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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
27,100 | 1,768 | mp-20444 | -0.614579 | 0 | GdIn2Rh | 0 | ['Gd', 'In', 'Rh'] | # generated using pymatgen
data_GdIn2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53306009
_cell_length_b 5.53306009
_cell_length_c 8.03055600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.26394849
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_GdIn2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38921800
_cell_length_b 10.15843399
_cell_length_c 8.03055600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,101 | 4,889 | mp-567210 | -0.706614 | 0 | TbInAu2 | 0 | ['Tb', 'In', 'Au'] | # generated using pymatgen
data_TbInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96198890
_cell_length_b 4.96198890
_cell_length_c 4.96198890
_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_TbInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01731200
_cell_length_b 7.01731200
_cell_length_c 7.01731200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,102 | 34,988 | mp-998744 | -1.253065 | 2.4098 | TlGeCl3 | 0.032765 | ['Cl', 'Ge', 'Tl'] | # generated using pymatgen
data_TlGeCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32810371
_cell_length_b 5.32810371
_cell_length_c 5.32192970
_cell_angle_alpha 89.22621218
_cell_angle_beta 89.22621218
_cell_angle_gamma 89.16190864
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_TlGeCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58998400
_cell_length_b 7.47976600
_cell_length_c 5.32192970
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.08641691
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,103 | 35,599 | mp-1174519 | -2.138699 | 0.0046 | Li5Mn3O8 | 0.036353 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_Li5Mn3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88015006
_cell_length_b 5.88015006
_cell_length_c 5.16563589
_cell_angle_alpha 71.56786123
_cell_angle_beta 71.56786123
_cell_angle_gamma 58.54965346
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Li5Mn3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25832400
_cell_length_b 5.75077800
_cell_length_c 5.16563589
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.25227380
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,104 | 12,918 | mp-861656 | -0.56137 | 0 | Ti2CrIr | 0 | ['Ti', 'Cr', 'Ir'] | # generated using pymatgen
data_Ti2CrIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34079559
_cell_length_b 4.34079559
_cell_length_c 4.34079559
_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_Ti2CrIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13881199
_cell_length_b 6.13881199
_cell_length_c 6.13881199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,105 | 36,015 | mp-10429 | -3.883507 | 4.3316 | LaYO3 | 0.039025 | ['La', 'O', 'Y'] | # generated using pymatgen
data_LaYO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91593300
_cell_length_b 6.12355700
_cell_length_c 8.61089700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 62 | 62 | # generated using pymatgen
data_LaYO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91593300
_cell_length_b 6.12355700
_cell_length_c 8.61089700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
27,106 | 23,313 | mp-21857 | -2.225517 | 0 | Cs(WO3)2 | 0.004995 | ['Cs', 'O', 'W'] | # generated using pymatgen
data_Cs(WO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44280516
_cell_length_b 7.44280516
_cell_length_c 7.44280516
_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_Cs(WO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.52571600
_cell_length_b 10.52571600
_cell_length_c 10.52571600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,107 | 36,265 | mp-1228788 | -0.370374 | 0 | Al4Ni12C | 0.038186 | ['Al', 'C', 'Ni'] | # generated using pymatgen
data_Al4Ni12C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67037900
_cell_length_b 3.67037900
_cell_length_c 14.04846100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 123 | 123 | # generated using pymatgen
data_Al4Ni12C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67037900
_cell_length_b 3.67037900
_cell_length_c 14.04846100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,108 | 35,742 | mp-1222780 | 0.035876 | 0 | LaY | 0.035876 | ['La', 'Y'] | # generated using pymatgen
data_LaY
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.85438954
_cell_length_b 17.85438954
_cell_length_c 17.85438913
_cell_angle_alpha 11.85217895
_cell_angle_beta 11.85217895
_cell_angle_gamma 11.85218099
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_LaY
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68676966
_cell_length_b 3.68676966
_cell_length_c 53.18116377
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
27,109 | 17,395 | mp-616501 | -1.170033 | 0 | InCu6ClO8 | 0 | ['Cl', 'Cu', 'In', 'O'] | # generated using pymatgen
data_InCu6ClO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52287338
_cell_length_b 6.52287338
_cell_length_c 6.52287338
_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_InCu6ClO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.22473600
_cell_length_b 9.22473600
_cell_length_c 9.22473600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,110 | 28,703 | mp-1218572 | -3.619344 | 2.604 | Sr4Zr3TiO12 | 0.015403 | ['O', 'Sr', 'Ti', 'Zr'] | # generated using pymatgen
data_Sr4Zr3TiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79640100
_cell_length_b 5.82518929
_cell_length_c 8.20686378
_cell_angle_alpha 89.99998516
_cell_angle_beta 89.97495755
_cell_angle_gamma 89.98202004
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Sr4Zr3TiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79640100
_cell_length_b 5.82518929
_cell_length_c 8.20686378
_cell_angle_alpha 89.99998516
_cell_angle_beta 89.97495755
_cell_angle_gamma 89.98202004
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,111 | 14,731 | mp-14128 | -3.733482 | 6.4674 | K2HfF6 | 0 | ['F', 'Hf', 'K'] | # generated using pymatgen
data_K2HfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71594548
_cell_length_b 6.71594548
_cell_length_c 6.96574223
_cell_angle_alpha 89.94474395
_cell_angle_beta 89.94474395
_cell_angle_gamma 120.67860419
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_K2HfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64694201
_cell_length_b 11.67192601
_cell_length_c 6.96574223
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.11165941
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,112 | 15,529 | mp-10690 | -0.485626 | 0 | EuCoGe3 | 0 | ['Co', 'Eu', 'Ge'] | # generated using pymatgen
data_EuCoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84696802
_cell_length_b 5.84696802
_cell_length_c 5.84696802
_cell_angle_alpha 136.41681955
_cell_angle_beta 136.41681955
_cell_angle_gamma 63.33657978
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_EuCoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34115800
_cell_length_b 4.34115800
_cell_length_c 9.95273000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,113 | 26,586 | mp-1183818 | -0.393539 | 0 | DyLuRu2 | 0.010864 | ['Dy', 'Lu', 'Ru'] | # generated using pymatgen
data_DyLuRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76304158
_cell_length_b 4.76304158
_cell_length_c 4.76304158
_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_DyLuRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73595800
_cell_length_b 6.73595800
_cell_length_c 6.73595800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,114 | 32,467 | mp-974744 | -0.293195 | 0 | NdZn2Ag | 0.024455 | ['Ag', 'Nd', 'Zn'] | # generated using pymatgen
data_NdZn2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84477747
_cell_length_b 4.84477747
_cell_length_c 4.84477747
_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_NdZn2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85155000
_cell_length_b 6.85155000
_cell_length_c 6.85155000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,115 | 2,940 | mp-862844 | -0.264985 | 0 | PaAl3 | 0 | ['Pa', 'Al'] | # generated using pymatgen
data_PaAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29391724
_cell_length_b 6.29391724
_cell_length_c 4.58135400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999201
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_PaAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29391724
_cell_length_b 6.29391724
_cell_length_c 4.58135400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,116 | 6,095 | mp-1109 | -0.266729 | 0 | Sr5Al9 | 0 | ['Al', 'Sr'] | # generated using pymatgen
data_Sr5Al9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.38318165
_cell_length_b 12.38318165
_cell_length_c 12.38318275
_cell_angle_alpha 27.40278658
_cell_angle_beta 27.40278658
_cell_angle_gamma 27.40278329
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Sr5Al9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86620447
_cell_length_b 5.86620447
_cell_length_c 35.73306174
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,117 | 12,333 | mp-4240 | -1.556492 | 0 | RbCeTe2 | 0 | ['Ce', 'Rb', 'Te'] | # generated using pymatgen
data_RbCeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.95883409
_cell_length_b 8.95883409
_cell_length_c 8.95883410
_cell_angle_alpha 30.43231335
_cell_angle_beta 30.43231335
_cell_angle_gamma 30.43231129
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_RbCeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70269416
_cell_length_b 4.70269416
_cell_length_c 25.61250430
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,118 | 392 | mp-621362 | -0.729407 | 0 | NdInAu | 0 | ['Au', 'In', 'Nd'] | # generated using pymatgen
data_NdInAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84130000
_cell_length_b 7.84130000
_cell_length_c 4.22161200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000001
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_NdInAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84130000
_cell_length_b 7.84130000
_cell_length_c 4.22161200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,119 | 15,533 | mp-1071890 | -0.789158 | 0 | NdInPt4 | 0 | ['In', 'Nd', 'Pt'] | # generated using pymatgen
data_NdInPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45819826
_cell_length_b 5.45819826
_cell_length_c 5.45819826
_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_NdInPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71905801
_cell_length_b 7.71905801
_cell_length_c 7.71905801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,120 | 25,863 | mp-28283 | -2.057188 | 0 | CsTiCl3 | 0.009525 | ['Cs', 'Ti', 'Cl'] | # generated using pymatgen
data_CsTiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65643680
_cell_length_b 7.65643680
_cell_length_c 5.67208100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CsTiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65643680
_cell_length_b 7.65643680
_cell_length_c 5.67208100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,121 | 1,023 | mp-1077290 | -0.351132 | 0 | ErCu4Au | 0 | ['Au', 'Cu', 'Er'] | # generated using pymatgen
data_ErCu4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01476877
_cell_length_b 5.01476877
_cell_length_c 5.01476877
_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_ErCu4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09195401
_cell_length_b 7.09195401
_cell_length_c 7.09195401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,122 | 24,497 | mp-9889 | -0.89711 | 1.9484 | GaS | 0.006131 | ['Ga', 'S'] | # generated using pymatgen
data_GaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.94945453
_cell_length_b 8.94945453
_cell_length_c 8.94945391
_cell_angle_alpha 23.44788308
_cell_angle_beta 23.44788308
_cell_angle_gamma 23.44787746
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaS... | 166 | 166 | # generated using pymatgen
data_GaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63699437
_cell_length_b 3.63699437
_cell_length_c 26.09887751
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
27,123 | 13,661 | mp-1213022 | -2.596619 | 0.9962 | ErRhO3 | 0 | ['Er', 'O', 'Rh'] | # generated using pymatgen
data_ErRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27961400
_cell_length_b 5.76799500
_cell_length_c 7.64664200
_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_ErRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27961400
_cell_length_b 5.76799500
_cell_length_c 7.64664200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,124 | 6,101 | mp-1120781 | -0.576998 | 0 | Ni3Se4 | 0 | ['Ni', 'Se'] | # generated using pymatgen
data_Ni3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06502063
_cell_length_b 7.06502063
_cell_length_c 7.06502063
_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_Ni3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.99144799
_cell_length_b 9.99144799
_cell_length_c 9.99144799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,125 | 32,761 | mp-1226226 | -0.207268 | 0 | CrRe5B2 | 0.026635 | ['B', 'Cr', 'Re'] | # generated using pymatgen
data_CrRe5B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88769755
_cell_length_b 4.88769755
_cell_length_c 7.21217200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 145.37005165
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_CrRe5B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90939600
_cell_length_b 9.33240399
_cell_length_c 7.21217200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,126 | 13,232 | mp-1585 | -0.196219 | 0 | V3Co | 0 | ['V', 'Co'] | # generated using pymatgen
data_V3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65211100
_cell_length_b 4.65211100
_cell_length_c 4.65211100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V3... | 223 | 223 | # generated using pymatgen
data_V3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65211100
_cell_length_b 4.65211100
_cell_length_c 4.65211100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V3... |
27,127 | 4,096 | mp-1180659 | -0.800936 | 0.7749 | KSe3 | 0 | ['K', 'Se'] | # generated using pymatgen
data_KSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51877385
_cell_length_b 6.51877385
_cell_length_c 8.12006694
_cell_angle_alpha 81.19971892
_cell_angle_beta 81.19971892
_cell_angle_gamma 59.70986882
_symmetry_Int_Tables_number 1
_chemical_formula_structural KS... | 5 | 5 | # generated using pymatgen
data_KSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.30731601
_cell_length_b 6.49016600
_cell_length_c 8.12006694
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.16020565
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,128 | 25,608 | mp-1184860 | -0.058825 | 0 | HoMg2 | 0.009116 | ['Ho', 'Mg'] | # generated using pymatgen
data_HoMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01796237
_cell_length_b 6.01796237
_cell_length_c 6.01796237
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 227 | 227 | # generated using pymatgen
data_HoMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51068400
_cell_length_b 8.51068400
_cell_length_c 8.51068400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
27,129 | 25,383 | mp-570428 | -0.287154 | 0 | Sc3In | 0.008281 | ['Sc', 'In'] | # generated using pymatgen
data_Sc3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53289200
_cell_length_b 4.53289200
_cell_length_c 4.53289200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 221 | 221 | # generated using pymatgen
data_Sc3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53289200
_cell_length_b 4.53289200
_cell_length_c 4.53289200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
27,130 | 30,235 | mp-1224417 | -0.386152 | 0.0711 | Ge2Bi2Te5 | 0.019341 | ['Bi', 'Ge', 'Te'] | # generated using pymatgen
data_Ge2Bi2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.22754432
_cell_length_b 19.22754432
_cell_length_c 19.22754488
_cell_angle_alpha 12.91050565
_cell_angle_beta 12.91050565
_cell_angle_gamma 12.91050420
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 160 | 160 | # generated using pymatgen
data_Ge2Bi2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32339827
_cell_length_b 4.32339827
_cell_length_c 57.19450052
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,131 | 37,856 | mp-568116 | -0.988502 | 3.7614 | Lu2(CN2)3 | 0.045185 | ['C', 'Lu', 'N'] | # generated using pymatgen
data_Lu2(CN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16302851
_cell_length_b 6.16302851
_cell_length_c 6.16302845
_cell_angle_alpha 60.77112448
_cell_angle_beta 60.77112448
_cell_angle_gamma 60.77112589
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 155 | 155 | # generated using pymatgen
data_Lu2(CN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23472192
_cell_length_b 6.23472192
_cell_length_c 15.00769837
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,132 | 11,955 | mp-865529 | -0.640955 | 0 | Ti2NiIr | 0 | ['Ti', 'Ni', 'Ir'] | # generated using pymatgen
data_Ti2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33243052
_cell_length_b 4.33243052
_cell_length_c 4.33243052
_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_Ti2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12698200
_cell_length_b 6.12698200
_cell_length_c 6.12698200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,133 | 26,119 | mp-1189241 | -0.756019 | 0 | GdAs2Au | 0.010305 | ['As', 'Au', 'Gd'] | # generated using pymatgen
data_GdAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.50421900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.13890690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 64 | 64 | # generated using pymatgen
data_GdAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71575401
_cell_length_b 5.72962801
_cell_length_c 20.50421900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,134 | 30,556 | mp-1104538 | -0.10487 | 0 | Tm(FeSn)6 | 0.021206 | ['Fe', 'Sn', 'Tm'] | # generated using pymatgen
data_Tm(FeSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41199598
_cell_length_b 5.41199598
_cell_length_c 8.91623600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999978
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 191 | 191 | # generated using pymatgen
data_Tm(FeSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41199598
_cell_length_b 5.41199598
_cell_length_c 8.91623600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,135 | 32,933 | mp-756354 | -3.712252 | 2.7684 | SrSc2O4 | 0.025978 | ['O', 'Sc', 'Sr'] | # generated using pymatgen
data_SrSc2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50941625
_cell_length_b 5.50941625
_cell_length_c 10.68560000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.12450481
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_SrSc2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21014400
_cell_length_b 10.54085600
_cell_length_c 10.68560000
_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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