data/key value.csv

"key","description","unit"
"A","Single-ion anisotropy (out-of-plane)","meV"
"E_B","Exciton binding energy from BSE","eV"
"E_x","Soc. total energy, x-direction","eV/unit cell"
"E_y","Soc. total energy, y-direction","eV/unit cell"
"E_z","Soc. total energy, z-direction","eV/unit cell"
"J","Nearest neighbor exchange coupling","meV"
"N_nn","Number of nearest neighbors",""
"Topology","Band topology",""
"age","Time since creation",""
"alphax","Static total polarizability (x)","Å"
"alphax_el","Static interband polarizability (x)","Å"
"alphax_lat","Static lattice polarizability (x)","Å"
"alphay","Static total polarizability (y)","Å"
"alphay_el","Static interband polarizability (y)","Å"
"alphay_lat","Static lattice polarizability (y)","Å"
"alphaz","Static total polarizability (z)","Å"
"alphaz_el","Static interband polarizability (z)","Å"
"alphaz_lat","Static lattice polarizability (z)","Å"
"asr_id","Material unique ID",""
"c_11","Stiffness tensor, 11-component","N/m<sup>dim-1</sup>"
"c_12","Stiffness tensor, 12-component","N/m<sup>dim-1</sup>"
"c_13","Stiffness tensor, 13-component","N/m<sup>dim-1</sup>"
"c_21","Stiffness tensor, 21-component","N/m<sup>dim-1</sup>"
"c_22","Stiffness tensor, 22-component","N/m<sup>dim-1</sup>"
"c_23","Stiffness tensor, 23-component","N/m<sup>dim-1</sup>"
"c_31","Stiffness tensor, 31-component","N/m<sup>dim-1</sup>"
"c_32","Stiffness tensor, 32-component","N/m<sup>dim-1</sup>"
"c_33","Stiffness tensor, 33-component","N/m<sup>dim-1</sup>"
"calculator","ASE-calculator name",""
"cbm","Conduction band minimum","eV"
"cbm_gw","Conduction band minimum (G₀W₀)","eV"
"cbm_hse","Conduction band minimum (HSE06)","eV"
"cell_area","Area of unit-cell","ŲŲ"
"charge","Net charge in unit cell","|e|"
"class","Material class",""
"cod_id","Related COD id",""
"crystal_type","Crystal type",""
"dE_zx","Magnetic anisotropy (E<sub>z</sub> - E<sub>x</sub>)","meV/unit cell"
"dE_zy","Magnetic anisotropy (E<sub>z</sub> - E<sub>y</sub>)","meV/unit cell"
"dim_nclusters_0D","Number of 0D clusters.",""
"dim_nclusters_1D","Number of 1D clusters.",""
"dim_nclusters_2D","Number of 2D clusters.",""
"dim_nclusters_3D","Number of 3D clusters.",""
"dim_primary","Dim. with max. scoring parameter",""
"dim_primary_score","Dimensionality scoring parameter of primary dimensionality.",""
"dim_score_0123D","Dimensionality score of dimtype=0123D",""
"dim_score_012D","Dimensionality score of dimtype=012D",""
"dim_score_013D","Dimensionality score of dimtype=013D",""
"dim_score_01D","Dimensionality score of dimtype=01D",""
"dim_score_023D","Dimensionality score of dimtype=023D",""
"dim_score_02D","Dimensionality score of dimtype=02D",""
"dim_score_03D","Dimensionality score of dimtype=03D",""
"dim_score_0D","Dimensionality score of dimtype=0D",""
"dim_score_123D","Dimensionality score of dimtype=123D",""
"dim_score_12D","Dimensionality score of dimtype=12D",""
"dim_score_13D","Dimensionality score of dimtype=13D",""
"dim_score_1D","Dimensionality score of dimtype=1D",""
"dim_score_23D","Dimensionality score of dimtype=23D",""
"dim_score_2D","Dimensionality score of dimtype=2D",""
"dim_score_3D","Dimensionality score of dimtype=3D",""
"dim_threshold_0D","0D dimensionality threshold.",""
"dim_threshold_1D","1D dimensionality threshold.",""
"dim_threshold_2D","2D dimensionality threshold.",""
"dipz","Out-of-plane dipole along +z axis","e · Å/unit cell"
"doi","Monolayer reported DOI",""
"dos_at_ef_nosoc","Density of states at the Fermi level w/o soc.","states/(eV * unit cell)"
"dos_at_ef_soc","Density of states at the Fermi level","states/(eV * unit cell)"
"dynamic_stability_phonons","Phonon dynamic stability (low/high)",""
"dynamic_stability_stiffness","Stiffness dynamic stability (low/high)",""
"efermi","Fermi level","eV"
"ehull","Energy above convex hull","eV/atom"
"emass_cb_dir1","Conduction band effective mass, direction 1","m<sub>e</sub>"
"emass_cb_dir2","Conduction band effective mass, direction 2","m<sub>e</sub>"
"emass_vb_dir1","Valence band effective mass, direction 1","m<sub>e</sub>"
"emass_vb_dir2","Valence band effective mass, direction 2","m<sub>e</sub>"
"energy","Total energy","eV"
"etot","Total energy","eV"
"evac","Vacuum level","eV"
"evacdiff","Vacuum level difference","eV"
"first_class_material","A first class material marks a physical material.","bool"
"fmax","Maximum force","eV/Ang"
"folder","Path to collection folder",""
"formula","Chemical formula",""
"gap","Band gap","eV"
"gap_dir","Direct band gap","eV"
"gap_dir_gw","Direct band gap (G₀W₀)","eV"
"gap_dir_hse","Direct band gap (HSE06)","eV"
"gap_dir_nosoc","Direct gap w/o soc.","eV"
"gap_gw","Band gap (G₀W₀)","eV"
"gap_hse","Band gap (HSE06)","eV"
"gap_nosoc","Gap w/o soc.","eV"
"has_inversion_symmetry","Material has inversion symmetry",""
"hform","Heat of formation","eV/atom"
"icsd_id","Related ICSD id",""
"id","Uniqe row ID",""
"is_magnetic","Material is magnetic",""
"lam","Anisotropic exchange (out-of-plane)","meV"
"magmom","Magnetic moment","au"
"magstate","Magnetic state",""
"mass","Sum of atomic masses in unit cell","au"
"minhessianeig","Minimum eigenvalue of Hessian","ŲeV/Ų"
"natoms","Number of atoms",""
"nspins","Number of spins in calculator",""
"pbc","Periodic boundary conditions",""
"plasmafrequency_x","2D plasma frequency (x)","eV/Å<sup>0.5</sup>"
"plasmafrequency_y","2D plasma frequency (y)","eV/Å<sup>0.5</sup>"
"pointgroup","Point group",""
"smax","Maximum stress on unit cell","eV/Ang<sup>3</sup>"
"spacegroup","Space group",""
"speed_of_sound_x","Speed of sound (x)","m/s"
"speed_of_sound_y","Speed of sound (y)","m/s"
"spgnum","Space group number",""
"spin","Maximum value of S_z at magnetic sites",""
"spin_axis","Magnetic easy axis",""
"stoichiometry","Stoichiometry",""
"thermodynamic_stability_level","Thermodynamic stability level",""
"uid","Unique identifier",""
"unique_id","Random (unique) ID",""
"user","Username",""
"vbm","Valence band maximum","eV"
"vbm_gw","Valence band maximum (G₀W₀)","eV"
"vbm_hse","Valence band maximum (HSE06)","eV"
"volume","Volume of unit cell","Ang<sup>3</sup>"
"workfunction","Work function (avg. if finite dipole)","eV"