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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
23,500 | 38,723 | mp-1224031 | -0.679308 | 0.0308 | In2AgSe3I | 0.047566 | ['Ag', 'I', 'In', 'Se'] | # generated using pymatgen
data_In2AgSe3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26931427
_cell_length_b 8.26931427
_cell_length_c 8.26931464
_cell_angle_alpha 60.46654342
_cell_angle_beta 60.46654342
_cell_angle_gamma 60.46655033
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_In2AgSe3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.32755966
_cell_length_b 8.32755966
_cell_length_c 20.18388716
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
23,501 | 20,492 | mp-984726 | -0.310574 | 0 | Dy(Al2Cu)4 | 0 | ['Al', 'Cu', 'Dy'] | # generated using pymatgen
data_Dy(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73820374
_cell_length_b 6.73820374
_cell_length_c 6.73820374
_cell_angle_alpha 98.36731223
_cell_angle_beta 98.36731223
_cell_angle_gamma 135.15058585
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Dy(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80867200
_cell_length_b 8.80867200
_cell_length_c 5.14083200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,502 | 15,623 | mp-1189962 | -2.303106 | 1.8377 | PrScS3 | 0 | ['Pr', 'S', 'Sc'] | # generated using pymatgen
data_PrScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53540000
_cell_length_b 7.18761300
_cell_length_c 9.62116000
_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_PrScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53540000
_cell_length_b 7.18761300
_cell_length_c 9.62116000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,503 | 45,126 | mp-13357 | -0.380089 | 0 | Yb2MgSi2 | 0.078812 | ['Mg', 'Si', 'Yb'] | # generated using pymatgen
data_Yb2MgSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18398500
_cell_length_b 7.18398500
_cell_length_c 4.50466700
_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_Yb2MgSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18398500
_cell_length_b 7.18398500
_cell_length_c 4.50466700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,504 | 20,407 | mp-753670 | -1.407429 | 2.9706 | CaPbI4 | 0.000317 | ['Ca', 'I', 'Pb'] | # generated using pymatgen
data_CaPbI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.87219487
_cell_length_b 8.87219487
_cell_length_c 8.06402824
_cell_angle_alpha 62.97569956
_cell_angle_beta 62.97569956
_cell_angle_gamma 30.13802874
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_CaPbI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.13421999
_cell_length_b 4.61322800
_cell_length_c 8.06402824
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.06993578
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,505 | 38,016 | mp-1076319 | -2.409668 | 0 | Ca2Fe2O5 | 0.046525 | ['Ca', 'Fe', 'O'] | # generated using pymatgen
data_Ca2Fe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42374899
_cell_length_b 8.42374899
_cell_length_c 8.42374899
_cell_angle_alpha 142.06175019
_cell_angle_beta 140.51340706
_cell_angle_gamma 55.91326807
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 46 | 46 | # generated using pymatgen
data_Ca2Fe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47642400
_cell_length_b 5.69119600
_cell_length_c 14.88144000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,506 | 3,504 | mp-1018098 | -1.411809 | 1.3109 | Ba2BrN | 0 | ['Ba', 'Br', 'N'] | # generated using pymatgen
data_Ba2BrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34226426
_cell_length_b 8.34226426
_cell_length_c 8.34226421
_cell_angle_alpha 29.13036551
_cell_angle_beta 29.13036551
_cell_angle_gamma 29.13036389
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Ba2BrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19584611
_cell_length_b 4.19584611
_cell_length_c 23.94838157
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,507 | 10,597 | mp-1186602 | -0.473142 | 0 | PmNdHg2 | 0 | ['Hg', 'Nd', 'Pm'] | # generated using pymatgen
data_PmNdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41316828
_cell_length_b 5.41316828
_cell_length_c 5.41316828
_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_PmNdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65537600
_cell_length_b 7.65537600
_cell_length_c 7.65537600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,508 | 33,769 | mp-1226528 | -0.467598 | 0 | CeYAl4 | 0.030149 | ['Al', 'Ce', 'Y'] | # generated using pymatgen
data_CeYAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62874817
_cell_length_b 5.62874817
_cell_length_c 5.62874817
_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_CeYAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96025200
_cell_length_b 7.96025200
_cell_length_c 7.96025200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,509 | 44,653 | mp-1177566 | -2.807326 | 0 | Li3Ti2NbO6 | 0.078193 | ['Li', 'Nb', 'O', 'Ti'] | # generated using pymatgen
data_Li3Ti2NbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79469397
_cell_length_b 6.79469397
_cell_length_c 6.10248120
_cell_angle_alpha 73.40320150
_cell_angle_beta 73.40320150
_cell_angle_gamma 24.91551918
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li3Ti2NbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.26942999
_cell_length_b 2.93150000
_cell_length_c 6.10248120
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.00901474
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
23,510 | 30,643 | mp-1189480 | -0.445522 | 0 | U3Sn4Pt3 | 0.020872 | ['Pt', 'Sn', 'U'] | # generated using pymatgen
data_U3Sn4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44613272
_cell_length_b 8.44613272
_cell_length_c 8.44613272
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 220 | 220 | # generated using pymatgen
data_U3Sn4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.75275400
_cell_length_b 9.75275400
_cell_length_c 9.75275400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,511 | 1,626 | mp-1205775 | -1.506709 | 0 | La4B2N5 | 0 | ['B', 'La', 'N'] | # generated using pymatgen
data_La4B2N5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58228933
_cell_length_b 6.58228933
_cell_length_c 9.18991668
_cell_angle_alpha 52.31496290
_cell_angle_beta 52.31496290
_cell_angle_gamma 32.51355442
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_La4B2N5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.63821600
_cell_length_b 3.68532600
_cell_length_c 9.18991668
_cell_angle_alpha 90.00000000
_cell_angle_beta 129.55220071
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,512 | 44,383 | mp-753897 | -2.307229 | 1.5281 | Li2Nb2Fe3O10 | 0.075317 | ['Fe', 'Li', 'Nb', 'O'] | # generated using pymatgen
data_Li2Nb2Fe3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20176400
_cell_length_b 5.35120946
_cell_length_c 8.07211996
_cell_angle_alpha 73.14962089
_cell_angle_beta 71.66009384
_cell_angle_gamma 78.22046693
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 1 | 1 | # generated using pymatgen
data_Li2Nb2Fe3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20176400
_cell_length_b 5.35120946
_cell_length_c 8.07211996
_cell_angle_alpha 73.14962089
_cell_angle_beta 71.66009384
_cell_angle_gamma 78.22046693
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
23,513 | 28,948 | mp-849241 | -1.482013 | 0 | LiNiO2 | 0.015864 | ['Li', 'Ni', 'O'] | # generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02038948
_cell_length_b 5.80254222
_cell_length_c 6.49911346
_cell_angle_alpha 102.70390799
_cell_angle_beta 97.42281409
_cell_angle_gamma 106.50559706
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90732118
_cell_length_b 2.90732118
_cell_length_c 14.20917219
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,514 | 42,761 | mp-1228502 | 0.005769 | 0 | Al2SiAg7 | 0.066757 | ['Ag', 'Al', 'Si'] | # generated using pymatgen
data_Al2SiAg7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04513000
_cell_length_b 6.97040300
_cell_length_c 7.01462823
_cell_angle_alpha 88.81538612
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_Al2SiAg7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97040300
_cell_length_b 7.04513000
_cell_length_c 7.01462823
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.18461388
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,515 | 27,144 | mp-1208428 | -0.447665 | 0 | Tb5Ni2Bi | 0.012272 | ['Bi', 'Ni', 'Tb'] | # generated using pymatgen
data_Tb5Ni2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.72545240
_cell_length_b 8.72545240
_cell_length_c 8.72545240
_cell_angle_alpha 127.54203534
_cell_angle_beta 127.54203534
_cell_angle_gamma 77.36809609
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 140 | 140 | # generated using pymatgen
data_Tb5Ni2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71259600
_cell_length_b 7.71259600
_cell_length_c 13.62225400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,516 | 888 | mp-6074 | -3.298298 | 0 | KRb2TiF6 | 0 | ['K', 'Rb', 'Ti', 'F'] | # generated using pymatgen
data_KRb2TiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43930326
_cell_length_b 6.43930326
_cell_length_c 6.43930326
_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_KRb2TiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.10655000
_cell_length_b 9.10655000
_cell_length_c 9.10655000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,517 | 16,837 | mp-30273 | -3.586424 | 4.738 | AcClO | 0 | ['Ac', 'Cl', 'O'] | # generated using pymatgen
data_AcClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27280700
_cell_length_b 4.27280700
_cell_length_c 7.17790200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 129 | 129 | # generated using pymatgen
data_AcClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27280700
_cell_length_b 4.27280700
_cell_length_c 7.17790200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
23,518 | 14,169 | mp-1207809 | -0.274667 | 0 | Y12Co5Bi | 0 | ['Bi', 'Co', 'Y'] | # generated using pymatgen
data_Y12Co5Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38297332
_cell_length_b 8.38297332
_cell_length_c 8.38297332
_cell_angle_alpha 110.74158344
_cell_angle_beta 110.59951875
_cell_angle_gamma 107.09833489
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Y12Co5Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.52747200
_cell_length_b 9.54456800
_cell_length_c 9.96119800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,519 | 38,924 | mp-756288 | -1.501848 | 0 | Li3Cu4SnO8 | 0.048603 | ['Cu', 'Li', 'O', 'Sn'] | # generated using pymatgen
data_Li3Cu4SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24745227
_cell_length_b 6.24745227
_cell_length_c 5.82704495
_cell_angle_alpha 62.74899319
_cell_angle_beta 62.74899319
_cell_angle_gamma 55.47789718
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li3Cu4SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.05895800
_cell_length_b 5.81567600
_cell_length_c 5.82704495
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.15426324
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
23,520 | 28,380 | mp-555949 | -2.023022 | 0 | KEuPdO3 | 0.014041 | ['Eu', 'K', 'O', 'Pd'] | # generated using pymatgen
data_KEuPdO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91814417
_cell_length_b 6.91814417
_cell_length_c 7.62940822
_cell_angle_alpha 75.82414125
_cell_angle_beta 75.82414125
_cell_angle_gamma 33.46870377
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_KEuPdO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.25032201
_cell_length_b 3.98394800
_cell_length_c 7.62940822
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.81678661
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,521 | 4,689 | mp-1223467 | -0.773276 | 0 | La2Ni4Ge3P | 0 | ['Ge', 'La', 'Ni', 'P'] | # generated using pymatgen
data_La2Ni4Ge3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15982600
_cell_length_b 4.15982600
_cell_length_c 9.81708600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 99 | 99 | # generated using pymatgen
data_La2Ni4Ge3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15982600
_cell_length_b 4.15982600
_cell_length_c 9.81708600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,522 | 5,122 | mp-1188364 | -0.429334 | 1.8278 | Tl2Hg3S4 | 0 | ['Hg', 'S', 'Tl'] | # generated using pymatgen
data_Tl2Hg3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94914804
_cell_length_b 6.94914804
_cell_length_c 13.65254408
_cell_angle_alpha 68.33676129
_cell_angle_beta 68.33676129
_cell_angle_gamma 58.24740196
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 15 | 15 | # generated using pymatgen
data_Tl2Hg3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.14114800
_cell_length_b 6.76425600
_cell_length_c 13.65254408
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.99735854
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
23,523 | 42,299 | mp-1519163 | -3.662731 | 0.4306 | SrEuHfZrO6 | 0.063448 | ['Eu', 'Hf', 'O', 'Sr', 'Zr'] | # generated using pymatgen
data_SrEuHfZrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89105594
_cell_length_b 5.89105594
_cell_length_c 5.89105594
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 216 | 216 | # generated using pymatgen
data_SrEuHfZrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33121121
_cell_length_b 8.33121121
_cell_length_c 8.33121121
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,524 | 8,881 | mp-559106 | -1.847088 | 1.7345 | KLi3PbO4 | 0 | ['K', 'Li', 'O', 'Pb'] | # generated using pymatgen
data_KLi3PbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02963200
_cell_length_b 6.02973166
_cell_length_c 7.07761623
_cell_angle_alpha 107.19396895
_cell_angle_beta 107.94179043
_cell_angle_gamma 88.16691995
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_KLi3PbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02963200
_cell_length_b 6.02973166
_cell_length_c 7.07761623
_cell_angle_alpha 107.19396895
_cell_angle_beta 107.94179043
_cell_angle_gamma 88.16691995
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,525 | 41,180 | mp-1215651 | -1.31899 | 0 | Zr3Fe(CuS4)2 | 0.059746 | ['Cu', 'Fe', 'S', 'Zr'] | # generated using pymatgen
data_Zr3Fe(CuS4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18947403
_cell_length_b 7.18947403
_cell_length_c 7.18947513
_cell_angle_alpha 61.15071440
_cell_angle_beta 61.15071440
_cell_angle_gamma 61.15071197
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 166 | 166 | # generated using pymatgen
data_Zr3Fe(CuS4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31415641
_cell_length_b 7.31415641
_cell_length_c 17.45583630
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
23,526 | 40,970 | mp-864772 | -0.431467 | 0 | LiSc2Au | 0.056484 | ['Li', 'Sc', 'Au'] | # generated using pymatgen
data_LiSc2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79571416
_cell_length_b 4.79571416
_cell_length_c 4.79571416
_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_LiSc2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78216401
_cell_length_b 6.78216401
_cell_length_c 6.78216401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,527 | 5,808 | mp-28645 | -0.794883 | 0 | CaNiN | 0 | ['Ca', 'N', 'Ni'] | # generated using pymatgen
data_CaNiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55814900
_cell_length_b 3.55814900
_cell_length_c 7.06902400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 131 | 131 | # generated using pymatgen
data_CaNiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55814900
_cell_length_b 3.55814900
_cell_length_c 7.06902400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
23,528 | 8,316 | mp-312 | -0.445713 | 0 | ThIr5 | 0 | ['Ir', 'Th'] | # generated using pymatgen
data_ThIr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33969070
_cell_length_b 5.33969070
_cell_length_c 4.36614000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000871
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_ThIr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33969070
_cell_length_b 5.33969070
_cell_length_c 4.36614000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,529 | 5,887 | mp-569661 | -0.280154 | 0 | YbInCu4 | 0 | ['Yb', 'In', 'Cu'] | # generated using pymatgen
data_YbInCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07352792
_cell_length_b 5.07352792
_cell_length_c 5.07352792
_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_YbInCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17505199
_cell_length_b 7.17505199
_cell_length_c 7.17505199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,530 | 11,644 | mp-1207113 | -0.729647 | 0 | Rb(PRh)2 | 0 | ['P', 'Rb', 'Rh'] | # generated using pymatgen
data_Rb(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44338580
_cell_length_b 7.44338580
_cell_length_c 7.44338580
_cell_angle_alpha 149.16294577
_cell_angle_beta 149.16294577
_cell_angle_gamma 44.17151334
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Rb(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95791400
_cell_length_b 3.95791400
_cell_length_c 13.79441199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,531 | 23,249 | mp-1226371 | -0.805666 | 0 | Cr2Se3 | 0.004726 | ['Cr', 'Se'] | # generated using pymatgen
data_Cr2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96539300
_cell_length_b 7.29194825
_cell_length_c 8.58159176
_cell_angle_alpha 89.12804790
_cell_angle_beta 104.25827969
_cell_angle_gamma 106.21288993
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_Cr2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96539300
_cell_length_b 7.29194825
_cell_length_c 8.58159176
_cell_angle_alpha 89.12804790
_cell_angle_beta 104.25827969
_cell_angle_gamma 106.21288993
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,532 | 28,244 | mp-1224870 | -0.026902 | 0 | Ga5Ag13 | 0.014018 | ['Ag', 'Ga'] | # generated using pymatgen
data_Ga5Ag13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97430100
_cell_length_b 7.89883288
_cell_length_c 13.48197521
_cell_angle_alpha 89.94923941
_cell_angle_beta 89.93383051
_cell_angle_gamma 89.70055131
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_Ga5Ag13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97430100
_cell_length_b 7.89883288
_cell_length_c 13.48197521
_cell_angle_alpha 89.94923941
_cell_angle_beta 89.93383051
_cell_angle_gamma 89.70055131
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,533 | 10,181 | mp-1222104 | -0.38975 | 0 | Mn4Co4Si3Ge | 0 | ['Co', 'Ge', 'Mn', 'Si'] | # generated using pymatgen
data_Mn4Co4Si3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68315000
_cell_length_b 5.76509300
_cell_length_c 6.92043148
_cell_angle_alpha 89.68515621
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 6 | 6 | # generated using pymatgen
data_Mn4Co4Si3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76509300
_cell_length_b 3.68315000
_cell_length_c 6.92043148
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.31484379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
23,534 | 44,849 | mp-558183 | -0.803055 | 0.5425 | MoS2N2Cl5 | 0.07794 | ['Cl', 'Mo', 'N', 'S'] | # generated using pymatgen
data_MoS2N2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34769600
_cell_length_b 7.68337531
_cell_length_c 10.20051715
_cell_angle_alpha 75.16119574
_cell_angle_beta 81.33174351
_cell_angle_gamma 84.61792034
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_MoS2N2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34769600
_cell_length_b 7.68337531
_cell_length_c 10.20051715
_cell_angle_alpha 75.16119574
_cell_angle_beta 81.33174351
_cell_angle_gamma 84.61792034
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,535 | 13,269 | mp-21422 | -0.309072 | 0 | YCoC | 0 | ['Y', 'Co', 'C'] | # generated using pymatgen
data_YCoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62692200
_cell_length_b 3.62692200
_cell_length_c 6.94827900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YC... | 131 | 131 | # generated using pymatgen
data_YCoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62692200
_cell_length_b 3.62692200
_cell_length_c 6.94827900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YC... |
23,536 | 15,423 | mp-8382 | -3.405152 | 0.1687 | CePO4 | 0 | ['Ce', 'O', 'P'] | # generated using pymatgen
data_CePO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19048107
_cell_length_b 7.19048107
_cell_length_c 6.48746000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999141
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 180 | 180 | # generated using pymatgen
data_CePO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19048107
_cell_length_b 7.19048107
_cell_length_c 6.48746000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,537 | 43,209 | mp-1222432 | -0.494423 | 0 | Li3MnAs2 | 0.070351 | ['As', 'Li', 'Mn'] | # generated using pymatgen
data_Li3MnAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22582900
_cell_length_b 4.22582900
_cell_length_c 6.01789500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 115 | 115 | # generated using pymatgen
data_Li3MnAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22582900
_cell_length_b 4.22582900
_cell_length_c 6.01789500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,538 | 24,334 | mp-22330 | -2.010432 | 3.0073 | TlVO3 | 0.006314 | ['O', 'Tl', 'V'] | # generated using pymatgen
data_TlVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30566900
_cell_length_b 5.92083600
_cell_length_c 11.35166200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 57 | 57 | # generated using pymatgen
data_TlVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30566900
_cell_length_b 5.92083600
_cell_length_c 11.35166200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,539 | 13,700 | mp-1232234 | -2.063148 | 0 | PmSe | 0 | ['Pm', 'Se'] | # generated using pymatgen
data_PmSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19790346
_cell_length_b 4.19790346
_cell_length_c 4.19790346
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pm... | 225 | 225 | # generated using pymatgen
data_PmSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93673201
_cell_length_b 5.93673201
_cell_length_c 5.93673201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pm... |
23,540 | 10,105 | mp-1184499 | -0.819237 | 0 | GdErIr2 | 0 | ['Er', 'Gd', 'Ir'] | # generated using pymatgen
data_GdErIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85347064
_cell_length_b 4.85347064
_cell_length_c 4.85347064
_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_GdErIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86384400
_cell_length_b 6.86384400
_cell_length_c 6.86384400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,541 | 25,826 | mp-19279 | -2.022098 | 0 | Li2MnO2 | 0.009616 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_Li2MnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22602800
_cell_length_b 3.22602783
_cell_length_c 5.33402600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000179
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Li2MnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22602791
_cell_length_b 3.22602791
_cell_length_c 5.33402600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,542 | 44,084 | mp-1111212 | -1.934381 | 3.7408 | K2RbInCl6 | 0.074851 | ['Cl', 'In', 'K', 'Rb'] | # generated using pymatgen
data_K2RbInCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93983759
_cell_length_b 7.93983759
_cell_length_c 7.93983759
_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_K2RbInCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.22862600
_cell_length_b 11.22862600
_cell_length_c 11.22862600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
23,543 | 40,354 | mp-569544 | -1.05355 | 0 | ZrTe | 0.055074 | ['Zr', 'Te'] | # generated using pymatgen
data_ZrTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75030440
_cell_length_b 3.75030440
_cell_length_c 7.93642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000709
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | 194 | 194 | # generated using pymatgen
data_ZrTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75030440
_cell_length_b 3.75030440
_cell_length_c 7.93642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... |
23,544 | 7,602 | mp-1184393 | -0.524402 | 0 | Gd2IrRu | 0 | ['Gd', 'Ir', 'Ru'] | # generated using pymatgen
data_Gd2IrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87175783
_cell_length_b 4.87175783
_cell_length_c 4.87175783
_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_Gd2IrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88970600
_cell_length_b 6.88970600
_cell_length_c 6.88970600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,545 | 19,190 | mp-1219226 | -0.294462 | 0 | SiNi3W2 | 0 | ['Ni', 'Si', 'W'] | # generated using pymatgen
data_SiNi3W2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75541954
_cell_length_b 4.75541954
_cell_length_c 7.55486800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999367
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_SiNi3W2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75541954
_cell_length_b 4.75541954
_cell_length_c 7.55486800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,546 | 5,861 | mp-546621 | -2.42372 | 1.4237 | ErBi2BrO4 | 0 | ['Er', 'Bi', 'Br', 'O'] | # generated using pymatgen
data_ErBi2BrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89870600
_cell_length_b 3.89870600
_cell_length_c 9.28695900
_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_ErBi2BrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89870600
_cell_length_b 3.89870600
_cell_length_c 9.28695900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,547 | 803 | mp-37014 | -4.146648 | 0 | GdPaO4 | 0 | ['Gd', 'O', 'Pa'] | # generated using pymatgen
data_GdPaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63930764
_cell_length_b 6.63930764
_cell_length_c 6.63930764
_cell_angle_alpha 131.59786421
_cell_angle_beta 131.59786421
_cell_angle_gamma 70.86490300
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_GdPaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44343600
_cell_length_b 5.44343600
_cell_length_c 10.81941000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,548 | 41,904 | mp-755231 | -1.750684 | 2.1355 | LiTeO3 | 0.062609 | ['Li', 'O', 'Te'] | # generated using pymatgen
data_LiTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17812100
_cell_length_b 5.34144800
_cell_length_c 8.96091100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 34 | 34 | # generated using pymatgen
data_LiTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17812100
_cell_length_b 5.34144800
_cell_length_c 8.96091100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,549 | 35,588 | mp-1114451 | -2.430616 | 5.0076 | Rb2NaPrCl6 | 0.036137 | ['Cl', 'Na', 'Pr', 'Rb'] | # generated using pymatgen
data_Rb2NaPrCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79227147
_cell_length_b 7.79227147
_cell_length_c 7.79227147
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Rb2NaPrCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.01993599
_cell_length_b 11.01993599
_cell_length_c 11.01993599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
23,550 | 11,354 | mp-4025 | -0.964494 | 0.3138 | TmNiSb | 0 | ['Tm', 'Ni', 'Sb'] | # generated using pymatgen
data_TmNiSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44901122
_cell_length_b 4.44901122
_cell_length_c 4.44901122
_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_TmNiSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29185201
_cell_length_b 6.29185201
_cell_length_c 6.29185201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,551 | 34,843 | mp-4551 | -3.779994 | 3.7808 | SrHfO3 | 0.032958 | ['Sr', 'Hf', 'O'] | # generated using pymatgen
data_SrHfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14120600
_cell_length_b 4.14120600
_cell_length_c 4.14120600
_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_SrHfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14120600
_cell_length_b 4.14120600
_cell_length_c 4.14120600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,552 | 39,222 | mp-1222012 | -0.023687 | 0 | MgBe4Cu | 0.049701 | ['Be', 'Cu', 'Mg'] | # generated using pymatgen
data_MgBe4Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41763830
_cell_length_b 4.41763830
_cell_length_c 4.41763830
_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_MgBe4Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24748400
_cell_length_b 6.24748400
_cell_length_c 6.24748400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,553 | 41,293 | mp-1301543 | -2.521359 | 1.0333 | Mn3(OF2)2 | 0.059468 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78881000
_cell_length_b 7.97296096
_cell_length_c 5.76318307
_cell_angle_alpha 92.71127398
_cell_angle_beta 90.00142449
_cell_angle_gamma 90.00240453
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 4 | 4 | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76318307
_cell_length_b 4.78881000
_cell_length_c 7.97296096
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.71127398
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,554 | 15,261 | mp-21404 | -2.607077 | 2.0686 | NaCoF3 | 0 | ['Co', 'F', 'Na'] | # generated using pymatgen
data_NaCoF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48913900
_cell_length_b 5.66920800
_cell_length_c 7.88250100
_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_NaCoF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48913900
_cell_length_b 5.66920800
_cell_length_c 7.88250100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,555 | 26,646 | mp-1188289 | -1.719234 | 0 | Cs3Re2Cl10O | 0.010858 | ['Cl', 'Cs', 'O', 'Re'] | # generated using pymatgen
data_Cs3Re2Cl10O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.38746756
_cell_length_b 10.38746756
_cell_length_c 10.38746756
_cell_angle_alpha 137.02309131
_cell_angle_beta 137.02309131
_cell_angle_gamma 62.40252362
_symmetry_Int_Tables_number 1
_chemical_formula_str... | 139 | 139 | # generated using pymatgen
data_Cs3Re2Cl10O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61014400
_cell_length_b 7.61014400
_cell_length_c 17.76990000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
23,556 | 80 | mp-1178135 | -3.185753 | 3.9404 | KLuO2 | 0 | ['K', 'Lu', 'O'] | # generated using pymatgen
data_KLuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52930785
_cell_length_b 6.52930785
_cell_length_c 6.52930788
_cell_angle_alpha 30.13248705
_cell_angle_beta 30.13248705
_cell_angle_gamma 30.13248996
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 166 | 166 | # generated using pymatgen
data_KLuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39439985
_cell_length_b 3.39439985
_cell_length_c 18.68477723
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,557 | 9,745 | mp-1728 | -0.768036 | 0 | LuRh2 | 0 | ['Lu', 'Rh'] | # generated using pymatgen
data_LuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29610110
_cell_length_b 5.29610110
_cell_length_c 5.29610110
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 227 | 227 | # generated using pymatgen
data_LuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48981800
_cell_length_b 7.48981800
_cell_length_c 7.48981800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
23,558 | 10,494 | mp-984335 | -0.45951 | 0 | PmErIn2 | 0 | ['Er', 'In', 'Pm'] | # generated using pymatgen
data_PmErIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39263673
_cell_length_b 5.39263673
_cell_length_c 5.39263673
_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_PmErIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62634000
_cell_length_b 7.62634000
_cell_length_c 7.62634000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,559 | 180 | mp-570443 | -0.035824 | 1.9159 | Tl2CN2 | 0 | ['C', 'N', 'Tl'] | # generated using pymatgen
data_Tl2CN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40073800
_cell_length_b 7.08841580
_cell_length_c 10.05892191
_cell_angle_alpha 98.01379146
_cell_angle_beta 97.73385858
_cell_angle_gamma 112.00001485
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_Tl2CN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40073800
_cell_length_b 7.08841580
_cell_length_c 10.05892191
_cell_angle_alpha 98.01379146
_cell_angle_beta 97.73385858
_cell_angle_gamma 112.00001485
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,560 | 22,029 | mp-10861 | 0.002899 | 0 | Hg | 0.002899 | ['Hg'] | # generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55991110
_cell_length_b 5.55991110
_cell_length_c 3.29063600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998934
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
... | 191 | 191 | # generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55991110
_cell_length_b 5.55991110
_cell_length_c 3.29063600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
... |
23,561 | 38,506 | mp-1018715 | 0.036759 | 0 | Hf5Pb | 0.048561 | ['Hf', 'Pb'] | # generated using pymatgen
data_Hf5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19814100
_cell_length_b 3.19814100
_cell_length_c 13.63347800
_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_Hf5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19814100
_cell_length_b 3.19814100
_cell_length_c 13.63347800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,562 | 11,887 | mp-570692 | -0.215182 | 0 | In5B4Ir9 | 0 | ['B', 'In', 'Ir'] | # generated using pymatgen
data_In5B4Ir9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64561971
_cell_length_b 5.64561971
_cell_length_c 10.41326300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999655
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 189 | 189 | # generated using pymatgen
data_In5B4Ir9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64561971
_cell_length_b 5.64561971
_cell_length_c 10.41326300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,563 | 9,835 | mp-3378 | -3.812952 | 4.1772 | SrHfO3 | 0 | ['Sr', 'Hf', 'O'] | # generated using pymatgen
data_SrHfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80058500
_cell_length_b 5.83250100
_cell_length_c 8.21286400
_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_SrHfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80058500
_cell_length_b 5.83250100
_cell_length_c 8.21286400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,564 | 21,964 | mp-898 | -0.420479 | 0 | HoAl3 | 0.001692 | ['Al', 'Ho'] | # generated using pymatgen
data_HoAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.49603728
_cell_length_b 12.49603728
_cell_length_c 12.49603769
_cell_angle_alpha 28.16172366
_cell_angle_beta 28.16172366
_cell_angle_gamma 28.16172483
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_HoAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08034792
_cell_length_b 6.08034792
_cell_length_c 35.97841948
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,565 | 3,354 | mp-5274 | -3.79042 | 3.0087 | ThTi2O6 | 0 | ['Th', 'Ti', 'O'] | # generated using pymatgen
data_ThTi2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34027107
_cell_length_b 5.34027107
_cell_length_c 7.09414119
_cell_angle_alpha 62.83343142
_cell_angle_beta 62.83343142
_cell_angle_gamma 42.22167748
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_ThTi2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.96372201
_cell_length_b 3.84684600
_cell_length_c 7.09414119
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.30289692
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,566 | 39,701 | mp-1220205 | -1.969492 | 0 | Nd5S4 | 0.053334 | ['Nd', 'S'] | # generated using pymatgen
data_Nd5S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.79685565
_cell_length_b 16.79685565
_cell_length_c 16.79685645
_cell_angle_alpha 13.75226334
_cell_angle_beta 13.75226334
_cell_angle_gamma 13.75226063
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Nd5S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02194844
_cell_length_b 4.02194844
_cell_length_c 49.90672406
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,567 | 39,630 | mp-1185966 | 0.024706 | 0 | MgSc3 | 0.053782 | ['Mg', 'Sc'] | # generated using pymatgen
data_MgSc3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26158435
_cell_length_b 3.26158435
_cell_length_c 10.62316000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000702
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_MgSc3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26158435
_cell_length_b 3.26158435
_cell_length_c 10.62316000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,568 | 42,737 | mp-1224941 | 0.063711 | 0 | FeMo2 | 0.066171 | ['Fe', 'Mo'] | # generated using pymatgen
data_FeMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78931941
_cell_length_b 6.63294400
_cell_length_c 2.66375310
_cell_angle_alpha 81.87111784
_cell_angle_beta 75.27374355
_cell_angle_gamma 22.85513861
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 69 | 69 | # generated using pymatgen
data_FeMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16122400
_cell_length_b 4.28823800
_cell_length_c 12.88372800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,569 | 43,682 | mp-1218149 | -2.478445 | 0.1317 | SrNbNO2 | 0.071214 | ['N', 'Nb', 'O', 'Sr'] | # generated using pymatgen
data_SrNbNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08386600
_cell_length_b 4.08386600
_cell_length_c 4.10858700
_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_SrNbNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08386600
_cell_length_b 4.08386600
_cell_length_c 4.10858700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,570 | 16,207 | mp-1552 | -0.113182 | 0 | Mo2C | 0 | ['Mo', 'C'] | # generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75410500
_cell_length_b 5.24148100
_cell_length_c 6.07648500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo... | 60 | 60 | # generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75410500
_cell_length_b 5.24148100
_cell_length_c 6.07648500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo... |
23,571 | 37,723 | mp-1221716 | -1.81293 | 0 | Mn4CdO5 | 0.043373 | ['Cd', 'Mn', 'O'] | # generated using pymatgen
data_Mn4CdO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.62628758
_cell_length_b 11.62628758
_cell_length_c 11.62628758
_cell_angle_alpha 163.95626979
_cell_angle_beta 163.95626979
_cell_angle_gamma 22.76464762
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 139 | 139 | # generated using pymatgen
data_Mn4CdO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24492000
_cell_length_b 3.24492000
_cell_length_c 22.79524599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,572 | 26,953 | mp-865899 | -0.342248 | 0 | Ti3Os | 0.011282 | ['Ti', 'Os'] | # generated using pymatgen
data_Ti3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46437240
_cell_length_b 4.46437240
_cell_length_c 4.46437240
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 225 | 225 | # generated using pymatgen
data_Ti3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31357600
_cell_length_b 6.31357600
_cell_length_c 6.31357600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
23,573 | 31,750 | mp-1226480 | -0.435702 | 0 | CeUSi4 | 0.023346 | ['Ce', 'Si', 'U'] | # generated using pymatgen
data_CeUSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63693668
_cell_length_b 7.63693668
_cell_length_c 7.63693668
_cell_angle_alpha 149.68824854
_cell_angle_beta 149.68824854
_cell_angle_gamma 43.39921322
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 119 | 119 | # generated using pymatgen
data_CeUSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99329200
_cell_length_b 3.99329200
_cell_length_c 14.19149201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,574 | 27,413 | mp-754140 | -2.294999 | 4.1419 | CaSeO3 | 0.011928 | ['Ca', 'O', 'Se'] | # generated using pymatgen
data_CaSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46070000
_cell_length_b 6.49213200
_cell_length_c 8.44653700
_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_CaSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46070000
_cell_length_b 6.49213200
_cell_length_c 8.44653700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,575 | 1,033 | mp-1078991 | -1.206574 | 0 | ErTe3 | 0 | ['Er', 'Te'] | # generated using pymatgen
data_ErTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.11046736
_cell_length_b 13.11046736
_cell_length_c 4.34013600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 160.95687836
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_ErTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33743400
_cell_length_b 25.85970000
_cell_length_c 4.34013600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,576 | 15,877 | mp-567338 | -1.020585 | 0 | Pr(SiPt)2 | 0 | ['Pr', 'Pt', 'Si'] | # generated using pymatgen
data_Pr(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84613634
_cell_length_b 5.84613634
_cell_length_c 5.84613634
_cell_angle_alpha 137.20139852
_cell_angle_beta 137.20139852
_cell_angle_gamma 62.12832225
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Pr(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26610600
_cell_length_b 4.26610600
_cell_length_c 10.01548399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,577 | 28,156 | mp-1210585 | -0.197826 | 0 | Mg(ZnSb)2 | 0.014724 | ['Mg', 'Sb', 'Zn'] | # generated using pymatgen
data_Mg(ZnSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38520841
_cell_length_b 4.38520841
_cell_length_c 7.23605000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000616
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Mg(ZnSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38520841
_cell_length_b 4.38520841
_cell_length_c 7.23605000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,578 | 29,842 | mp-21141 | -0.079751 | 0 | Fe2CuGe2 | 0.017971 | ['Fe', 'Cu', 'Ge'] | # generated using pymatgen
data_Fe2CuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97058400
_cell_length_b 4.95446500
_cell_length_c 6.77867400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 51 | 51 | # generated using pymatgen
data_Fe2CuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97058400
_cell_length_b 4.95446500
_cell_length_c 6.77867400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,579 | 35,454 | mp-759825 | -2.180651 | 2.5866 | BiOF | 0.035304 | ['Bi', 'F', 'O'] | # generated using pymatgen
data_BiOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98287900
_cell_length_b 5.93697900
_cell_length_c 8.20815100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi... | 62 | 62 | # generated using pymatgen
data_BiOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98287900
_cell_length_b 5.93697900
_cell_length_c 8.20815100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi... |
23,580 | 27,166 | mp-1216831 | -0.59652 | 0 | U2Si5Ru2Rh | 0.012272 | ['Rh', 'Ru', 'Si', 'U'] | # generated using pymatgen
data_U2Si5Ru2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13006240
_cell_length_b 8.13006240
_cell_length_c 5.64648216
_cell_angle_alpha 70.80058198
_cell_angle_beta 70.80058198
_cell_angle_gamma 92.85187660
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 15 | 15 | # generated using pymatgen
data_U2Si5Ru2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.20796799
_cell_length_b 11.78020000
_cell_length_c 5.64648216
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.49579226
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
23,581 | 4,217 | mp-1229133 | -2.492584 | 5.1985 | CsPHO3F | 0 | ['Cs', 'F', 'H', 'O', 'P'] | # generated using pymatgen
data_CsPHO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52092307
_cell_length_b 6.01496820
_cell_length_c 8.15725991
_cell_angle_alpha 66.34130691
_cell_angle_beta 99.04090869
_cell_angle_gamma 91.29513625
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_CsPHO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52092307
_cell_length_b 6.01496820
_cell_length_c 7.95875978
_cell_angle_alpha 110.14950358
_cell_angle_beta 98.27802434
_cell_angle_gamma 91.29513625
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,582 | 13,150 | mp-1206051 | -0.58614 | 0 | NdAl2Ni | 0 | ['Al', 'Nd', 'Ni'] | # generated using pymatgen
data_NdAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82519429
_cell_length_b 5.82519429
_cell_length_c 6.90388300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 139.02728078
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_NdAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07745400
_cell_length_b 10.91356600
_cell_length_c 6.90388300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,583 | 4,551 | mp-1091363 | -2.840184 | 1.7315 | K2TcF6 | 0 | ['F', 'K', 'Tc'] | # generated using pymatgen
data_K2TcF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91505707
_cell_length_b 5.91505707
_cell_length_c 4.70815200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001200
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_K2TcF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91505707
_cell_length_b 5.91505707
_cell_length_c 4.70815200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,584 | 1,979 | mp-972071 | -0.067068 | 0 | V3Mo | 0 | ['V', 'Mo'] | # generated using pymatgen
data_V3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29538520
_cell_length_b 4.29538520
_cell_length_c 4.29538520
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V3... | 225 | 225 | # generated using pymatgen
data_V3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07459201
_cell_length_b 6.07459201
_cell_length_c 6.07459201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V3... |
23,585 | 26,619 | mp-1186227 | -1.04389 | 0 | Nb3CoSe6 | 0.011008 | ['Co', 'Nb', 'Se'] | # generated using pymatgen
data_Nb3CoSe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07761973
_cell_length_b 6.07761973
_cell_length_c 12.34613700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999703
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 182 | 182 | # generated using pymatgen
data_Nb3CoSe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07761973
_cell_length_b 6.07761973
_cell_length_c 12.34613700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,586 | 33,815 | mp-1518526 | -3.577085 | 2.3507 | Sr2ZrTiO6 | 0.030163 | ['O', 'Sr', 'Ti', 'Zr'] | # generated using pymatgen
data_Sr2ZrTiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74917902
_cell_length_b 5.74917902
_cell_length_c 5.74917902
_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_Sr2ZrTiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13056694
_cell_length_b 8.13056694
_cell_length_c 8.13056694
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,587 | 38,656 | mp-1212439 | -0.46669 | 0 | Hf5Al3C | 0.048484 | ['Al', 'C', 'Hf'] | # generated using pymatgen
data_Hf5Al3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15875740
_cell_length_b 8.15875740
_cell_length_c 5.68805500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999515
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Hf5Al3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15875740
_cell_length_b 8.15875740
_cell_length_c 5.68805500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,588 | 28,365 | mp-39681 | -2.832853 | 2.751 | NaTi2BiO6 | 0.013837 | ['Na', 'Ti', 'Bi', 'O'] | # generated using pymatgen
data_NaTi2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60510025
_cell_length_b 5.60510025
_cell_length_c 5.60510016
_cell_angle_alpha 58.92548684
_cell_angle_beta 58.92548684
_cell_angle_gamma 58.92547190
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 146 | 146 | # generated using pymatgen
data_NaTi2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51382062
_cell_length_b 5.51382062
_cell_length_c 13.84007501
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
23,589 | 44,386 | mp-754310 | -2.166312 | 0 | Fe5(OF2)4 | 0.075075 | ['F', 'Fe', 'O'] | # generated using pymatgen
data_Fe5(OF2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67640571
_cell_length_b 4.67640571
_cell_length_c 8.93748900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 93.68723299
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 65 | 65 | # generated using pymatgen
data_Fe5(OF2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39724799
_cell_length_b 6.82277799
_cell_length_c 8.93748900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,590 | 27,039 | mp-1102597 | -0.251702 | 0 | SmCo4B | 0.011687 | ['B', 'Co', 'Sm'] | # generated using pymatgen
data_SmCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05481234
_cell_length_b 5.05390781
_cell_length_c 6.82150400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00593091
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_SmCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05436007
_cell_length_b 5.05436007
_cell_length_c 6.82150400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,591 | 32,324 | mp-19946 | -0.323646 | 0 | YInCu2 | 0.024966 | ['Y', 'In', 'Cu'] | # generated using pymatgen
data_YInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69790149
_cell_length_b 4.69790149
_cell_length_c 4.69790149
_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_YInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64383600
_cell_length_b 6.64383600
_cell_length_c 6.64383600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,592 | 32,903 | mp-685977 | -1.940954 | 0.9122 | Gd5AgSe8 | 0.026501 | ['Ag', 'Gd', 'Se'] | # generated using pymatgen
data_Gd5AgSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61331895
_cell_length_b 7.61331895
_cell_length_c 7.61331895
_cell_angle_alpha 109.76909722
_cell_angle_beta 109.76909722
_cell_angle_gamma 108.87709608
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 82 | 82 | # generated using pymatgen
data_Gd5AgSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75875600
_cell_length_b 8.75875600
_cell_length_c 8.85544400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,593 | 1,232 | mp-1225527 | -0.286963 | 0 | Eu2(ZnNi)5 | 0 | ['Eu', 'Ni', 'Zn'] | # generated using pymatgen
data_Eu2(ZnNi)5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99184700
_cell_length_b 5.33534300
_cell_length_c 9.02892500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 47 | 47 | # generated using pymatgen
data_Eu2(ZnNi)5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99184700
_cell_length_b 5.33534300
_cell_length_c 9.02892500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
23,594 | 37,742 | mp-1223935 | -0.836974 | 0 | Ho2Si3Pd | 0.04528 | ['Ho', 'Pd', 'Si'] | # generated using pymatgen
data_Ho2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00236900
_cell_length_b 4.11914655
_cell_length_c 7.05896235
_cell_angle_alpha 89.99305637
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 25 | 25 | # generated using pymatgen
data_Ho2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00236900
_cell_length_b 4.11914655
_cell_length_c 7.05896235
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,595 | 18,496 | mp-9958 | -0.809401 | 0 | Ti2GeC | 0 | ['Ti', 'Ge', 'C'] | # generated using pymatgen
data_Ti2GeC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08635986
_cell_length_b 3.08635986
_cell_length_c 13.04986700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999693
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Ti2GeC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08635986
_cell_length_b 3.08635986
_cell_length_c 13.04986700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23,596 | 4,418 | mp-7611 | -2.604261 | 4.3747 | Li2CaGeO4 | 0 | ['Ca', 'Ge', 'Li', 'O'] | # generated using pymatgen
data_Li2CaGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99718008
_cell_length_b 4.99718008
_cell_length_c 4.99718008
_cell_angle_alpha 117.84450563
_cell_angle_beta 117.84450563
_cell_angle_gamma 93.77581814
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 121 | 121 | # generated using pymatgen
data_Li2CaGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15909600
_cell_length_b 5.15909600
_cell_length_c 6.83042400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,597 | 18,824 | mp-510696 | -0.365201 | 0 | Cs4Sn2Au7 | 0 | ['Au', 'Cs', 'Sn'] | # generated using pymatgen
data_Cs4Sn2Au7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.86849178
_cell_length_b 10.86849178
_cell_length_c 10.86849208
_cell_angle_alpha 37.71051429
_cell_angle_beta 37.71051429
_cell_angle_gamma 37.71051429
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 166 | 166 | # generated using pymatgen
data_Cs4Sn2Au7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02492605
_cell_length_b 7.02492605
_cell_length_c 30.25009559
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
23,598 | 14,860 | mp-5260 | -0.643034 | 0 | Ho(GeRu)2 | 0 | ['Ho', 'Ge', 'Ru'] | # generated using pymatgen
data_Ho(GeRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77104613
_cell_length_b 5.77104613
_cell_length_c 5.77104613
_cell_angle_alpha 136.57391775
_cell_angle_beta 136.57391775
_cell_angle_gamma 63.09428642
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Ho(GeRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27009200
_cell_length_b 4.27009200
_cell_length_c 9.83628600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
23,599 | 42,366 | mp-752749 | -1.361668 | 0 | NaCo3O4 | 0.064796 | ['Co', 'Na', 'O'] | # generated using pymatgen
data_NaCo3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36149700
_cell_length_b 5.71879800
_cell_length_c 6.76434300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 31 | 31 | # generated using pymatgen
data_NaCo3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36149700
_cell_length_b 5.71879800
_cell_length_c 6.76434300
_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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