Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,000 | 13,221 | mp-12815 | -0.434899 | 0 | Na2LiAu3 | 0 | ['Au', 'Li', 'Na'] | # generated using pymatgen
data_Na2LiAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61838513
_cell_length_b 5.61838513
_cell_length_c 8.83478800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998976
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 194 | 194 | # generated using pymatgen
data_Na2LiAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61838513
_cell_length_b 5.61838513
_cell_length_c 8.83478800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,001 | 11,726 | mp-15649 | -0.482704 | 1.1531 | As2Ir | 0 | ['As', 'Ir'] | # generated using pymatgen
data_As2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15188200
_cell_length_b 6.14348200
_cell_length_c 6.24867269
_cell_angle_alpha 66.97179641
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 14 | 14 | # generated using pymatgen
data_As2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14348200
_cell_length_b 6.15188200
_cell_length_c 6.24867269
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.02820359
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,002 | 14,865 | mp-547244 | -2.417174 | 3.3085 | SrBiClO2 | 0 | ['Sr', 'Bi', 'Cl', 'O'] | # generated using pymatgen
data_SrBiClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98754986
_cell_length_b 6.98754986
_cell_length_c 5.68054400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.02014263
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_SrBiClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79314400
_cell_length_b 12.71781800
_cell_length_c 5.68054400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,003 | 1,159 | mp-1206286 | -0.607914 | 0 | PrAgGe | 0 | ['Ag', 'Ge', 'Pr'] | # generated using pymatgen
data_PrAgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58528003
_cell_length_b 4.58528003
_cell_length_c 7.74552400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000046
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_PrAgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58528003
_cell_length_b 4.58528003
_cell_length_c 7.74552400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,004 | 10,891 | mp-7116 | -1.292863 | 0 | Nb3CoS6 | 0 | ['Co', 'Nb', 'S'] | # generated using pymatgen
data_Nb3CoS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81605579
_cell_length_b 5.81605579
_cell_length_c 11.81201500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999758
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 182 | 182 | # generated using pymatgen
data_Nb3CoS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81605579
_cell_length_b 5.81605579
_cell_length_c 11.81201500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,005 | 27,156 | mp-1215740 | -1.948043 | 0.9453 | Zn3InGaO6 | 0.012547 | ['Ga', 'In', 'O', 'Zn'] | # generated using pymatgen
data_Zn3InGaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.17307494
_cell_length_b 14.17307494
_cell_length_c 14.17307470
_cell_angle_alpha 13.52134957
_cell_angle_beta 13.52134957
_cell_angle_gamma 13.52135285
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 160 | 160 | # generated using pymatgen
data_Zn3InGaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33697758
_cell_length_b 3.33697758
_cell_length_c 42.12455583
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,006 | 15,664 | mp-1209350 | -2.712661 | 3.3838 | Rb3YV2O8 | 0 | ['O', 'Rb', 'V', 'Y'] | # generated using pymatgen
data_Rb3YV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08180557
_cell_length_b 6.08180557
_cell_length_c 7.99080900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999532
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 164 | 164 | # generated using pymatgen
data_Rb3YV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08180557
_cell_length_b 6.08180557
_cell_length_c 7.99080900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,007 | 13,012 | mp-1025433 | -0.654052 | 0 | HoGa2Ni | 0 | ['Ga', 'Ho', 'Ni'] | # generated using pymatgen
data_HoGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45900640
_cell_length_b 5.45900640
_cell_length_c 6.64266300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.71094078
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_HoGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11548200
_cell_length_b 10.11265600
_cell_length_c 6.64266300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,008 | 28,445 | mp-8320 | -0.604898 | 0 | SmScSi | 0.013837 | ['Sm', 'Sc', 'Si'] | # generated using pymatgen
data_SmScSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42317297
_cell_length_b 8.42317297
_cell_length_c 8.42317297
_cell_angle_alpha 150.69219922
_cell_angle_beta 150.69219922
_cell_angle_gamma 41.92626979
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_SmScSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26178200
_cell_length_b 4.26178200
_cell_length_c 15.73130001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,009 | 42,416 | mp-756626 | -1.814009 | 0 | Li4Mn(TeO4)3 | 0.064725 | ['Li', 'Mn', 'O', 'Te'] | # generated using pymatgen
data_Li4Mn(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20019000
_cell_length_b 5.48608030
_cell_length_c 7.64033171
_cell_angle_alpha 85.86238975
_cell_angle_beta 89.73653992
_cell_angle_gamma 89.84414629
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 1 | 1 | # generated using pymatgen
data_Li4Mn(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20019000
_cell_length_b 5.48608030
_cell_length_c 7.64033171
_cell_angle_alpha 85.86238975
_cell_angle_beta 89.73653992
_cell_angle_gamma 89.84414629
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,010 | 22,174 | mp-1216889 | -1.10421 | 0 | U5P4S | 0.002977 | ['P', 'S', 'U'] | # generated using pymatgen
data_U5P4S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.98405484
_cell_length_b 15.98405484
_cell_length_c 15.98405541
_cell_angle_alpha 14.11314231
_cell_angle_beta 14.11314231
_cell_angle_gamma 14.11314532
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_U5P4S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92725924
_cell_length_b 3.92725924
_cell_length_c 47.46725224
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,011 | 22,288 | mp-1522789 | -3.010907 | 0 | SrNdEuSbO6 | 0.003124 | ['Eu', 'Nd', 'O', 'Sb', 'Sr'] | # generated using pymatgen
data_SrNdEuSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92027598
_cell_length_b 6.04123180
_cell_length_c 8.44687013
_cell_angle_alpha 90.12420489
_cell_angle_beta 90.38269358
_cell_angle_gamma 90.13207137
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_SrNdEuSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92027598
_cell_length_b 6.04123180
_cell_length_c 8.44687013
_cell_angle_alpha 90.12420489
_cell_angle_beta 90.38269358
_cell_angle_gamma 90.13207137
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,012 | 12,561 | mp-1102757 | -1.103658 | 0 | HoGaPt | 0 | ['Ga', 'Ho', 'Pt'] | # generated using pymatgen
data_HoGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45683100
_cell_length_b 6.88037200
_cell_length_c 7.64251200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_HoGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45683100
_cell_length_b 6.88037200
_cell_length_c 7.64251200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,013 | 36,085 | mp-1174646 | -2.13673 | 0 | Li5Mn3O8 | 0.038322 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_Li5Mn3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92637100
_cell_length_b 4.99821500
_cell_length_c 5.09100123
_cell_angle_alpha 71.30843724
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_Li5Mn3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99821500
_cell_length_b 5.92637100
_cell_length_c 5.09100123
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.69156276
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,014 | 40,744 | mp-1225658 | -0.473107 | 0 | Er2MnGa3 | 0.057926 | ['Er', 'Ga', 'Mn'] | # generated using pymatgen
data_Er2MnGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65964590
_cell_length_b 5.65964590
_cell_length_c 7.06865653
_cell_angle_alpha 51.86495882
_cell_angle_beta 51.86495882
_cell_angle_gamma 45.37821715
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_Er2MnGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.44330800
_cell_length_b 4.36619800
_cell_length_c 7.06865653
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.01416527
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,015 | 38,312 | mp-17658 | -0.53908 | 0 | Sm(NiGe)3 | 0.046392 | ['Ge', 'Ni', 'Sm'] | # generated using pymatgen
data_Sm(NiGe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.91701964
_cell_length_b 12.91701964
_cell_length_c 12.91701964
_cell_angle_alpha 161.49767094
_cell_angle_beta 161.49767094
_cell_angle_gamma 26.28252650
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 139 | 139 | # generated using pymatgen
data_Sm(NiGe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15314800
_cell_length_b 4.15314800
_cell_length_c 25.15750999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,016 | 4,174 | mp-1211828 | -2.565201 | 0 | K2RbEuV2O8 | 0 | ['Eu', 'K', 'O', 'Rb', 'V'] | # generated using pymatgen
data_K2RbEuV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11857305
_cell_length_b 6.11857305
_cell_length_c 7.91232700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001136
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 164 | 164 | # generated using pymatgen
data_K2RbEuV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11857305
_cell_length_b 6.11857305
_cell_length_c 7.91232700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,017 | 45,104 | mp-1232057 | -1.897881 | 1.7634 | Sm2MgSe4 | 0.078869 | ['Mg', 'Se', 'Sm'] | # generated using pymatgen
data_Sm2MgSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64662131
_cell_length_b 7.64662131
_cell_length_c 7.64662131
_cell_angle_alpha 110.75438954
_cell_angle_beta 110.75438954
_cell_angle_gamma 106.93428234
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 122 | 122 | # generated using pymatgen
data_Sm2MgSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.68918200
_cell_length_b 8.68918200
_cell_length_c 9.10381800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,018 | 38,755 | mp-1229051 | -0.15657 | 0 | Al3NiMo12 | 0.047833 | ['Al', 'Mo', 'Ni'] | # generated using pymatgen
data_Al3NiMo12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96658600
_cell_length_b 4.96627300
_cell_length_c 9.95159400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 47 | 47 | # generated using pymatgen
data_Al3NiMo12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96627300
_cell_length_b 4.96658600
_cell_length_c 9.95159400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,019 | 31,745 | mp-1225853 | -0.620418 | 0 | Cu2NiSn3S8 | 0.023754 | ['Cu', 'Ni', 'S', 'Sn'] | # generated using pymatgen
data_Cu2NiSn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31010844
_cell_length_b 7.31010844
_cell_length_c 7.31010790
_cell_angle_alpha 60.60525327
_cell_angle_beta 60.60525327
_cell_angle_gamma 60.60525370
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Cu2NiSn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37688184
_cell_length_b 7.37688184
_cell_length_c 17.82369182
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,020 | 14,843 | mp-4385 | -1.763228 | 2.6795 | CdCO3 | 0 | ['Cd', 'C', 'O'] | # generated using pymatgen
data_CdCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24900395
_cell_length_b 6.24900395
_cell_length_c 6.24900381
_cell_angle_alpha 47.33189597
_cell_angle_beta 47.33189597
_cell_angle_gamma 47.33189366
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 167 | 167 | # generated using pymatgen
data_CdCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01674409
_cell_length_b 5.01674409
_cell_length_c 16.61166107
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,021 | 32,690 | mp-1218247 | -2.140167 | 0 | SrMn2BiO6 | 0.026833 | ['Bi', 'Mn', 'O', 'Sr'] | # generated using pymatgen
data_SrMn2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58766466
_cell_length_b 5.58526602
_cell_length_c 5.58766466
_cell_angle_alpha 59.57443013
_cell_angle_beta 90.71341117
_cell_angle_gamma 120.42561165
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 107 | 107 | # generated using pymatgen
data_SrMn2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55049066
_cell_length_b 5.55049066
_cell_length_c 7.95119401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,022 | 24,605 | mp-1187327 | -0.478313 | 0 | TbDyHg2 | 0.007724 | ['Dy', 'Hg', 'Tb'] | # generated using pymatgen
data_TbDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28495002
_cell_length_b 5.28495002
_cell_length_c 5.28495002
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_TbDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47404799
_cell_length_b 7.47404799
_cell_length_c 7.47404799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,023 | 23,206 | mp-1221224 | -2.017094 | 4.1498 | Na3BrCl2 | 0.0042 | ['Br', 'Cl', 'Na'] | # generated using pymatgen
data_Na3BrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11369802
_cell_length_b 4.11369802
_cell_length_c 10.08449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000040
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Na3BrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11369802
_cell_length_b 4.11369802
_cell_length_c 10.08449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,024 | 36,901 | mp-753092 | -2.290787 | 2.1958 | Li4Ni3O3F4 | 0.040361 | ['F', 'Li', 'Ni', 'O'] | # generated using pymatgen
data_Li4Ni3O3F4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.67827860
_cell_length_b 14.67827860
_cell_length_c 14.67827860
_cell_angle_alpha 168.49522376
_cell_angle_beta 168.49522376
_cell_angle_gamma 16.29778055
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 139 | 139 | # generated using pymatgen
data_Li4Ni3O3F4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94239400
_cell_length_b 2.94239400
_cell_length_c 29.06014600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,025 | 25,611 | mp-1185130 | -0.084331 | 0 | LaTmMg2 | 0.009432 | ['La', 'Mg', 'Tm'] | # generated using pymatgen
data_LaTmMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45150195
_cell_length_b 5.45150195
_cell_length_c 5.45150195
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_LaTmMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70958799
_cell_length_b 7.70958799
_cell_length_c 7.70958799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,026 | 1,717 | mp-1385 | -0.295841 | 0 | CeZn2 | 0 | ['Ce', 'Zn'] | # generated using pymatgen
data_CeZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72915645
_cell_length_b 5.72915645
_cell_length_c 5.72915645
_cell_angle_alpha 132.51756402
_cell_angle_beta 106.06250891
_cell_angle_gamma 92.72245335
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_CeZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61319000
_cell_length_b 6.89079200
_cell_length_c 7.90749000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
24,027 | 37,829 | mp-23532 | -1.320863 | 0 | NiBiO3 | 0.044691 | ['Bi', 'Ni', 'O'] | # generated using pymatgen
data_NiBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37565700
_cell_length_b 5.73356300
_cell_length_c 7.74435300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_NiBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37565700
_cell_length_b 5.73356300
_cell_length_c 7.74435300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,028 | 20,289 | mp-30850 | -0.709282 | 0 | TaPt3 | 0.0003 | ['Ta', 'Pt'] | # generated using pymatgen
data_TaPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61417200
_cell_length_b 4.93414900
_cell_length_c 5.61376900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 59 | 59 | # generated using pymatgen
data_TaPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61417200
_cell_length_b 4.93414900
_cell_length_c 5.61376900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,029 | 40,481 | mp-982780 | 0.02685 | 0 | K3Cd | 0.05621 | ['K', 'Cd'] | # generated using pymatgen
data_K3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95290400
_cell_length_b 5.95290400
_cell_length_c 5.95290400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3... | 221 | 221 | # generated using pymatgen
data_K3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95290400
_cell_length_b 5.95290400
_cell_length_c 5.95290400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3... |
24,030 | 28,885 | mp-569698 | -0.712083 | 0 | UAl2Pd5 | 0.015562 | ['Al', 'Pd', 'U'] | # generated using pymatgen
data_UAl2Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01108535
_cell_length_b 8.01108535
_cell_length_c 8.01108535
_cell_angle_alpha 149.65678017
_cell_angle_beta 149.65678017
_cell_angle_gamma 43.44544648
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_UAl2Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19317800
_cell_length_b 4.19317800
_cell_length_c 14.88437000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,031 | 5,546 | mp-1079744 | -0.676756 | 0 | SmCdPd | 0 | ['Cd', 'Pd', 'Sm'] | # generated using pymatgen
data_SmCdPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73780191
_cell_length_b 7.73780191
_cell_length_c 3.96614300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999925
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_SmCdPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73780191
_cell_length_b 7.73780191
_cell_length_c 3.96614300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,032 | 12,082 | mp-1105775 | -1.734761 | 0.655 | Sc4OsCl4 | 0 | ['Cl', 'Os', 'Sc'] | # generated using pymatgen
data_Sc4OsCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07649135
_cell_length_b 8.07649135
_cell_length_c 6.15920931
_cell_angle_alpha 89.48572423
_cell_angle_beta 89.48572423
_cell_angle_gamma 89.30910862
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Sc4OsCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.49054001
_cell_length_b 11.35281201
_cell_length_c 6.15920931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.72295963
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,033 | 30,437 | mp-862789 | -0.674205 | 0 | Er2ZnIr | 0.019343 | ['Er', 'Ir', 'Zn'] | # generated using pymatgen
data_Er2ZnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88635676
_cell_length_b 4.88635676
_cell_length_c 4.88635676
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Er2ZnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91035200
_cell_length_b 6.91035200
_cell_length_c 6.91035200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,034 | 27,195 | mp-1220182 | -0.390745 | 0 | NdCu3Pd2 | 0.012365 | ['Cu', 'Nd', 'Pd'] | # generated using pymatgen
data_NdCu3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18932835
_cell_length_b 5.18932835
_cell_length_c 5.18932835
_cell_angle_alpha 122.03214564
_cell_angle_beta 116.65407914
_cell_angle_gamma 91.20342477
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_NdCu3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02912600
_cell_length_b 5.44952200
_cell_length_c 7.26134400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,035 | 30,596 | mp-1183648 | -0.218281 | 0 | Cd3Pd | 0.020902 | ['Cd', 'Pd'] | # generated using pymatgen
data_Cd3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00986632
_cell_length_b 6.00986632
_cell_length_c 4.94933400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000353
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Cd3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00986632
_cell_length_b 6.00986632
_cell_length_c 4.94933400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,036 | 16,875 | mp-504506 | -2.07922 | 3.9987 | RbIn(MoO4)2 | 0 | ['In', 'Mo', 'O', 'Rb'] | # generated using pymatgen
data_RbIn(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94709222
_cell_length_b 5.94709222
_cell_length_c 7.88645300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000240
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 164 | 164 | # generated using pymatgen
data_RbIn(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94709222
_cell_length_b 5.94709222
_cell_length_c 7.88645300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,037 | 1,209 | mp-1216546 | -0.342261 | 0 | Tm2C | 0 | ['C', 'Tm'] | # generated using pymatgen
data_Tm2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31761905
_cell_length_b 6.31761905
_cell_length_c 6.31761853
_cell_angle_alpha 32.55513874
_cell_angle_beta 32.55513874
_cell_angle_gamma 32.55513214
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm... | 166 | 166 | # generated using pymatgen
data_Tm2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54154228
_cell_length_b 3.54154228
_cell_length_c 17.93274121
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,038 | 37,954 | mp-862735 | -0.392647 | 0 | SmAg2Sn | 0.043716 | ['Ag', 'Sm', 'Sn'] | # generated using pymatgen
data_SmAg2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03156397
_cell_length_b 5.03156397
_cell_length_c 5.03156397
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_SmAg2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11570601
_cell_length_b 7.11570601
_cell_length_c 7.11570601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,039 | 30,630 | mp-1187631 | -0.437356 | 0 | Tm2GaCu | 0.020324 | ['Cu', 'Ga', 'Tm'] | # generated using pymatgen
data_Tm2GaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90615292
_cell_length_b 4.90615292
_cell_length_c 4.90615292
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Tm2GaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93834800
_cell_length_b 6.93834800
_cell_length_c 6.93834800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,040 | 9,259 | mp-21883 | -0.298427 | 0 | VGaFe2 | 0 | ['V', 'Ga', 'Fe'] | # generated using pymatgen
data_VGaFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04244037
_cell_length_b 4.04244037
_cell_length_c 4.04244037
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_VGaFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71687400
_cell_length_b 5.71687400
_cell_length_c 5.71687400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,041 | 5,170 | mp-1213006 | -0.408886 | 0 | Er2OsC2 | 0 | ['C', 'Er', 'Os'] | # generated using pymatgen
data_Er2OsC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07605700
_cell_length_b 6.41518200
_cell_length_c 9.74209700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_Er2OsC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07605700
_cell_length_b 6.41518200
_cell_length_c 9.74209700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,042 | 40,315 | mp-22995 | -0.266884 | 0.5429 | Ag3SI | 0.054929 | ['Ag', 'I', 'S'] | # generated using pymatgen
data_Ag3SI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95772377
_cell_length_b 4.95772377
_cell_length_c 4.95772339
_cell_angle_alpha 89.90935870
_cell_angle_beta 89.90935870
_cell_angle_gamma 89.90935680
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 146 | 146 | # generated using pymatgen
data_Ag3SI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00573192
_cell_length_b 7.00573192
_cell_length_c 8.60060319
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,043 | 42,771 | mp-1246808 | -1.101491 | 0.0224 | Mg2Cr3FeS8 | 0.067443 | ['Cr', 'Fe', 'Mg', 'S'] | # generated using pymatgen
data_Mg2Cr3FeS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14066467
_cell_length_b 7.12757996
_cell_length_c 7.14772814
_cell_angle_alpha 60.44425587
_cell_angle_beta 60.27274359
_cell_angle_gamma 60.31309722
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Mg2Cr3FeS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17670837
_cell_length_b 7.17670837
_cell_length_c 17.44055892
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,044 | 1,898 | mp-6931 | -0.26715 | 0 | Sr(AlSi)2 | 0 | ['Sr', 'Al', 'Si'] | # generated using pymatgen
data_Sr(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20633031
_cell_length_b 4.20633031
_cell_length_c 7.44788900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000495
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Sr(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20633031
_cell_length_b 4.20633031
_cell_length_c 7.44788900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,045 | 7,046 | mp-1083 | -0.407968 | 0 | NpB2 | 0 | ['B', 'Np'] | # generated using pymatgen
data_NpB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04285772
_cell_length_b 3.04285772
_cell_length_c 3.99071800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999382
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 191 | 191 | # generated using pymatgen
data_NpB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04285772
_cell_length_b 3.04285772
_cell_length_c 3.99071800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
24,046 | 8,885 | mp-561433 | -2.692829 | 0.4643 | KPuCO5 | 0 | ['C', 'K', 'O', 'Pu'] | # generated using pymatgen
data_KPuCO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13292573
_cell_length_b 5.13292573
_cell_length_c 10.56303200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999652
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_KPuCO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13292573
_cell_length_b 5.13292573
_cell_length_c 10.56303200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,047 | 39,537 | mp-1079754 | -0.404473 | 0 | NiPSe3 | 0.053722 | ['Ni', 'P', 'Se'] | # generated using pymatgen
data_NiPSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16327728
_cell_length_b 6.16327728
_cell_length_c 6.93231534
_cell_angle_alpha 81.51156731
_cell_angle_beta 81.51156731
_cell_angle_gamma 120.03129151
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_NiPSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16036200
_cell_length_b 10.67679200
_cell_length_c 6.93231534
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.17907682
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,048 | 17,854 | mp-551092 | -1.813747 | 2.3118 | KLiZnO2 | 0 | ['K', 'Li', 'Zn', 'O'] | # generated using pymatgen
data_KLiZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73799353
_cell_length_b 5.73799353
_cell_length_c 8.33498711
_cell_angle_alpha 61.39542036
_cell_angle_beta 61.39542036
_cell_angle_gamma 34.33233728
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_KLiZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.96476399
_cell_length_b 3.38706800
_cell_length_c 8.33498711
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.07173738
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,049 | 12,934 | mp-864598 | -0.21572 | 0 | LiMg2Ag | 0 | ['Li', 'Mg', 'Ag'] | # generated using pymatgen
data_LiMg2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72660578
_cell_length_b 4.72660578
_cell_length_c 4.72660578
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_LiMg2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68443000
_cell_length_b 6.68443000
_cell_length_c 6.68443000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,050 | 24,771 | mp-1247749 | -1.556117 | 0.9682 | CsSnBr3 | 0.007295 | ['Br', 'Cs', 'Sn'] | # generated using pymatgen
data_CsSnBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.22479200
_cell_length_b 8.29601400
_cell_length_c 11.84331600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_CsSnBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.22479200
_cell_length_b 8.29601400
_cell_length_c 11.84331600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,051 | 25,142 | mp-1188596 | -0.745954 | 0 | Er2Si5Ni3 | 0.008026 | ['Er', 'Ni', 'Si'] | # generated using pymatgen
data_Er2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84378312
_cell_length_b 7.84378312
_cell_length_c 7.84378312
_cell_angle_alpha 138.07058986
_cell_angle_beta 104.32817105
_cell_angle_gamma 90.49022447
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 72 | 72 | # generated using pymatgen
data_Er2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61289800
_cell_length_b 9.62278800
_cell_length_c 11.04522800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,052 | 7,057 | mp-1101973 | -1.074827 | 0 | YbAsPt | 0 | ['As', 'Pt', 'Yb'] | # generated using pymatgen
data_YbAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30925226
_cell_length_b 4.30925226
_cell_length_c 15.56882200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000394
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_YbAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30925226
_cell_length_b 4.30925226
_cell_length_c 15.56882200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,053 | 40,177 | mp-1218566 | -2.454313 | 0 | SrEu3(NiO4)2 | 0.056194 | ['Eu', 'Ni', 'O', 'Sr'] | # generated using pymatgen
data_SrEu3(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76451127
_cell_length_b 6.76451127
_cell_length_c 5.38033400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 132.91539428
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 38 | 38 | # generated using pymatgen
data_SrEu3(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40384400
_cell_length_b 12.40294001
_cell_length_c 5.38033400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,054 | 29,533 | mp-1086653 | -0.27335 | 0 | Yb(BC)2 | 0.018226 | ['B', 'C', 'Yb'] | # generated using pymatgen
data_Yb(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78217100
_cell_length_b 3.78217100
_cell_length_c 7.40314000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 131 | 131 | # generated using pymatgen
data_Yb(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78217100
_cell_length_b 3.78217100
_cell_length_c 7.40314000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,055 | 17,735 | mp-1523086 | -2.611538 | 0.4695 | Eu2ZnWO6 | 0 | ['Eu', 'O', 'W', 'Zn'] | # generated using pymatgen
data_Eu2ZnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68977929
_cell_length_b 5.68977929
_cell_length_c 5.68977929
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Eu2ZnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04656304
_cell_length_b 8.04656304
_cell_length_c 8.04656304
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,056 | 8,314 | mp-31089 | -0.844131 | 0 | Ho2Pd2Pb | 0 | ['Ho', 'Pb', 'Pd'] | # generated using pymatgen
data_Ho2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94794600
_cell_length_b 7.94794600
_cell_length_c 3.57163400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Ho2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94794600
_cell_length_b 7.94794600
_cell_length_c 3.57163400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,057 | 28,642 | mp-1187974 | -0.038408 | 0 | ZnAg | 0.016121 | ['Ag', 'Zn'] | # generated using pymatgen
data_ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91398968
_cell_length_b 2.91398968
_cell_length_c 4.50504000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999280
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | 187 | 187 | # generated using pymatgen
data_ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91398968
_cell_length_b 2.91398968
_cell_length_c 4.50504000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... |
24,058 | 24,919 | mp-755141 | -3.165204 | 4.1779 | NaHoO2 | 0.00719 | ['Ho', 'Na', 'O'] | # generated using pymatgen
data_NaHoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10620228
_cell_length_b 6.10620228
_cell_length_c 6.10620228
_cell_angle_alpha 135.64761329
_cell_angle_beta 135.64761329
_cell_angle_gamma 64.52560359
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_NaHoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60964600
_cell_length_b 4.60964600
_cell_length_c 10.32691400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,059 | 10,329 | mp-31058 | -1.084737 | 0 | Er3InN | 0 | ['Er', 'In', 'N'] | # generated using pymatgen
data_Er3InN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76446900
_cell_length_b 4.76446900
_cell_length_c 4.76446900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_Er3InN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76446900
_cell_length_b 4.76446900
_cell_length_c 4.76446900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,060 | 34,613 | mp-1181447 | -0.641436 | 0 | EuH2 | 0.032823 | ['Eu', 'H'] | # generated using pymatgen
data_EuH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97549554
_cell_length_b 3.97549554
_cell_length_c 5.47575800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999238
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 194 | 194 | # generated using pymatgen
data_EuH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97549554
_cell_length_b 3.97549554
_cell_length_c 5.47575800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
24,061 | 31,561 | mp-1112793 | -1.198699 | 2.1792 | Cs2KAsI6 | 0.024095 | ['As', 'Cs', 'I', 'K'] | # generated using pymatgen
data_Cs2KAsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88603556
_cell_length_b 8.88603556
_cell_length_c 8.88603556
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Cs2KAsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.56675200
_cell_length_b 12.56675200
_cell_length_c 12.56675200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,062 | 23,083 | mp-1184169 | -0.473493 | 0 | ErLuHg2 | 0.0049 | ['Er', 'Hg', 'Lu'] | # generated using pymatgen
data_ErLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19330191
_cell_length_b 5.19330191
_cell_length_c 5.19330191
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_ErLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34443799
_cell_length_b 7.34443799
_cell_length_c 7.34443799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,063 | 16,005 | mp-1018713 | -0.269108 | 0 | HfCuSn | 0 | ['Cu', 'Hf', 'Sn'] | # generated using pymatgen
data_HfCuSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49211191
_cell_length_b 4.49211191
_cell_length_c 6.40090700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999861
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_HfCuSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49211191
_cell_length_b 4.49211191
_cell_length_c 6.40090700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,064 | 8,174 | mp-1219962 | -0.570271 | 0 | Pr2CoSn4 | 0 | ['Co', 'Pr', 'Sn'] | # generated using pymatgen
data_Pr2CoSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57776200
_cell_length_b 4.59869300
_cell_length_c 8.82893194
_cell_angle_alpha 74.90423175
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_Pr2CoSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59869300
_cell_length_b 17.04852399
_cell_length_c 4.57776200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,065 | 23,079 | mp-1183792 | -0.474714 | 0 | DyLuHg2 | 0.004347 | ['Dy', 'Hg', 'Lu'] | # generated using pymatgen
data_DyLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22351517
_cell_length_b 5.22351517
_cell_length_c 5.22351517
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_DyLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38716600
_cell_length_b 7.38716600
_cell_length_c 7.38716600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,066 | 14,596 | mp-1185013 | -1.129666 | 0 | LaYbPt2 | 0 | ['La', 'Pt', 'Yb'] | # generated using pymatgen
data_LaYbPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04247604
_cell_length_b 5.04247604
_cell_length_c 5.04247604
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_LaYbPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13113800
_cell_length_b 7.13113800
_cell_length_c 7.13113800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,067 | 19,653 | mp-1211624 | -2.356121 | 2.9118 | K4ZrO4 | 0 | ['K', 'O', 'Zr'] | # generated using pymatgen
data_K4ZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64856100
_cell_length_b 6.67875798
_cell_length_c 9.92888500
_cell_angle_alpha 71.50599613
_cell_angle_beta 79.79359736
_cell_angle_gamma 66.90703813
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_K4ZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64856100
_cell_length_b 6.67875798
_cell_length_c 9.92888500
_cell_angle_alpha 71.50599613
_cell_angle_beta 79.79359736
_cell_angle_gamma 66.90703813
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,068 | 3,904 | mp-754594 | -2.515151 | 2.9644 | VBO4 | 0 | ['B', 'O', 'V'] | # generated using pymatgen
data_VBO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03980849
_cell_length_b 5.03980849
_cell_length_c 5.03980849
_cell_angle_alpha 122.06097002
_cell_angle_beta 122.06097002
_cell_angle_gamma 86.46588766
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 82 | 82 | # generated using pymatgen
data_VBO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88200400
_cell_length_b 4.88200400
_cell_length_c 7.34375601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VB... |
24,069 | 32,007 | mp-1025279 | -0.983394 | 0 | Ti(CrSe2)2 | 0.025618 | ['Cr', 'Se', 'Ti'] | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98080642
_cell_length_b 6.98080642
_cell_length_c 6.52292131
_cell_angle_alpha 62.72570681
_cell_angle_beta 62.72570681
_cell_angle_gamma 30.25059248
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.47794799
_cell_length_b 3.64301400
_cell_length_c 6.52292131
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.33952198
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,070 | 31,516 | mp-10554 | -0.701882 | 0 | Ca3TlN | 0.02351 | ['Ca', 'N', 'Tl'] | # generated using pymatgen
data_Ca3TlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95382400
_cell_length_b 4.95382400
_cell_length_c 4.95382400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_Ca3TlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95382400
_cell_length_b 4.95382400
_cell_length_c 4.95382400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,071 | 44,829 | mp-21070 | -0.837191 | 0 | Nd(GePt)2 | 0.077199 | ['Ge', 'Nd', 'Pt'] | # generated using pymatgen
data_Nd(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91008704
_cell_length_b 5.91008704
_cell_length_c 5.91008704
_cell_angle_alpha 136.08680386
_cell_angle_beta 136.08680386
_cell_angle_gamma 63.84616363
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Nd(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41961200
_cell_length_b 4.41961200
_cell_length_c 10.03247600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,072 | 41,631 | mp-1186294 | -0.194845 | 0 | NdAg3 | 0.06279 | ['Ag', 'Nd'] | # generated using pymatgen
data_NdAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57794657
_cell_length_b 6.57794657
_cell_length_c 4.86464800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000574
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_NdAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57794657
_cell_length_b 6.57794657
_cell_length_c 4.86464800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,073 | 30,523 | mp-1079407 | -0.350827 | 0 | NiPW | 0.020637 | ['Ni', 'P', 'W'] | # generated using pymatgen
data_NiPW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83520768
_cell_length_b 5.83520768
_cell_length_c 3.78622600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999642
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 189 | 189 | # generated using pymatgen
data_NiPW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83520768
_cell_length_b 5.83520768
_cell_length_c 3.78622600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
24,074 | 41,121 | mp-1183338 | -0.291171 | 0 | BaNa2Sn | 0.060152 | ['Ba', 'Na', 'Sn'] | # generated using pymatgen
data_BaNa2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64693637
_cell_length_b 5.64693637
_cell_length_c 5.64693637
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_BaNa2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98597400
_cell_length_b 7.98597400
_cell_length_c 7.98597400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,075 | 18,829 | mp-541177 | -3.252684 | 1.4497 | GdVO3 | 0 | ['Gd', 'O', 'V'] | # generated using pymatgen
data_GdVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41084900
_cell_length_b 5.69855300
_cell_length_c 7.72752200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 62 | 62 | # generated using pymatgen
data_GdVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41084900
_cell_length_b 5.69855300
_cell_length_c 7.72752200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
24,076 | 39,032 | mp-1071032 | -0.608962 | 1.604 | GeS2 | 0.051601 | ['Ge', 'S'] | # generated using pymatgen
data_GeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53275000
_cell_length_b 3.53275000
_cell_length_c 11.50966800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 137 | 137 | # generated using pymatgen
data_GeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53275000
_cell_length_b 3.53275000
_cell_length_c 11.50966800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
24,077 | 23,965 | mp-9167 | -1.033238 | 3.6519 | SrCN2 | 0.005259 | ['C', 'N', 'Sr'] | # generated using pymatgen
data_SrCN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00149400
_cell_length_b 5.43824400
_cell_length_c 12.56605200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_SrCN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00149400
_cell_length_b 5.43824400
_cell_length_c 12.56605200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,078 | 28,939 | mp-769118 | -3.033668 | 1.2121 | HoSO | 0.015983 | ['Ho', 'O', 'S'] | # generated using pymatgen
data_HoSO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84483499
_cell_length_b 6.84483499
_cell_length_c 5.64854900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.18936790
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 64 | 64 | # generated using pymatgen
data_HoSO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65642000
_cell_length_b 12.46643401
_cell_length_c 5.64854900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,079 | 23,430 | mp-760439 | -3.317216 | 0 | TaTiO4 | 0.004968 | ['Ta', 'Ti', 'O'] | # generated using pymatgen
data_TaTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66133426
_cell_length_b 5.66133426
_cell_length_c 5.66133426
_cell_angle_alpha 106.79320024
_cell_angle_beta 106.79320024
_cell_angle_gamma 114.97126242
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 109 | 109 | # generated using pymatgen
data_TaTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75139601
_cell_length_b 6.75139601
_cell_length_c 6.08606000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,080 | 17,807 | mp-2620 | -0.792685 | 0 | DySi | 0 | ['Dy', 'Si'] | # generated using pymatgen
data_DySi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68876860
_cell_length_b 5.68876860
_cell_length_c 3.83474500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.74611625
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | 63 | 63 | # generated using pymatgen
data_DySi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28546200
_cell_length_b 10.53960000
_cell_length_c 3.83474500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... |
24,081 | 19,199 | mp-1223510 | -0.290721 | 0 | KBiPb | 0 | ['Bi', 'K', 'Pb'] | # generated using pymatgen
data_KBiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99734102
_cell_length_b 6.99734102
_cell_length_c 6.99734102
_cell_angle_alpha 123.72356945
_cell_angle_beta 119.56534271
_cell_angle_gamma 87.21418725
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 44 | 44 | # generated using pymatgen
data_KBiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59989400
_cell_length_b 7.04326200
_cell_length_c 10.13336000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,082 | 37,062 | mp-1104863 | -2.095934 | 0.1994 | BaYbFe4O7 | 0.043238 | ['Ba', 'Fe', 'O', 'Yb'] | # generated using pymatgen
data_BaYbFe4O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41128701
_cell_length_b 6.41128701
_cell_length_c 6.41128701
_cell_angle_alpha 119.80725695
_cell_angle_beta 119.80725695
_cell_angle_gamma 90.33416621
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 82 | 82 | # generated using pymatgen
data_BaYbFe4O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42995600
_cell_length_b 6.42995600
_cell_length_c 9.04045000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,083 | 39,083 | mp-1112983 | -1.821231 | 3.5129 | Cs3AsCl6 | 0.050264 | ['As', 'Cl', 'Cs'] | # generated using pymatgen
data_Cs3AsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17137546
_cell_length_b 8.17137546
_cell_length_c 8.17137546
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Cs3AsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.55607000
_cell_length_b 11.55607000
_cell_length_c 11.55607000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,084 | 39,059 | mp-1103870 | -0.076366 | 0 | Eu(In2Ag)4 | 0.050749 | ['Ag', 'Eu', 'In'] | # generated using pymatgen
data_Eu(In2Ag)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13853028
_cell_length_b 8.13853028
_cell_length_c 8.13853028
_cell_angle_alpha 98.38959050
_cell_angle_beta 98.38959050
_cell_angle_gamma 135.08811565
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Eu(In2Ag)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63688600
_cell_length_b 10.63688600
_cell_length_c 6.21739600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,085 | 42,745 | mp-1225308 | -0.253351 | 0 | DyAlCo4 | 0.068124 | ['Al', 'Co', 'Dy'] | # generated using pymatgen
data_DyAlCo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87447800
_cell_length_b 5.02769301
_cell_length_c 5.02716063
_cell_angle_alpha 60.00163384
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_DyAlCo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02735581
_cell_length_b 5.02735581
_cell_length_c 3.87447800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,086 | 41,363 | mp-614964 | -2.021409 | 0 | Ba2PrCu3O8 | 0.059292 | ['Ba', 'Cu', 'O', 'Pr'] | # generated using pymatgen
data_Ba2PrCu3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97595500
_cell_length_b 3.97595500
_cell_length_c 11.72950400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 123 | 123 | # generated using pymatgen
data_Ba2PrCu3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97595500
_cell_length_b 3.97595500
_cell_length_c 11.72950400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,087 | 1,125 | mp-1188615 | -0.651918 | 0 | TmB2Ru | 0 | ['B', 'Ru', 'Tm'] | # generated using pymatgen
data_TmB2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85784700
_cell_length_b 5.28656400
_cell_length_c 6.31439000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_TmB2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28656400
_cell_length_b 5.85784700
_cell_length_c 6.31439000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,088 | 28,823 | mp-21065 | -0.109665 | 0 | SiP2 | 0.015457 | ['Si', 'P'] | # generated using pymatgen
data_SiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74217300
_cell_length_b 5.74217300
_cell_length_c 5.74217300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | 205 | 205 | # generated using pymatgen
data_SiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74217300
_cell_length_b 5.74217300
_cell_length_c 5.74217300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... |
24,089 | 15,236 | mp-18921 | -1.568547 | 2.1839 | NaCoO2 | 0 | ['Co', 'Na', 'O'] | # generated using pymatgen
data_NaCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51386335
_cell_length_b 5.51386335
_cell_length_c 5.51386310
_cell_angle_alpha 30.70722325
_cell_angle_beta 30.70722325
_cell_angle_gamma 30.70722841
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NaCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91987173
_cell_length_b 2.91987173
_cell_length_c 15.74951561
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,090 | 10,093 | mp-11634 | -1.40525 | 1.6327 | KSmGeSe4 | 0 | ['Ge', 'K', 'Se', 'Sm'] | # generated using pymatgen
data_KSmGeSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11327600
_cell_length_b 6.89854000
_cell_length_c 9.15959467
_cell_angle_alpha 72.32913540
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_KSmGeSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89854000
_cell_length_b 7.11327600
_cell_length_c 9.15959467
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.67086460
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,091 | 6,695 | mp-1216850 | -0.309374 | 0 | TiCuNi | 0 | ['Cu', 'Ni', 'Ti'] | # generated using pymatgen
data_TiCuNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53408263
_cell_length_b 4.53408263
_cell_length_c 4.53408263
_cell_angle_alpha 139.51207725
_cell_angle_beta 139.51207725
_cell_angle_gamma 58.59489443
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 107 | 107 | # generated using pymatgen
data_TiCuNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13775000
_cell_length_b 3.13775000
_cell_length_c 7.90826600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,092 | 3,516 | mp-10343 | -0.570126 | 0 | Sc2BC2 | 0 | ['Sc', 'B', 'C'] | # generated using pymatgen
data_Sc2BC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84220838
_cell_length_b 5.84220838
_cell_length_c 5.84220838
_cell_angle_alpha 146.78094378
_cell_angle_beta 146.78094378
_cell_angle_gamma 47.68824054
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Sc2BC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33996400
_cell_length_b 3.33996400
_cell_length_c 10.68713600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,093 | 22,973 | mp-972416 | 0.004142 | 0 | Tm3Lu | 0.004142 | ['Lu', 'Tm'] | # generated using pymatgen
data_Tm3Lu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10829607
_cell_length_b 7.10829607
_cell_length_c 5.52025800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000070
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Tm3Lu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10829607
_cell_length_b 7.10829607
_cell_length_c 5.52025800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,094 | 32,952 | mp-7831 | -2.271853 | 1.8377 | MgIn2O4 | 0.027011 | ['In', 'Mg', 'O'] | # generated using pymatgen
data_MgIn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40616258
_cell_length_b 6.40616258
_cell_length_c 6.40616258
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_MgIn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05968200
_cell_length_b 9.05968200
_cell_length_c 9.05968200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,095 | 33,855 | mp-33588 | -2.235185 | 1.7201 | Ca2NF | 0.030085 | ['Ca', 'N', 'F'] | # generated using pymatgen
data_Ca2NF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25717662
_cell_length_b 6.25717662
_cell_length_c 6.25717662
_cell_angle_alpha 133.70992475
_cell_angle_beta 133.70992475
_cell_angle_gamma 67.54143117
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_Ca2NF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91889200
_cell_length_b 4.91889200
_cell_length_c 10.40279001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,096 | 18,794 | mp-30404 | -0.585817 | 0 | Li2SbAu | 0 | ['Li', 'Sb', 'Au'] | # generated using pymatgen
data_Li2SbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67850131
_cell_length_b 4.67850131
_cell_length_c 4.67850131
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 216 | 216 | # generated using pymatgen
data_Li2SbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61640000
_cell_length_b 6.61640000
_cell_length_c 6.61640000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,097 | 16,024 | mp-1078298 | -2.024637 | 3.0997 | SbN(OF3)2 | 0 | ['F', 'N', 'O', 'Sb'] | # generated using pymatgen
data_SbN(OF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27500694
_cell_length_b 5.27500694
_cell_length_c 5.61831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 96.56772194
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 65 | 65 | # generated using pymatgen
data_SbN(OF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02040800
_cell_length_b 7.87506600
_cell_length_c 5.61831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,098 | 25,021 | mp-1078582 | -0.450044 | 0 | UInPt | 0.008647 | ['In', 'Pt', 'U'] | # generated using pymatgen
data_UInPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38997468
_cell_length_b 7.38997468
_cell_length_c 4.18528300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000607
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_UInPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38997468
_cell_length_b 7.38997468
_cell_length_c 4.18528300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,099 | 34,077 | mp-1114371 | -2.681623 | 2.9912 | Rb2TlFeF6 | 0.031354 | ['F', 'Fe', 'Rb', 'Tl'] | # generated using pymatgen
data_Rb2TlFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40844400
_cell_length_b 6.40844374
_cell_length_c 6.40844419
_cell_angle_alpha 60.00000441
_cell_angle_beta 60.00000098
_cell_angle_gamma 59.99999865
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Rb2TlFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.06290848
_cell_length_b 9.06290848
_cell_length_c 9.06290848
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
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