeO4,multimetallic_oxide,4,"Ce, La, O, Ti, V",-3.1,0.013,1.5,0.22,0.276,excellent,3,0.5,0.5,5,24.0,2.39375,117.75,9.875,3.5,0.875,3.44,1.1,2.34,187,73,114,58,8,1.63,1.1,0.5299999999999998,162.5,1.75,7,3,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,21.6,17.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCrCoNiO4,TiCrCoNiO4,multimetallic_oxide,4,"Co, Cr, Ni, O, Ti",-2.46,0.045,1.15,0.35,0.383,good,2,0.5,0.5,5,16.625,2.59375,102.0,11.625,3.0,2.75,3.44,1.54,1.9,147,73,74,28,8,1.91,1.54,0.3699999999999999,131.0,5.5,22,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,48.4,22.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCrCuRhO4,TiCrCuRhO4,multimetallic_oxide,4,"Cr, Cu, O, Rh, Ti",-3.03,0.089,0.93,0.176,0.193,good,2,0.5,0.5,5,19.0,2.6425,103.625,11.75,3.125,3.125,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,134.25,6.25,25,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,48.7,50.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCrZrAlO4,TiCrZrAlO4,multimetallic_oxide,4,"Al, Cr, O, Ti, Zr",-2.84,0.073,2.55,0.509,0.369,excellent,3,0.5,0.5,5,16.375,2.4875,105.625,11.375,3.0,1.125,3.44,1.33,2.11,160,73,87,40,8,1.66,1.33,0.3299999999999998,138.25,2.25,9,5,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,35.9,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCrRuAuO4,TiCrRuAuO4,multimetallic_oxide,4,"Au, Cr, O, Ru, Ti",-3.23,0.032,0.58,0.326,0.298,good,2,0.5,0.5,5,25.125,2.7125,105.625,11.625,3.375,3.0,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,138.25,6.0,24,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,21.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCrHfReO4,TiCrHfReO4,multimetallic_oxide,4,"Cr, Hf, O, Re, Ti",-2.9,0.241,0.37,0.217,0.317,good,2,0.5,0.5,5,28.125,2.52,107.875,10.625,3.5,1.75,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,142.75,3.5,14,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,44.9,35.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCrIrAlO4,TiCrIrAlO4,multimetallic_oxide,4,"Al, Cr, Ir, O, Ti",-2.34,0.007,1.75,0.377,0.287,good,2,0.5,0.5,5,21.0,2.59625,102.625,12.0,3.125,1.75,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,132.25,3.5,14,7,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,60.9,41.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMnCoNiO4,TiMnCoNiO4,multimetallic_oxide,4,"Co, Mn, Ni, O, Ti",-2.11,0.086,1.37,0.366,0.423,good,2,0.5,0.5,5,16.75,2.58,101.875,11.75,3.0,2.75,3.44,1.54,1.9,147,73,74,28,8,1.91,1.54,0.3699999999999999,130.75,5.5,22,8,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,21.5,49.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMnCuRhO4,TiMnCuRhO4,multimetallic_oxide,4,"Cu, Mn, O, Rh, Ti",-2.35,0.419,0.57,0.174,0.24,good,2,0.5,0.5,5,19.125,2.62875,103.5,11.875,3.125,3.125,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,134.0,6.25,25,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,55.5,11.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMnZrAlO4,TiMnZrAlO4,multimetallic_oxide,4,"Al, Mn, O, Ti, Zr",-2.44,0.148,2.13,0.421,0.469,good,2,0.5,0.5,5,16.5,2.47375,105.5,11.5,3.0,1.125,3.44,1.33,2.11,160,73,87,40,8,1.61,1.33,0.28,138.0,2.25,9,5,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,25.6,42.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMnRuAuO4,TiMnRuAuO4,multimetallic_oxide,4,"Au, Mn, O, Ru, Ti",-2.46,0.115,0.86,0.158,0.178,good,2,0.5,0.5,5,25.25,2.69875,105.5,11.75,3.375,3.0,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,138.0,6.0,24,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.2,31.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMnHfReO4,TiMnHfReO4,multimetallic_oxide,4,"Hf, Mn, O, Re, Ti",-2.77,0.036,1.44,0.291,0.298,good,2,0.5,0.5,5,28.25,2.50625,107.75,10.75,3.5,1.75,3.44,1.3,2.14,159,73,86,75,8,1.9,1.3,0.5999999999999999,142.5,3.5,14,5,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,5.0,33.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMnIrAlO4,TiMnIrAlO4,multimetallic_oxide,4,"Al, Ir, Mn, O, Ti",-2.98,0.097,1.41,0.225,0.376,good,2,0.5,0.5,5,21.125,2.5825,102.5,12.125,3.125,1.75,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,132.0,3.5,14,7,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,37.9,64.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiFeNiZnO4,TiFeNiZnO4,multimetallic_oxide,4,"Fe, Ni, O, Ti, Zn",-3.51,0.026,1.01,0.283,0.194,excellent,3,0.5,0.5,5,17.25,2.58625,102.875,12.25,3.0,3.25,3.44,1.54,1.9,147,73,74,30,8,1.91,1.54,0.3699999999999999,132.75,6.5,26,10,0.5,0.0,0.0,0.0,0,0,0.0,True,False,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.2,52.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiFeZnTaO4,TiFeZnTaO4,multimetallic_oxide,4,"Fe, O, Ta, Ti, Zn",-2.42,0.017,1.0,0.283,0.291,good,2,0.5,0.5,5,22.875,2.535,105.625,11.625,3.25,2.625,3.44,1.5,1.94,147,73,74,73,8,1.83,1.5,0.33,138.25,5.25,21,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,68.2,42.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiFeMoRhO4,TiFeMoRhO4,multimetallic_oxide,4,"Fe, Mo, O, Rh, Ti",-2.69,0.048,1.06,0.321,0.329,good,2,0.5,0.5,5,20.875,2.69625,104.75,11.375,3.25,2.625,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,136.5,5.25,21,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,38.9,43.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiFePdWO4,TiFePdWO4,multimetallic_oxide,4,"Fe, O, Pd, Ti, W",-2.76,0.309,1.15,0.208,0.15,good,2,0.5,0.5,5,25.0,2.71125,105.125,11.5,3.375,2.75,3.44,1.54,1.9,147,73,74,74,8,2.36,1.54,0.8199999999999998,137.25,5.5,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,9.2,28.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiFeWPtO4,TiFeWPtO4,multimetallic_oxide,4,"Fe, O, Pt, Ti, W",-3.01,0.125,0.44,0.242,0.297,good,2,0.5,0.5,5,29.0,2.72125,105.375,11.5,3.5,2.625,3.44,1.54,1.9,147,73,74,78,8,2.36,1.54,0.8199999999999998,137.75,5.25,21,9,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,61.0,48.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiFeBiCeO4,TiFeBiCeO4,multimetallic_oxide,4,"Bi, Ce, Fe, O, Ti",-2.06,0.033,1.19,0.478,0.299,good,2,0.5,0.5,5,27.625,2.53375,111.25,11.75,3.5,2.375,3.44,1.12,2.32,182,73,109,83,8,2.02,1.12,0.8999999999999999,149.5,4.75,19,10,0.25,0.0,0.25,0.125,0,0,0.125,True,False,True,False,True,True,False,False,True,Triclinic,0,0,0,0,0,0,1,37.2,41.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCoZnPdO4,TiCoZnPdO4,multimetallic_oxide,4,"Co, O, Pd, Ti, Zn",-2.39,0.018,0.72,0.313,0.287,good,2,0.5,0.5,5,19.625,2.62875,104.375,12.375,3.125,3.625,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,135.75,7.25,29,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,38.5,13.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCoNbLaO4,TiCoNbLaO4,multimetallic_oxide,4,"Co, La, Nb, O, Ti",-2.76,0.085,1.19,0.331,0.171,good,2,0.5,0.5,5,22.375,2.485,112.125,10.625,3.375,1.75,3.44,1.1,2.34,187,73,114,57,8,1.88,1.1,0.7799999999999998,151.25,3.5,14,7,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,56.3,32.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCoPdAgO4,TiCoPdAgO4,multimetallic_oxide,4,"Ag, Co, O, Pd, Ti",-1.95,0.872,1.25,0.221,0.353,good,2,0.5,0.5,5,21.75,2.66375,105.625,12.25,3.25,3.625,3.44,1.54,1.9,147,73,74,47,8,2.2,1.54,0.6600000000000001,138.25,7.25,29,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,43.5,14.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCoWReO4,TiCoWReO4,multimetallic_oxide,4,"Co, O, Re, Ti, W",-3.15,0.156,0.79,0.194,0.393,good,2,0.5,0.5,5,28.75,2.68,105.0,11.25,3.5,2.25,3.44,1.54,1.9,147,73,74,75,8,2.36,1.54,0.8199999999999998,137.0,4.5,18,7,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.6,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCoSnLaO4,TiCoSnLaO4,multimetallic_oxide,4,"Co, La, O, Sn, Ti",-2.44,0.049,1.14,0.395,0.241,good,2,0.5,0.5,5,23.5,2.53,112.0,11.75,3.375,2.5,3.44,1.1,2.34,187,73,114,57,8,1.96,1.1,0.8599999999999999,151.0,5.0,20,10,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,True,True,True,False,False,True,Tetragonal,0,1,0,0,0,0,0,29.0,12.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNiZrPdO4,TiNiZrPdO4,multimetallic_oxide,4,"Ni, O, Pd, Ti, Zr",-2.93,0.198,0.72,0.262,0.291,good,2,0.5,0.5,5,21.0,2.5925,107.5,11.5,3.25,2.75,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,142.0,5.5,22,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,77.4,5.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNiRuRhO4,TiNiRuRhO4,multimetallic_oxide,4,"Ni, O, Rh, Ru, Ti",-2.87,0.059,1.29,0.221,0.286,good,2,0.5,0.5,5,21.375,2.71125,103.875,11.875,3.25,3.125,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,134.75,6.25,25,8,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.4,26.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNiAgIrO4,TiNiAgIrO4,multimetallic_oxide,4,"Ag, Ir, Ni, O, Ti",-2.47,0.118,1.03,0.085,0.381,good,2,0.5,0.5,5,25.75,2.6675,105.375,12.25,3.375,3.375,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,137.75,6.75,27,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,34.8,39.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNiOsIrO4,TiNiOsIrO4,multimetallic_oxide,4,"Ir, Ni, O, Os, Ti",-3.1,0.404,1.13,0.417,0.27,good,2,0.5,0.5,5,29.375,2.70125,104.25,11.875,3.5,2.875,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,135.5,5.75,23,8,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,47.9,11.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCuZnAuO4,TiCuZnAuO4,multimetallic_oxide,4,"Au, Cu, O, Ti, Zn",-2.43,0.003,1.01,0.178,0.238,good,2,0.5,0.5,5,24.0,2.67375,105.625,12.75,3.25,4.0,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,138.25,8.0,32,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,31.9,20.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCuMoReO4,TiCuMoReO4,multimetallic_oxide,4,"Cu, Mo, O, Re, Ti",-2.55,0.031,0.52,0.209,0.265,good,2,0.5,0.5,5,25.0,2.6575,105.375,11.5,3.375,2.75,3.44,1.54,1.9,147,73,74,75,8,2.16,1.54,0.6200000000000001,137.75,5.5,22,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,30.2,51.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCuPdAlO4,TiCuPdAlO4,multimetallic_oxide,4,"Al, Cu, O, Pd, Ti",-3.1,0.031,0.99,0.426,0.357,good,2,0.5,0.5,5,17.75,2.62625,102.75,12.75,3.0,2.75,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,132.5,5.5,22,10,0.375,0.125,0.0,0.125,0,0,0.0,True,True,False,True,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,50.6,55.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiCuWCeO4,TiCuWCeO4,multimetallic_oxide,4,"Ce, Cu, O, Ti, W",-2.19,0.347,1.53,0.317,0.384,good,2,0.5,0.5,5,26.875,2.585,111.0,11.0,3.5,2.125,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,149.0,4.25,17,10,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,True,True,False,False,False,True,Monoclinic,0,0,0,0,1,0,0,24.8,37.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZnZrPdO4,TiZnZrPdO4,multimetallic_oxide,4,"O, Pd, Ti, Zn, Zr",-2.63,0.129,1.19,0.052,0.347,good,2,0.5,0.5,5,21.25,2.56,108.75,11.75,3.25,3.0,3.44,1.33,2.11,160,73,87,46,8,2.2,1.33,0.8700000000000001,144.5,6.0,24,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,38.2,21.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZnRuRhO4,TiZnRuRhO4,multimetallic_oxide,4,"O, Rh, Ru, Ti, Zn",-3.21,0.02,1.15,0.196,0.257,excellent,3,0.5,0.5,5,21.625,2.67875,105.125,12.125,3.25,3.375,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,137.25,6.75,27,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,36.2,31.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZnAgIrO4,TiZnAgIrO4,multimetallic_oxide,4,"Ag, Ir, O, Ti, Zn",-3.1,0.022,0.9,0.176,0.237,good,2,0.5,0.5,5,26.0,2.635,106.625,12.5,3.375,3.625,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,140.25,7.25,29,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,41.8,24.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZnOsIrO4,TiZnOsIrO4,multimetallic_oxide,4,"Ir, O, Os, Ti, Zn",-2.84,0.036,0.77,0.256,0.277,good,2,0.5,0.5,5,29.625,2.66875,105.5,12.125,3.5,3.125,3.44,1.54,1.9,147,73,74,77,8,2.2,1.54,0.6600000000000001,138.0,6.25,25,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,53.0,26.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZrNbSnO4,TiZrNbSnO4,multimetallic_oxide,4,"Nb, O, Sn, Ti, Zr",-3.0,0.067,1.67,0.264,0.295,excellent,3,0.5,0.5,5,23.125,2.52375,111.25,11.375,3.375,2.25,3.44,1.33,2.11,160,73,87,50,8,1.96,1.33,0.6299999999999999,149.5,4.5,18,10,0.125,0.375,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,22.0,33.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZrRhLaO4,TiZrRhLaO4,multimetallic_oxide,4,"La, O, Rh, Ti, Zr",-2.64,0.018,1.8,0.318,0.355,good,2,0.5,0.5,5,24.5,2.50125,115.0,10.5,3.5,1.625,3.44,1.1,2.34,187,73,114,57,8,2.28,1.1,1.1799999999999995,157.0,3.25,13,8,0.125,0.25,0.125,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,46.6,20.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZrTaLaO4,TiZrTaLaO4,multimetallic_oxide,4,"La, O, Ta, Ti, Zr",-3.32,0.078,0.88,0.36,0.401,excellent,3,0.5,0.5,5,28.0,2.40375,116.5,10.0,3.625,1.0,3.44,1.1,2.34,187,73,114,73,8,1.54,1.1,0.4399999999999999,160.0,2.0,8,3,0.125,0.125,0.25,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,50.0,54.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiZrAlCeO4,TiZrAlCeO4,multimetallic_oxide,4,"Al, Ce, O, Ti, Zr",-2.38,0.213,1.96,0.317,0.39,good,2,0.5,0.5,5,20.625,2.42,112.375,11.0,3.25,0.625,3.44,1.12,2.32,182,73,109,58,8,1.61,1.12,0.49,151.75,1.25,5,2,0.25,0.125,0.125,0.125,0,0,0.125,True,True,True,False,True,True,False,False,True,Tetragonal,0,1,0,0,0,0,0,44.9,16.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNbRhAlO4,TiNbRhAlO4,multimetallic_oxide,4,"Al, Nb, O, Rh, Ti",-2.32,0.105,1.41,0.467,0.368,good,2,0.5,0.5,5,19.125,2.59875,104.625,11.875,3.125,1.75,3.44,1.54,1.9,147,73,74,45,8,2.28,1.54,0.7399999999999998,136.25,3.5,14,8,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,53.7,24.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNbTaAlO4,TiNbTaAlO4,multimetallic_oxide,4,"Al, Nb, O, Ta, Ti",-2.73,0.052,1.74,0.446,0.395,good,2,0.5,0.5,5,22.625,2.50125,106.125,11.375,3.25,1.125,3.44,1.5,1.94,147,73,74,73,8,1.61,1.5,0.1100000000000001,139.25,2.25,9,4,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Tetragonal,0,1,0,0,0,0,0,56.4,29.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiNbAlSnO4,TiNbAlSnO4,multimetallic_oxide,4,"Al, Nb, O, Sn, Ti",-1.92,0.157,1.39,0.377,0.38,good,2,0.5,0.5,5,19.75,2.55875,106.0,12.5,3.125,2.0,3.44,1.54,1.9,147,73,74,50,8,1.96,1.54,0.4199999999999999,139.0,4.0,16,10,0.25,0.25,0.0,0.25,0,0,0.0,True,True,False,False,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,25.7,16.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMoPdAlO4,TiMoPdAlO4,multimetallic_oxide,4,"Al, Mo, O, Pd, Ti",-3.08,0.158,1.46,0.291,0.314,excellent,3,0.5,0.5,5,19.375,2.65875,104.125,12.125,3.125,2.125,3.44,1.54,1.9,147,73,74,46,8,2.2,1.54,0.6600000000000001,135.25,4.25,17,10,0.25,0.25,0.0,0.125,0,0,0.0,True,True,False,True,True,True,False,False,False,Triclinic,0,0,0,0,0,0,1,24.7,36.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiMoWCeO4,TiMoWCeO4,multimetallic_oxide,4,"Ce, Mo, O, Ti, W",-2.42,0.082,1.28,0.363,0.224,good,2,0.5,0.5,5,28.5,2.6175,112.375,10.375,3.625,1.5,3.44,1.12,2.32,182,73,109,74,8,2.36,1.12,1.2399999999999998,151.75,3.0,12,5,0.125,0.125,0.25,0.0,0,0,0.125,True,True,True,False,True,False,False,False,True,Rhombohedral,0,0,0,0,0,1,0,38.2,51.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiRuRhWO4,TiRuRhWO4,multimetallic_oxide,4,"O, Rh, Ru, Ti, W",-3.04,0.04,1.16,0.257,0.252,good,2,0.5,0.5,5,27.125,2.7675,105.75,11.375,3.5,2.625,3.44,1.54,1.9,147,73,74,74,8,2.36,1.54,0.8199999999999998,138.5,5.25,21,8,0.125,0.25,0.125,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,27.9,51.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiRuTaWO4,TiRuTaWO4,multimetallic_oxide,4,"O, Ru, Ta, Ti, W",-3.08,0.02,1.35,0.263,0.332,excellent,3,0.5,0.5,5,30.625,2.67,107.25,10.875,3.625,2.0,3.44,1.5,1.94,147,73,74,74,8,2.36,1.5,0.8599999999999999,141.5,4.0,16,7,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,57.5,46.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiRuPtCeO4,TiRuPtCeO4,multimetallic_oxide,4,"Ce, O, Pt, Ru, Ti",-2.92,0.129,1.32,0.389,0.396,good,2,0.5,0.5,5,29.25,2.6125,111.75,11.125,3.625,2.375,3.44,1.12,2.32,182,73,109,78,8,2.28,1.12,1.1599999999999997,150.5,4.75,19,9,0.125,0.125,0.25,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Hexagonal,0,0,1,0,0,0,0,28.0,59.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiRhHfAlO4,TiRhHfAlO4,multimetallic_oxide,4,"Al, Hf, O, Rh, Ti",-2.63,0.128,1.82,0.253,0.405,good,2,0.5,0.5,5,23.0,2.56125,106.25,11.75,3.25,1.5,3.44,1.3,2.14,159,73,86,72,8,2.28,1.3,0.9799999999999998,139.5,3.0,12,8,0.25,0.125,0.125,0.125,0,0,0.0,True,True,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,44.5,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiRhPtAuO4,TiRhPtAuO4,multimetallic_oxide,4,"Au, O, Pt, Rh, Ti",-3.23,0.035,1.0,0.338,0.246,good,2,0.5,0.5,5,32.0,2.8,107.0,12.25,3.625,3.625,3.44,1.54,1.9,147,73,74,79,8,2.54,1.54,1.0,141.0,7.25,29,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,32.9,9.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiPdTaPtO4,TiPdTaPtO4,multimetallic_oxide,4,"O, Pd, Pt, Ta, Ti",-3.26,0.074,0.8,0.183,0.335,good,2,0.5,0.5,5,31.375,2.66,107.625,11.625,3.625,3.0,3.44,1.5,1.94,147,73,74,78,8,2.28,1.5,0.7799999999999998,142.25,6.0,24,10,0.125,0.125,0.25,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,5.5,65.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiPdAuLaO4,TiPdAuLaO4,multimetallic_oxide,4,"Au, La, O, Pd, Ti",-3.34,0.109,1.24,0.439,0.265,excellent,3,0.5,0.5,5,29.5,2.6425,113.375,11.5,3.625,2.875,3.44,1.1,2.34,187,73,114,79,8,2.54,1.1,1.44,153.75,5.75,23,10,0.125,0.125,0.25,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,59.7,5.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiAgReSnO4,TiAgReSnO4,multimetallic_oxide,4,"Ag, O, Re, Sn, Ti",-3.25,0.048,1.02,0.402,0.229,excellent,3,0.5,0.5,5,28.25,2.63625,108.125,12.5,3.5,3.375,3.44,1.54,1.9,147,73,74,75,8,1.96,1.54,0.4199999999999999,143.25,6.75,27,10,0.125,0.25,0.125,0.125,0,0,0.0,True,True,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,47.7,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiHfTaCeO4,TiHfTaCeO4,multimetallic_oxide,4,"Ce, Hf, O, Ta, Ti",-3.36,0.048,0.91,0.338,0.449,excellent,3,0.5,0.5,5,32.125,2.4025,115.75,10.0,3.75,1.0,3.44,1.12,2.32,182,73,109,73,8,1.54,1.12,0.4199999999999999,158.5,2.0,8,3,0.125,0.0,0.375,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,52.1,31.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiHfSnBiO4,TiHfSnBiO4,multimetallic_oxide,4,"Bi, Hf, O, Sn, Ti",-3.0,0.027,1.22,0.377,0.237,good,2,0.5,0.5,5,32.375,2.5725,110.75,12.625,3.625,3.0,3.44,1.3,2.14,159,73,86,83,8,2.02,1.3,0.72,148.5,6.0,24,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Monoclinic,0,0,0,0,1,0,0,31.1,42.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiTaAuCeO4,TiTaAuCeO4,multimetallic_oxide,4,"Au, Ce, O, Ta, Ti",-2.4,0.018,1.01,0.326,0.281,good,2,0.5,0.5,5,33.0,2.5575,113.875,10.875,3.75,2.0,3.44,1.12,2.32,182,73,109,79,8,2.54,1.12,1.42,154.75,4.0,16,10,0.125,0.0,0.375,0.0,0,0,0.125,True,False,True,True,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,30.1,25.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiWSnBiO4,TiWSnBiO4,multimetallic_oxide,4,"Bi, O, Sn, Ti, W",-2.98,0.06,0.47,0.244,0.322,good,2,0.5,0.5,5,32.625,2.705,108.25,12.875,3.625,3.25,3.44,1.54,1.9,147,73,74,83,8,2.36,1.54,0.8199999999999998,143.5,6.5,26,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,False,True,True,False,False,False,Rhombohedral,0,0,0,0,0,1,0,30.2,51.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiOsPtAlO4,TiOsPtAlO4,multimetallic_oxide,4,"Al, O, Os, Pt, Ti",-3.07,0.174,0.92,0.402,0.299,good,2,0.5,0.5,5,27.625,2.67375,103.875,12.375,3.375,2.125,3.44,1.54,1.9,147,73,74,78,8,2.28,1.54,0.7399999999999998,134.75,4.25,17,9,0.25,0.0,0.25,0.125,0,0,0.0,True,False,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,36.5,15.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_TiPtSnBiO4,TiPtSnBiO4,multimetallic_oxide,4,"Bi, O, Pt, Sn, Ti",-1.73,0.339,0.89,0.281,0.3,good,2,0.5,0.5,5,33.125,2.695,108.25,13.375,3.625,3.875,3.44,1.54,1.9,147,73,74,83,8,2.28,1.54,0.7399999999999998,143.5,7.75,31,10,0.125,0.125,0.25,0.25,0,0,0.0,True,True,True,True,True,True,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.9,28.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrMnCeO4,VCrMnCeO4,multimetallic_oxide,4,"Ce, Cr, Mn, O, V",-2.63,0.015,1.49,0.289,0.242,good,2,0.5,0.5,5,20.25,2.465,107.875,10.625,3.25,1.75,3.44,1.12,2.32,182,73,109,58,8,1.66,1.12,0.5399999999999998,142.75,3.5,14,5,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,False,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,36.1,45.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrNiZrO4,VCrNiZrO4,multimetallic_oxide,4,"Cr, Ni, O, V, Zr",-3.04,0.014,1.58,0.322,0.297,excellent,3,0.5,0.5,5,18.375,2.53625,104.75,11.125,3.125,2.25,3.44,1.33,2.11,160,73,87,40,8,1.91,1.33,0.5799999999999998,136.5,4.5,18,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,33.9,40.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrZnWO4,VCrZnWO4,multimetallic_oxide,4,"Cr, O, V, W, Zn",-3.3,0.03,1.22,0.356,0.344,excellent,3,0.5,0.5,5,22.875,2.6325,103.375,11.625,3.25,2.75,3.44,1.63,1.81,139,73,66,74,8,2.36,1.63,0.73,133.75,5.5,22,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,51.9,42.9,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrMoPdO4,VCrMoPdO4,multimetallic_oxide,4,"Cr, Mo, O, Pd, V",-3.16,0.129,1.3,0.302,0.221,excellent,3,0.5,0.5,5,20.875,2.67625,103.75,11.375,3.25,2.875,3.44,1.63,1.81,139,73,66,46,8,2.2,1.63,0.5700000000000003,134.5,5.75,23,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,22.6,8.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrPdReO4,VCrPdReO4,multimetallic_oxide,4,"Cr, O, Pd, Re, V",-3.11,0.16,1.14,0.38,0.329,good,2,0.5,0.5,5,25.0,2.64375,103.5,11.5,3.375,2.875,3.44,1.63,1.81,137,73,64,75,8,2.2,1.63,0.5700000000000003,134.0,5.75,23,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,43.2,10.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrWAuO4,VCrWAuO4,multimetallic_oxide,4,"Au, Cr, O, V, W",-2.84,0.484,1.06,0.258,0.296,good,2,0.5,0.5,5,29.0,2.74375,104.625,11.5,3.5,2.75,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,136.25,5.5,22,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,30.6,34.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCrLaCeO4,VCrLaCeO4,multimetallic_oxide,4,"Ce, Cr, La, O, V",-2.87,0.135,1.93,0.37,0.226,excellent,3,0.5,0.5,5,24.25,2.40875,115.375,10.125,3.5,1.25,3.44,1.1,2.34,187,73,114,58,8,1.66,1.1,0.5599999999999998,157.75,2.5,10,5,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Tetragonal,0,1,0,0,0,0,0,34.1,24.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VMnNiZrO4,VMnNiZrO4,multimetallic_oxide,4,"Mn, Ni, O, V, Zr",-1.94,0.197,1.2,0.451,0.27,good,2,0.5,0.5,5,18.5,2.5225,104.625,11.25,3.125,2.25,3.44,1.33,2.11,160,73,87,40,8,1.91,1.33,0.5799999999999998,136.25,4.5,18,8,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,28.8,34.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VMnZnWO4,VMnZnWO4,multimetallic_oxide,4,"Mn, O, V, W, Zn",-3.13,0.323,1.53,0.267,0.312,excellent,3,0.5,0.5,5,23.0,2.61875,103.25,11.75,3.25,2.75,3.44,1.55,1.89,139,73,66,74,8,2.36,1.55,0.8099999999999998,133.5,5.5,22,10,0.375,0.0,0.125,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,33.9,36.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VMnMoPdO4,VMnMoPdO4,multimetallic_oxide,4,"Mn, Mo, O, Pd, V",-3.18,0.037,1.34,0.364,0.29,excellent,3,0.5,0.5,5,21.0,2.6625,103.625,11.5,3.25,2.875,3.44,1.55,1.89,139,73,66,46,8,2.2,1.55,0.6500000000000001,134.25,5.75,23,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,40.9,28.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VMnPdReO4,VMnPdReO4,multimetallic_oxide,4,"Mn, O, Pd, Re, V",-2.75,0.08,1.32,0.427,0.312,good,2,0.5,0.5,5,25.125,2.63,103.375,11.625,3.375,2.875,3.44,1.55,1.89,137,73,64,75,8,2.2,1.55,0.6500000000000001,133.75,5.75,23,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,51.9,44.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VMnWAuO4,VMnWAuO4,multimetallic_oxide,4,"Au, Mn, O, V, W",-2.51,0.106,1.09,0.453,0.449,good,2,0.5,0.5,5,29.125,2.73,104.5,11.625,3.5,2.75,3.44,1.55,1.89,144,73,71,79,8,2.54,1.55,0.99,136.0,5.5,22,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,39.8,20.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VMnLaCeO4,VMnLaCeO4,multimetallic_oxide,4,"Ce, La, Mn, O, V",-3.32,0.167,1.79,0.504,0.422,excellent,3,0.5,0.5,5,24.375,2.395,115.25,10.25,3.5,1.25,3.44,1.1,2.34,187,73,114,58,8,1.63,1.1,0.5299999999999998,157.5,2.5,10,5,0.25,0.0,0.25,0.0,0,0,0.25,True,False,True,False,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,13.0,44.3,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,screening,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VFeCuRuO4,VFeCuRuO4,multimetallic_oxide,4,"Cu, Fe, O, Ru, V",-2.88,0.425,1.14,0.331,0.397,good,2,0.5,0.5,5,19.25,2.665,101.75,12.0,3.125,3.25,3.44,1.63,1.81,134,73,61,44,8,2.2,1.63,0.5700000000000003,130.5,6.5,26,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.3,26.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VFeZrAuO4,VFeZrAuO4,multimetallic_oxide,4,"Au, Fe, O, V, Zr",-3.13,0.234,1.43,0.35,0.388,excellent,3,0.5,0.5,5,25.0,2.63625,107.0,11.5,3.375,2.625,3.44,1.33,2.11,160,73,87,79,8,2.54,1.33,1.21,141.0,5.25,21,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,49.0,33.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VFeRuPtO4,VFeRuPtO4,multimetallic_oxide,4,"Fe, O, Pt, Ru, V",-3.34,0.091,0.72,0.214,0.429,good,2,0.5,0.5,5,25.375,2.7125,103.125,11.875,3.375,3.125,3.44,1.63,1.81,139,73,66,78,8,2.28,1.63,0.6499999999999999,133.25,6.25,25,9,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,36.9,49.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VFeHfWO4,VFeHfWO4,multimetallic_oxide,4,"Fe, Hf, O, V, W",-2.86,0.13,1.51,0.27,0.318,good,2,0.5,0.5,5,28.375,2.61,106.25,10.875,3.5,1.875,3.44,1.3,2.14,159,73,86,74,8,2.36,1.3,1.0599999999999998,139.5,3.75,15,6,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,False,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,41.9,30.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VFeIrAuO4,VFeIrAuO4,multimetallic_oxide,4,"Au, Fe, Ir, O, V",-2.87,0.106,0.88,0.263,0.19,good,2,0.5,0.5,5,29.625,2.745,104.0,12.125,3.5,3.25,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,135.0,6.5,26,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Rhombohedral,0,0,0,0,0,1,0,5.0,41.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCoCuZrO4,VCoCuZrO4,multimetallic_oxide,4,"Co, Cu, O, V, Zr",-2.48,0.039,1.54,0.475,0.283,good,2,0.5,0.5,5,18.875,2.5625,104.875,11.625,3.125,2.75,3.44,1.33,2.11,160,73,87,40,8,1.9,1.33,0.5699999999999998,136.75,5.5,22,10,0.375,0.125,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,34.5,47.5,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCoZrOsO4,VCoZrOsO4,multimetallic_oxide,4,"Co, O, Os, V, Zr",-2.86,0.102,1.07,0.256,0.413,good,2,0.5,0.5,5,24.75,2.6,105.75,11.25,3.375,2.25,3.44,1.33,2.11,160,73,87,76,8,2.2,1.33,0.8700000000000001,138.5,4.5,18,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,12.0,29.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCoRuReO4,VCoRuReO4,multimetallic_oxide,4,"Co, O, Re, Ru, V",-2.54,0.261,1.35,0.347,0.4,good,2,0.5,0.5,5,25.125,2.67125,102.75,11.625,3.375,2.75,3.44,1.63,1.81,137,73,64,75,8,2.2,1.63,0.5700000000000003,132.5,5.5,22,7,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Hexagonal,0,0,1,0,0,0,0,13.5,56.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCoAgLaO4,VCoAgLaO4,multimetallic_oxide,4,"Ag, Co, La, O, V",-2.79,0.096,0.63,0.418,0.215,good,2,0.5,0.5,5,23.25,2.5375,110.25,11.5,3.375,2.625,3.44,1.1,2.34,187,73,114,57,8,1.93,1.1,0.8299999999999998,147.5,5.25,21,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,17.1,31.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,OER,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCoOsLaO4,VCoOsLaO4,multimetallic_oxide,4,"Co, La, O, Os, V",-3.7,0.069,1.84,0.27,0.34,excellent,3,0.5,0.5,5,26.875,2.57125,109.125,11.125,3.5,2.125,3.44,1.1,2.34,187,73,114,76,8,2.2,1.1,1.1,145.25,4.25,17,7,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,True,True,False,False,False,True,Triclinic,0,0,0,0,0,0,1,39.0,33.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VNiCuCeO4,VNiCuCeO4,multimetallic_oxide,4,"Ce, Cu, Ni, O, V",-2.54,0.518,1.21,0.355,0.239,good,2,0.5,0.5,5,21.25,2.54,107.5,11.625,3.25,2.75,3.44,1.12,2.32,182,73,109,58,8,1.91,1.12,0.7899999999999998,142.0,5.5,22,10,0.375,0.0,0.125,0.0,0,0,0.125,True,False,True,True,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,45.2,42.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VNiNbIrO4,VNiNbIrO4,multimetallic_oxide,4,"Ir, Nb, Ni, O, V",-2.47,0.408,1.19,0.348,0.322,good,2,0.5,0.5,5,25.125,2.6375,104.0,11.625,3.375,2.75,3.44,1.6,1.84,146,73,73,77,8,2.2,1.6,0.6000000000000001,135.0,5.5,22,8,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,18.5,32.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VNiRhAuO4,VNiRhAuO4,multimetallic_oxide,4,"Au, Ni, O, Rh, V",-2.7,0.015,1.5,0.296,0.19,good,2,0.5,0.5,5,25.875,2.765,103.5,12.375,3.375,3.625,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,134.0,7.25,29,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Monoclinic,0,0,0,0,1,0,0,21.6,26.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VNiTaAuO4,VNiTaAuO4,multimetallic_oxide,4,"Au, Ni, O, Ta, V",-2.21,0.009,1.41,0.33,0.281,good,2,0.5,0.5,5,29.375,2.6675,105.0,11.875,3.5,3.0,3.44,1.5,1.94,146,73,73,79,8,2.54,1.5,1.04,137.0,6.0,24,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,68.8,16.1,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VNiAuCeO4,VNiAuCeO4,multimetallic_oxide,4,"Au, Ce, Ni, O, V",-3.33,0.146,1.62,0.241,0.328,excellent,3,0.5,0.5,5,27.5,2.62,109.5,11.625,3.5,2.75,3.44,1.12,2.32,182,73,109,79,8,2.54,1.12,1.42,146.0,5.5,22,10,0.25,0.0,0.25,0.0,0,0,0.125,True,False,True,True,True,False,False,False,True,Orthorhombic,0,0,0,1,0,0,0,68.3,19.4,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCuNbMoO4,VCuNbMoO4,multimetallic_oxide,4,"Cu, Mo, Nb, O, V",-2.68,0.134,0.92,0.288,0.245,good,2,0.5,0.5,5,20.875,2.63125,104.875,11.375,3.25,2.75,3.44,1.6,1.84,146,73,73,42,8,2.16,1.6,0.56,136.75,5.5,22,10,0.25,0.25,0.0,0.0,0,0,0.0,True,True,False,True,True,False,False,False,False,Tetragonal,0,1,0,0,0,0,0,38.8,66.0,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCuRuCeO4,VCuRuCeO4,multimetallic_oxide,4,"Ce, Cu, O, Ru, V",-2.97,0.052,1.69,0.34,0.321,excellent,3,0.5,0.5,5,23.25,2.57625,108.75,11.375,3.375,2.625,3.44,1.12,2.32,182,73,109,58,8,2.2,1.12,1.08,144.5,5.25,21,10,0.25,0.125,0.125,0.0,0,0,0.125,True,True,True,True,True,False,False,False,True,Cubic,1,0,0,0,0,0,0,30.8,40.2,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),True,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCuHfAlO4,VCuHfAlO4,multimetallic_oxide,4,"Al, Cu, Hf, O, V",-2.55,0.142,1.36,0.316,0.265,good,2,0.5,0.5,5,21.125,2.525,103.875,12.125,3.125,1.875,3.44,1.3,2.14,159,73,86,72,8,1.9,1.3,0.5999999999999999,134.75,3.75,15,10,0.375,0.0,0.125,0.125,0,0,0.0,True,False,True,True,True,True,False,False,False,Cubic,1,0,0,0,0,0,0,23.1,29.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VCuPtAuO4,VCuPtAuO4,multimetallic_oxide,4,"Au, Cu, O, Pt, V",-3.32,0.103,1.01,0.294,0.334,excellent,3,0.5,0.5,5,30.125,2.76375,104.625,12.625,3.5,4.0,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,136.25,8.0,32,10,0.25,0.0,0.25,0.0,0,0,0.0,True,False,True,True,True,False,False,False,False,Orthorhombic,0,0,0,1,0,0,0,26.4,29.8,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VZnNbIrO4,VZnNbIrO4,multimetallic_oxide,4,"Ir, Nb, O, V, Zn",-2.68,0.235,1.72,0.331,0.425,good,2,0.5,0.5,5,25.375,2.605,105.25,11.875,3.375,3.0,3.44,1.6,1.84,146,73,73,77,8,2.2,1.6,0.6000000000000001,137.5,6.0,24,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Triclinic,0,0,0,0,0,0,1,20.7,14.6,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy
oxide_VZnRhAuO4,VZnRhAuO4,multimetallic_oxide,4,"Au, O, Rh, V, Zn",-2.65,0.147,0.86,0.176,0.213,good,2,0.5,0.5,5,26.125,2.7325,104.75,12.625,3.375,3.875,3.44,1.63,1.81,144,73,71,79,8,2.54,1.63,0.91,136.5,7.75,31,10,0.25,0.125,0.125,0.0,0,0,0.0,True,True,True,True,True,False,False,False,False,Cubic,1,0,0,0,0,0,0,37.8,37.7,Generated + Physics-informed estimation,"Based on OC22 (Chanussot et al., 2022), MP (Jain et al., 2013), and Sabatier principle",https://opencatalystproject.org/,DFT-inspired physics-based estimation,VASP (reference),False,True,HER|OER|seawater_splitting,"Rost et al., Nature Commun. 2015 (High Entropy Oxides)","Chanussot et al., ACS Catal. 2022 (OC22)",DFT (PBE); HEOS + configurational entropy