Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,900 | 34,440 | mp-758804 | -3.01598 | 0.8218 | V2OF5 | 0.030591 | ['F', 'O', 'V'] | # generated using pymatgen
data_V2OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12848913
_cell_length_b 5.34986306
_cell_length_c 5.12852017
_cell_angle_alpha 118.12942042
_cell_angle_beta 118.98599114
_cell_angle_gamma 91.32534176
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_V2OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83710183
_cell_length_b 5.20690609
_cell_length_c 5.38996367
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.16140306
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,901 | 18,303 | mp-27616 | -2.554998 | 2.9332 | ErSCl | 0 | ['Cl', 'Er', 'S'] | # generated using pymatgen
data_ErSCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95810700
_cell_length_b 5.33123200
_cell_length_c 8.11806200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 59 | 59 | # generated using pymatgen
data_ErSCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95810700
_cell_length_b 5.33123200
_cell_length_c 8.11806200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
24,902 | 29,770 | mp-1221973 | -0.50337 | 0.1161 | MgHg4Te5 | 0.017527 | ['Hg', 'Mg', 'Te'] | # generated using pymatgen
data_MgHg4Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.82767707
_cell_length_b 16.82767707
_cell_length_c 16.82767707
_cell_angle_alpha 163.94168408
_cell_angle_beta 163.94168408
_cell_angle_gamma 22.78548307
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 119 | 119 | # generated using pymatgen
data_MgHg4Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70088000
_cell_length_b 4.70088000
_cell_length_c 32.99221600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,903 | 29,563 | mp-1105176 | -1.342683 | 2.8629 | RbBi2Br7 | 0.01862 | ['Bi', 'Br', 'Rb'] | # generated using pymatgen
data_RbBi2Br7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81959800
_cell_length_b 9.84903813
_cell_length_c 10.70384992
_cell_angle_alpha 75.94300743
_cell_angle_beta 83.93770154
_cell_angle_gamma 76.55232071
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 2 | 2 | # generated using pymatgen
data_RbBi2Br7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81959800
_cell_length_b 9.84903813
_cell_length_c 10.70384992
_cell_angle_alpha 75.94300743
_cell_angle_beta 83.93770154
_cell_angle_gamma 76.55232071
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,904 | 37,571 | mp-1112149 | -1.290907 | 0.7021 | Cs2NaInI6 | 0.045271 | ['Cs', 'I', 'In', 'Na'] | # generated using pymatgen
data_Cs2NaInI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.68443376
_cell_length_b 8.68443376
_cell_length_c 8.68443376
_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_Cs2NaInI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.28164400
_cell_length_b 12.28164400
_cell_length_c 12.28164400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,905 | 22,343 | mp-30498 | -0.27856 | 0 | TbCd3 | 0.003051 | ['Tb', 'Cd'] | # generated using pymatgen
data_TbCd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66790378
_cell_length_b 6.66790378
_cell_length_c 4.99528200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999782
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_TbCd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66790378
_cell_length_b 6.66790378
_cell_length_c 4.99528200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,906 | 39,442 | mp-758951 | -2.336061 | 2.2683 | MnOF | 0.051016 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72463500
_cell_length_b 8.93638600
_cell_length_c 5.45922200
_cell_angle_alpha 90.00328269
_cell_angle_beta 89.99975102
_cell_angle_gamma 89.99846789
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | 62 | 62 | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72463500
_cell_length_b 5.45922200
_cell_length_c 8.93638600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... |
24,907 | 31,430 | mp-754852 | -1.984589 | 3.4274 | BaSrI4 | 0.021852 | ['Ba', 'I', 'Sr'] | # generated using pymatgen
data_BaSrI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.95825354
_cell_length_b 9.95825354
_cell_length_c 9.95825370
_cell_angle_alpha 34.28287297
_cell_angle_beta 34.28287297
_cell_angle_gamma 34.28287522
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_BaSrI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87002183
_cell_length_b 5.87002183
_cell_length_c 28.09145537
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,908 | 32,455 | mp-864886 | -0.655725 | 0 | Dy2NiIr | 0.025302 | ['Dy', 'Ir', 'Ni'] | # generated using pymatgen
data_Dy2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82508737
_cell_length_b 4.82508737
_cell_length_c 4.82508737
_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_Dy2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82370400
_cell_length_b 6.82370400
_cell_length_c 6.82370400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,909 | 7,808 | mp-28321 | -1.358406 | 0 | Sc7CI12 | 0 | ['C', 'I', 'Sc'] | # generated using pymatgen
data_Sc7CI12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.39290685
_cell_length_b 9.39290685
_cell_length_c 9.39290608
_cell_angle_alpha 108.16148496
_cell_angle_beta 108.16148496
_cell_angle_gamma 108.16148394
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 146 | 146 | # generated using pymatgen
data_Sc7CI12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.21358774
_cell_length_b 15.21358774
_cell_length_c 9.98401223
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,910 | 12,600 | mp-1186210 | -0.253493 | 0 | Nb2TcOs | 0 | ['Nb', 'Os', 'Tc'] | # generated using pymatgen
data_Nb2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52211616
_cell_length_b 4.52211616
_cell_length_c 4.52211616
_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_Nb2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39523800
_cell_length_b 6.39523800
_cell_length_c 6.39523800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,911 | 10,138 | mp-1206887 | -0.685885 | 0 | ThCoGe2 | 0 | ['Co', 'Ge', 'Th'] | # generated using pymatgen
data_ThCoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67669967
_cell_length_b 8.67669967
_cell_length_c 4.23151500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.88707684
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_ThCoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21475800
_cell_length_b 16.83378400
_cell_length_c 4.23151500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,912 | 14,196 | mp-1218568 | -2.058937 | 0 | Sr4Co(IrO4)3 | 0 | ['Co', 'Ir', 'O', 'Sr'] | # generated using pymatgen
data_Sr4Co(IrO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60178800
_cell_length_b 5.66269516
_cell_length_c 7.95260959
_cell_angle_alpha 90.31303636
_cell_angle_beta 90.03886910
_cell_angle_gamma 90.13688806
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 2 | 2 | # generated using pymatgen
data_Sr4Co(IrO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60178800
_cell_length_b 5.66269516
_cell_length_c 7.95260959
_cell_angle_alpha 90.31303636
_cell_angle_beta 90.03886910
_cell_angle_gamma 90.13688806
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,913 | 39,690 | mp-1217926 | -0.4108 | 0 | TaSi4Mo | 0.053391 | ['Mo', 'Si', 'Ta'] | # generated using pymatgen
data_TaSi4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.12593500
_cell_length_b 4.71636200
_cell_length_c 4.73417891
_cell_angle_alpha 60.28332063
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 3 | 3 | # generated using pymatgen
data_TaSi4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71636200
_cell_length_b 13.12593500
_cell_length_c 4.73417891
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.71667937
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,914 | 44,814 | mp-1523299 | -2.811173 | 0.4223 | NaSmEuWO6 | 0.078596 | ['Eu', 'Na', 'O', 'Sm', 'W'] | # generated using pymatgen
data_NaSmEuWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97553042
_cell_length_b 5.97553042
_cell_length_c 5.97553042
_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_NaSmEuWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45067616
_cell_length_b 8.45067616
_cell_length_c 8.45067616
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,915 | 43,186 | mp-1219723 | -0.864292 | 0 | PrThCN | 0.070991 | ['C', 'N', 'Pr', 'Th'] | # generated using pymatgen
data_PrThCN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46911144
_cell_length_b 6.46911144
_cell_length_c 6.46911226
_cell_angle_alpha 33.71725416
_cell_angle_beta 33.71725416
_cell_angle_gamma 33.71725730
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_PrThCN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75222995
_cell_length_b 3.75222995
_cell_length_c 18.28679767
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,916 | 36,256 | mp-1226834 | -0.800547 | 0 | Ce2Al3GaPd4 | 0.039098 | ['Al', 'Ce', 'Ga', 'Pd'] | # generated using pymatgen
data_Ce2Al3GaPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29070200
_cell_length_b 4.29070200
_cell_length_c 10.41949200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 115 | 115 | # generated using pymatgen
data_Ce2Al3GaPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29070200
_cell_length_b 4.29070200
_cell_length_c 10.41949200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,917 | 34,424 | mp-755702 | -2.738105 | 0 | Li2TiVO4 | 0.031472 | ['Li', 'O', 'Ti', 'V'] | # generated using pymatgen
data_Li2TiVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17491452
_cell_length_b 5.84201800
_cell_length_c 5.17490756
_cell_angle_alpha 90.00256388
_cell_angle_beta 68.71711030
_cell_angle_gamma 90.00256568
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 119 | 119 | # generated using pymatgen
data_Li2TiVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13061632
_cell_length_b 4.13061632
_cell_length_c 8.54400531
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,918 | 21,857 | mp-556415 | -2.157925 | 0 | LiMnO2 | 0.001945 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_LiMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75779073
_cell_length_b 6.18461864
_cell_length_c 5.75778948
_cell_angle_alpha 62.29337946
_cell_angle_beta 90.06646240
_cell_angle_gamma 62.29226603
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_LiMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75779010
_cell_length_b 5.75779010
_cell_length_c 9.31507367
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,919 | 7,444 | mp-862965 | -0.569331 | 0 | PmTlAu2 | 0 | ['Au', 'Pm', 'Tl'] | # generated using pymatgen
data_PmTlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09368612
_cell_length_b 5.09368612
_cell_length_c 5.09368612
_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_PmTlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20355999
_cell_length_b 7.20355999
_cell_length_c 7.20355999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,920 | 39,000 | mp-1008501 | 0.050546 | 0 | Be | 0.050546 | ['Be'] | # generated using pymatgen
data_Be
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74681400
_cell_length_b 3.74681400
_cell_length_c 2.28128000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be
_... | 136 | 136 | # generated using pymatgen
data_Be
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74681400
_cell_length_b 3.74681400
_cell_length_c 2.28128000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be
_... |
24,921 | 41,001 | mp-1002106 | -0.628392 | 0 | HfPd | 0.060317 | ['Hf', 'Pd'] | # generated using pymatgen
data_HfPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32776500
_cell_length_b 3.32776500
_cell_length_c 3.32776500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... | 221 | 221 | # generated using pymatgen
data_HfPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32776500
_cell_length_b 3.32776500
_cell_length_c 3.32776500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... |
24,922 | 1,880 | mp-573697 | -2.25495 | 5.0172 | CsCl | 0 | ['Cs', 'Cl'] | # generated using pymatgen
data_CsCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99359799
_cell_length_b 4.99359799
_cell_length_c 4.99359799
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs... | 225 | 225 | # generated using pymatgen
data_CsCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06201400
_cell_length_b 7.06201400
_cell_length_c 7.06201400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs... |
24,923 | 1,308 | mp-22660 | -1.396634 | 0.2498 | InAgO2 | 0 | ['In', 'Ag', 'O'] | # generated using pymatgen
data_InAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68418339
_cell_length_b 6.68418339
_cell_length_c 6.68418314
_cell_angle_alpha 28.87280301
_cell_angle_beta 28.87280301
_cell_angle_gamma 28.87280835
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_InAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33280367
_cell_length_b 3.33280367
_cell_length_c 19.20369807
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,924 | 1,064 | mp-1103414 | -0.9829 | 0 | ZrSiPd | 0 | ['Pd', 'Si', 'Zr'] | # generated using pymatgen
data_ZrSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90953000
_cell_length_b 6.67872300
_cell_length_c 7.67577000
_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_ZrSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90953000
_cell_length_b 6.67872300
_cell_length_c 7.67577000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,925 | 33,308 | mp-17535 | -0.137619 | 0 | B3Ru7 | 0.028222 | ['B', 'Ru'] | # generated using pymatgen
data_B3Ru7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51940856
_cell_length_b 7.51940856
_cell_length_c 4.75557000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000496
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_B3Ru7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51940856
_cell_length_b 7.51940856
_cell_length_c 4.75557000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,926 | 13,076 | mp-1104515 | -0.322946 | 0 | Lu2FeC4 | 0 | ['C', 'Fe', 'Lu'] | # generated using pymatgen
data_Lu2FeC4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93263000
_cell_length_b 6.44630425
_cell_length_c 6.44630425
_cell_angle_alpha 70.37920244
_cell_angle_beta 67.50556855
_cell_angle_gamma 67.50556855
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 72 | 72 | # generated using pymatgen
data_Lu2FeC4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93263000
_cell_length_b 7.42980401
_cell_length_c 9.31056001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,927 | 37,356 | mp-548691 | -2.557446 | 0 | Sr2ZnReO6 | 0.043367 | ['O', 'Re', 'Sr', 'Zn'] | # generated using pymatgen
data_Sr2ZnReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68403599
_cell_length_b 5.68403599
_cell_length_c 5.68403599
_cell_angle_alpha 120.45985810
_cell_angle_beta 120.45985810
_cell_angle_gamma 89.20533090
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 87 | 87 | # generated using pymatgen
data_Sr2ZnReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64448200
_cell_length_b 5.64448200
_cell_length_c 8.09399200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,928 | 44,360 | mp-752551 | -1.993976 | 0.2791 | Ni3OF5 | 0.074505 | ['F', 'Ni', 'O'] | # generated using pymatgen
data_Ni3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63058679
_cell_length_b 5.63058679
_cell_length_c 7.39009911
_cell_angle_alpha 71.93250809
_cell_angle_beta 71.93250809
_cell_angle_gamma 71.58549833
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ni3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.13436401
_cell_length_b 6.58615401
_cell_length_c 7.39009911
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.47921083
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,929 | 4,163 | mp-1208320 | -1.215018 | 0 | TbNiP | 0 | ['Ni', 'P', 'Tb'] | # generated using pymatgen
data_TbNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91024208
_cell_length_b 3.91024208
_cell_length_c 15.54067600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000136
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_TbNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91024208
_cell_length_b 3.91024208
_cell_length_c 15.54067600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,930 | 24,715 | mp-1221741 | -0.60761 | 0 | Mn3CoP4 | 0.007449 | ['Co', 'Mn', 'P'] | # generated using pymatgen
data_Mn3CoP4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11820100
_cell_length_b 5.15599362
_cell_length_c 5.83878426
_cell_angle_alpha 90.24887386
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 6 | 6 | # generated using pymatgen
data_Mn3CoP4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15599362
_cell_length_b 3.11820100
_cell_length_c 5.83878426
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.24887386
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,931 | 17,810 | mp-27629 | -1.816963 | 2.3747 | Cs3Sb2Cl9 | 0 | ['Cl', 'Cs', 'Sb'] | # generated using pymatgen
data_Cs3Sb2Cl9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79652860
_cell_length_b 7.79652860
_cell_length_c 9.53674800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000508
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Cs3Sb2Cl9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79652860
_cell_length_b 7.79652860
_cell_length_c 9.53674800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,932 | 12,047 | mp-10924 | -0.634981 | 0 | Mg(Co3P2)2 | 0 | ['Mg', 'Co', 'P'] | # generated using pymatgen
data_Mg(Co3P2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57130692
_cell_length_b 6.57130692
_cell_length_c 3.35878200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000931
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 187 | 187 | # generated using pymatgen
data_Mg(Co3P2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57130692
_cell_length_b 6.57130692
_cell_length_c 3.35878200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,933 | 12,954 | mp-865930 | -0.166647 | 0 | TiZnCu2 | 0 | ['Ti', 'Zn', 'Cu'] | # generated using pymatgen
data_TiZnCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23812369
_cell_length_b 4.23812369
_cell_length_c 4.23812369
_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_TiZnCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99361200
_cell_length_b 5.99361200
_cell_length_c 5.99361200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,934 | 6,957 | mp-865795 | -0.364509 | 0 | LiSc2Ru | 0 | ['Li', 'Sc', 'Ru'] | # generated using pymatgen
data_LiSc2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63037986
_cell_length_b 4.63037986
_cell_length_c 4.63037986
_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_LiSc2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54834600
_cell_length_b 6.54834600
_cell_length_c 6.54834600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,935 | 16,174 | mp-1226296 | -0.500351 | 0.6842 | CrCu(PSe3)2 | 0 | ['Cr', 'Cu', 'P', 'Se'] | # generated using pymatgen
data_CrCu(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25319330
_cell_length_b 6.25319330
_cell_length_c 7.16310512
_cell_angle_alpha 81.91283950
_cell_angle_beta 81.91283950
_cell_angle_gamma 119.96477888
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 5 | 5 | # generated using pymatgen
data_CrCu(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25652200
_cell_length_b 10.82892600
_cell_length_c 7.16310512
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.33237795
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,936 | 8,271 | mp-239 | -1.435004 | 1.6197 | BaS3 | 0 | ['Ba', 'S'] | # generated using pymatgen
data_BaS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98366000
_cell_length_b 6.98366000
_cell_length_c 4.23423900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... | 113 | 113 | # generated using pymatgen
data_BaS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98366000
_cell_length_b 6.98366000
_cell_length_c 4.23423900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... |
24,937 | 40,752 | mp-1226490 | -3.784266 | 2.1798 | CeZr3O8 | 0.058063 | ['Ce', 'O', 'Zr'] | # generated using pymatgen
data_CeZr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52148407
_cell_length_b 6.52148407
_cell_length_c 3.70706200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.99795847
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_CeZr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38781000
_cell_length_b 10.74892000
_cell_length_c 3.70706200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,938 | 6,942 | mp-862917 | -0.694135 | 0 | PmInAu2 | 0 | ['Au', 'In', 'Pm'] | # generated using pymatgen
data_PmInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04078322
_cell_length_b 5.04078322
_cell_length_c 5.04078322
_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_PmInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12874399
_cell_length_b 7.12874399
_cell_length_c 7.12874399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,939 | 37,570 | mp-1106281 | -0.25511 | 0 | Th5Pb3 | 0.045182 | ['Pb', 'Th'] | # generated using pymatgen
data_Th5Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57866700
_cell_length_b 9.53661128
_cell_length_c 9.53697838
_cell_angle_alpha 119.99873623
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Th5Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.53679414
_cell_length_b 9.53679414
_cell_length_c 6.57866700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,940 | 38,202 | mp-1220586 | -0.404939 | 0 | Nb3V3Ir2 | 0.045706 | ['Ir', 'Nb', 'V'] | # generated using pymatgen
data_Nb3V3Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99841719
_cell_length_b 4.99841719
_cell_length_c 4.99841719
_cell_angle_alpha 89.88313473
_cell_angle_beta 90.11686527
_cell_angle_gamma 90.11686527
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 155 | 155 | # generated using pymatgen
data_Nb3V3Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06161662
_cell_length_b 7.06161662
_cell_length_c 8.67515313
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,941 | 23,654 | mp-1215296 | -0.104445 | 0 | ZrMnCr | 0.005407 | ['Cr', 'Mn', 'Zr'] | # generated using pymatgen
data_ZrMnCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04616640
_cell_length_b 5.04616640
_cell_length_c 8.10322100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.31986211
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_ZrMnCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02175000
_cell_length_b 8.75426800
_cell_length_c 8.10322100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,942 | 1,380 | mp-5109 | -0.695114 | 0 | Y(NiGe)2 | 0 | ['Y', 'Ni', 'Ge'] | # generated using pymatgen
data_Y(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69245732
_cell_length_b 5.69245732
_cell_length_c 5.69245732
_cell_angle_alpha 138.14213399
_cell_angle_beta 138.14213399
_cell_angle_gamma 60.68538343
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Y(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06680200
_cell_length_b 4.06680200
_cell_length_c 9.82540200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,943 | 16,352 | mp-554337 | -2.48078 | 0 | Rb2IrF6 | 0 | ['F', 'Ir', 'Rb'] | # generated using pymatgen
data_Rb2IrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07545666
_cell_length_b 6.07545666
_cell_length_c 4.89364900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000721
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Rb2IrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07545666
_cell_length_b 6.07545666
_cell_length_c 4.89364900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,944 | 6,438 | mp-865222 | -0.623265 | 0 | Dy2RuRh | 0 | ['Dy', 'Rh', 'Ru'] | # generated using pymatgen
data_Dy2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81696413
_cell_length_b 4.81696413
_cell_length_c 4.81696413
_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_Dy2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81221600
_cell_length_b 6.81221600
_cell_length_c 6.81221600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,945 | 24,262 | mp-1225738 | -0.603892 | 0.2643 | CuBi5S8 | 0.006675 | ['Bi', 'Cu', 'S'] | # generated using pymatgen
data_CuBi5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97552390
_cell_length_b 6.97552390
_cell_length_c 14.22277681
_cell_angle_alpha 66.30750893
_cell_angle_beta 66.30750893
_cell_angle_gamma 33.86504058
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_CuBi5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.34624799
_cell_length_b 4.06317600
_cell_length_c 14.22277681
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.83692568
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,946 | 4,865 | mp-4262 | -0.052391 | 0 | BeAlB | 0 | ['Be', 'Al', 'B'] | # generated using pymatgen
data_BeAlB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50918145
_cell_length_b 3.50918145
_cell_length_c 3.50918145
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 216 | 216 | # generated using pymatgen
data_BeAlB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96273200
_cell_length_b 4.96273200
_cell_length_c 4.96273200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,947 | 960 | mp-546936 | -1.167946 | 0.8142 | Co(RhO2)2 | 0 | ['Co', 'O', 'Rh'] | # generated using pymatgen
data_Co(RhO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10231900
_cell_length_b 6.10229549
_cell_length_c 6.10230532
_cell_angle_alpha 89.99999443
_cell_angle_beta 59.99996216
_cell_angle_gamma 120.00002666
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 227 | 227 | # generated using pymatgen
data_Co(RhO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62996182
_cell_length_b 8.62996182
_cell_length_c 8.62996182
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,948 | 12,492 | mp-980199 | -0.568955 | 0 | YbDyHg2 | 0 | ['Yb', 'Dy', 'Hg'] | # generated using pymatgen
data_YbDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26875021
_cell_length_b 5.26875021
_cell_length_c 5.26875021
_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_YbDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45113800
_cell_length_b 7.45113800
_cell_length_c 7.45113800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,949 | 37,470 | mp-975868 | -0.079682 | 0 | Li3Al | 0.042505 | ['Li', 'Al'] | # generated using pymatgen
data_Li3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19182026
_cell_length_b 5.19182026
_cell_length_c 5.19182026
_cell_angle_alpha 135.67809555
_cell_angle_beta 135.67809555
_cell_angle_gamma 64.47839905
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Li3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91681000
_cell_length_b 3.91681000
_cell_length_c 8.78277800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
24,950 | 33,000 | mp-1002570 | -1.923247 | 2.0755 | KMnO2 | 0.028029 | ['K', 'Mn', 'O'] | # generated using pymatgen
data_KMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89257763
_cell_length_b 6.37202194
_cell_length_c 6.57670811
_cell_angle_alpha 113.84826739
_cell_angle_beta 90.00501450
_cell_angle_gamma 89.99487677
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_KMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37202194
_cell_length_b 2.94628881
_cell_length_c 6.57670811
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.84826739
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,951 | 30,109 | mp-1186711 | 0.020013 | 0 | Pr3Er | 0.020013 | ['Er', 'Pr'] | # generated using pymatgen
data_Pr3Er
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38072919
_cell_length_b 6.38072919
_cell_length_c 6.38072919
_cell_angle_alpha 132.07579963
_cell_angle_beta 132.07579963
_cell_angle_gamma 70.10933594
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Pr3Er
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18284000
_cell_length_b 5.18284000
_cell_length_c 10.44658600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,952 | 37,304 | mp-13334 | -1.939425 | 1.081 | ZnSnO3 | 0.041422 | ['Zn', 'Sn', 'O'] | # generated using pymatgen
data_ZnSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65912198
_cell_length_b 5.65912198
_cell_length_c 5.65912176
_cell_angle_alpha 56.42809504
_cell_angle_beta 56.42809504
_cell_angle_gamma 56.42809210
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 161 | 161 | # generated using pymatgen
data_ZnSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35089008
_cell_length_b 5.35089008
_cell_length_c 14.22444628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,953 | 39,821 | mp-25390 | -2.523212 | 2.8292 | Li2CoPO4F | 0.053965 | ['Co', 'F', 'Li', 'O', 'P'] | # generated using pymatgen
data_Li2CoPO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33833200
_cell_length_b 5.35760081
_cell_length_c 7.48787322
_cell_angle_alpha 108.51583673
_cell_angle_beta 108.32746298
_cell_angle_gamma 94.10606032
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 1 | 1 | # generated using pymatgen
data_Li2CoPO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33833200
_cell_length_b 5.35760081
_cell_length_c 7.48787322
_cell_angle_alpha 108.51583673
_cell_angle_beta 108.32746298
_cell_angle_gamma 94.10606032
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,954 | 25,235 | mp-1222925 | -0.965434 | 0 | LaPr3(CoP)8 | 0.00854 | ['Co', 'La', 'P', 'Pr'] | # generated using pymatgen
data_LaPr3(CoP)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90927300
_cell_length_b 3.90927300
_cell_length_c 19.95788600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 123 | 123 | # generated using pymatgen
data_LaPr3(CoP)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90927300
_cell_length_b 3.90927300
_cell_length_c 19.95788600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,955 | 1,249 | mp-1391 | -0.856517 | 0 | Ag2F | 0 | ['Ag', 'F'] | # generated using pymatgen
data_Ag2F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05726375
_cell_length_b 3.05726375
_cell_length_c 5.79489900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999456
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 164 | 164 | # generated using pymatgen
data_Ag2F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05726375
_cell_length_b 3.05726375
_cell_length_c 5.79489900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
24,956 | 33,761 | mp-1225356 | -0.071213 | 0 | Dy(VFe5)2 | 0.029083 | ['Dy', 'Fe', 'V'] | # generated using pymatgen
data_Dy(VFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68213400
_cell_length_b 6.42235692
_cell_length_c 6.42235692
_cell_angle_alpha 97.18244037
_cell_angle_beta 111.37793507
_cell_angle_gamma 68.62206493
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Dy(VFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68213400
_cell_length_b 8.41932600
_cell_length_c 8.49583800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,957 | 9,440 | mp-863682 | -0.571509 | 0 | PmGa3 | 0 | ['Ga', 'Pm'] | # generated using pymatgen
data_PmGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43342793
_cell_length_b 6.43342793
_cell_length_c 4.61360300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_PmGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43342793
_cell_length_b 6.43342793
_cell_length_c 4.61360300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,958 | 10,995 | mp-998307 | -1.238258 | 0 | CsPdBr3 | 0 | ['Cs', 'Pd', 'Br'] | # generated using pymatgen
data_CsPdBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33538000
_cell_length_b 5.33538000
_cell_length_c 5.33538000
_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_CsPdBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33538000
_cell_length_b 5.33538000
_cell_length_c 5.33538000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,959 | 14,229 | mp-1299 | -0.713708 | 0 | SiPt2 | 0 | ['Si', 'Pt'] | # generated using pymatgen
data_SiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11054741
_cell_length_b 4.11054741
_cell_length_c 4.11054741
_cell_angle_alpha 122.04652829
_cell_angle_beta 122.04652829
_cell_angle_gamma 86.49041418
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_SiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98274600
_cell_length_b 3.98274600
_cell_length_c 5.98847799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
24,960 | 6,965 | mp-867297 | -0.407486 | 0 | AcIn3 | 0 | ['Ac', 'In'] | # generated using pymatgen
data_AcIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21638858
_cell_length_b 7.21638858
_cell_length_c 5.25191800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000531
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_AcIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21638858
_cell_length_b 7.21638858
_cell_length_c 5.25191800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,961 | 36,005 | mp-1018825 | -0.572043 | 0 | NdPbAu | 0.039289 | ['Au', 'Nd', 'Pb'] | # generated using pymatgen
data_NdPbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89453196
_cell_length_b 4.89453196
_cell_length_c 7.70663700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999940
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_NdPbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89453196
_cell_length_b 4.89453196
_cell_length_c 7.70663700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,962 | 4,778 | mp-2152 | -0.318709 | 0 | YNi5 | 0 | ['Y', 'Ni'] | # generated using pymatgen
data_YNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88228316
_cell_length_b 4.88228316
_cell_length_c 3.94235000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998859
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 191 | 191 | # generated using pymatgen
data_YNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88228316
_cell_length_b 4.88228316
_cell_length_c 3.94235000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
24,963 | 14,703 | mp-1225298 | -0.994167 | 0 | Eu2P3Pt4 | 0 | ['Eu', 'P', 'Pt'] | # generated using pymatgen
data_Eu2P3Pt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.07653179
_cell_length_b 10.07653179
_cell_length_c 10.07653179
_cell_angle_alpha 156.10915607
_cell_angle_beta 156.10915607
_cell_angle_gamma 34.04098332
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 119 | 119 | # generated using pymatgen
data_Eu2P3Pt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17127800
_cell_length_b 4.17127800
_cell_length_c 19.27036199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,964 | 45,213 | mp-776655 | -3.224468 | 0 | Ti2O3 | 0.078972 | ['O', 'Ti'] | # generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16780216
_cell_length_b 5.16780216
_cell_length_c 9.60760300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000207
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 163 | 163 | # generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16780216
_cell_length_b 5.16780216
_cell_length_c 9.60760300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,965 | 9,186 | mp-12266 | -3.041871 | 0.7949 | CaCuF4 | 0 | ['Ca', 'Cu', 'F'] | # generated using pymatgen
data_CaCuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49158971
_cell_length_b 6.49158971
_cell_length_c 6.49158971
_cell_angle_alpha 130.03412862
_cell_angle_beta 130.03412862
_cell_angle_gamma 73.35221045
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_CaCuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48342400
_cell_length_b 5.48342400
_cell_length_c 10.41283200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,966 | 1,121 | mp-1187984 | -0.27891 | 0 | Zr2FeTc | 0 | ['Fe', 'Tc', 'Zr'] | # generated using pymatgen
data_Zr2FeTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58646287
_cell_length_b 4.58646287
_cell_length_c 4.58646287
_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_Zr2FeTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48623799
_cell_length_b 6.48623799
_cell_length_c 6.48623799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,967 | 1,206 | mp-1215781 | -0.818826 | 0 | Yb4Ge3Au5 | 0 | ['Au', 'Ge', 'Yb'] | # generated using pymatgen
data_Yb4Ge3Au5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81275283
_cell_length_b 5.81275283
_cell_length_c 10.64944389
_cell_angle_alpha 84.57324879
_cell_angle_beta 84.57324879
_cell_angle_gamma 45.94761064
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 8 | 8 | # generated using pymatgen
data_Yb4Ge3Au5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.70341000
_cell_length_b 4.53755400
_cell_length_c 10.64944389
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.89585496
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,968 | 38,832 | mp-30708 | -0.483702 | 0 | HfNi2 | 0.048076 | ['Hf', 'Ni'] | # generated using pymatgen
data_HfNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88803119
_cell_length_b 4.88803119
_cell_length_c 4.88803119
_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_HfNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91272000
_cell_length_b 6.91272000
_cell_length_c 6.91272000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,969 | 33,755 | mp-1224418 | -1.441205 | 0.6206 | Hf2(SeS)3 | 0.028865 | ['Hf', 'S', 'Se'] | # generated using pymatgen
data_Hf2(SeS)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69176300
_cell_length_b 5.38649300
_cell_length_c 9.56362635
_cell_angle_alpha 83.28958429
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 6 | 6 | # generated using pymatgen
data_Hf2(SeS)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38649300
_cell_length_b 3.69176300
_cell_length_c 9.56362635
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.71041571
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,970 | 45,175 | mp-753888 | -1.880167 | 0.3303 | Li3MnFe3O8 | 0.079561 | ['Fe', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li3MnFe3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94255214
_cell_length_b 5.94255214
_cell_length_c 6.00651567
_cell_angle_alpha 60.24524846
_cell_angle_beta 60.24524846
_cell_angle_gamma 59.88714008
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li3MnFe3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.29864999
_cell_length_b 5.93241200
_cell_length_c 6.00651567
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.94146050
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,971 | 14,561 | mp-1104325 | -0.342429 | 0 | Tb3Zn11 | 0 | ['Tb', 'Zn'] | # generated using pymatgen
data_Tb3Zn11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15608614
_cell_length_b 8.15608614
_cell_length_c 8.15608614
_cell_angle_alpha 148.43362802
_cell_angle_beta 114.73816546
_cell_angle_gamma 74.30559271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 71 | 71 | # generated using pymatgen
data_Tb3Zn11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43687600
_cell_length_b 8.79593600
_cell_length_c 13.00125400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,972 | 33,859 | mp-37657 | -3.409888 | 2.9302 | Ca3SiO5 | 0.028829 | ['Ca', 'Si', 'O'] | # generated using pymatgen
data_Ca3SiO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25092367
_cell_length_b 7.25092367
_cell_length_c 5.55778500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999696
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_Ca3SiO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25092367
_cell_length_b 7.25092367
_cell_length_c 5.55778500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,973 | 43,486 | mvc-15363 | -2.038891 | 1.7832 | SnO2 | 0.068591 | ['O', 'Sn'] | # generated using pymatgen
data_SnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76898512
_cell_length_b 7.76898512
_cell_length_c 7.76898512
_cell_angle_alpha 92.48049105
_cell_angle_beta 92.48049105
_cell_angle_gamma 155.98537026
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 87 | 87 | # generated using pymatgen
data_SnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.74662000
_cell_length_b 10.74662000
_cell_length_c 3.23246600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,974 | 30,336 | mp-30772 | -0.034305 | 0 | NdMg12 | 0.019015 | ['Mg', 'Nd'] | # generated using pymatgen
data_NdMg12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83321835
_cell_length_b 7.83321835
_cell_length_c 7.83321835
_cell_angle_alpha 98.47556369
_cell_angle_beta 98.47556369
_cell_angle_gamma 134.84771006
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_NdMg12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.22895000
_cell_length_b 10.22895000
_cell_length_c 6.01451600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,975 | 33,905 | mp-752498 | -2.90941 | 3.2978 | Li2VOF5 | 0.029862 | ['F', 'Li', 'O', 'V'] | # generated using pymatgen
data_Li2VOF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46957101
_cell_length_b 5.46957101
_cell_length_c 5.46957101
_cell_angle_alpha 111.69995030
_cell_angle_beta 108.54829324
_cell_angle_gamma 108.18885855
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_Li2VOF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14081601
_cell_length_b 6.38744801
_cell_length_c 6.41527201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,976 | 22,216 | mp-1223371 | -0.861744 | 0 | La2Al3GaPd4 | 0.002788 | ['Al', 'Ga', 'La', 'Pd'] | # generated using pymatgen
data_La2Al3GaPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42576100
_cell_length_b 4.42576100
_cell_length_c 10.20785100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 115 | 115 | # generated using pymatgen
data_La2Al3GaPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42576100
_cell_length_b 4.42576100
_cell_length_c 10.20785100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,977 | 1,215 | mp-1218931 | -0.724952 | 0.8182 | SnPtS | 0 | ['Pt', 'S', 'Sn'] | # generated using pymatgen
data_SnPtS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20777600
_cell_length_b 6.20777600
_cell_length_c 6.20777600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 198 | 198 | # generated using pymatgen
data_SnPtS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20777600
_cell_length_b 6.20777600
_cell_length_c 6.20777600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
24,978 | 9,099 | mp-11649 | -1.598109 | 0.1866 | Ca3SiO | 0 | ['Ca', 'Si', 'O'] | # generated using pymatgen
data_Ca3SiO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67787300
_cell_length_b 6.69644100
_cell_length_c 9.45696300
_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_Ca3SiO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67787300
_cell_length_b 6.69644100
_cell_length_c 9.45696300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,979 | 17,979 | mp-9510 | -0.606996 | 1.2994 | Tl2PAuS4 | 0 | ['Au', 'P', 'S', 'Tl'] | # generated using pymatgen
data_Tl2PAuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84239400
_cell_length_b 6.62565400
_cell_length_c 9.55245375
_cell_angle_alpha 87.72929417
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Tl2PAuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62565400
_cell_length_b 6.84239400
_cell_length_c 9.55245375
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.27070583
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,980 | 41,471 | mp-961706 | -0.923329 | 0.9701 | TiSiPt | 0.060328 | ['Ti', 'Si', 'Pt'] | # generated using pymatgen
data_TiSiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17159201
_cell_length_b 4.17159201
_cell_length_c 4.17159201
_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_TiSiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89952200
_cell_length_b 5.89952200
_cell_length_c 5.89952200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,981 | 15,753 | mp-20301 | -0.841695 | 0 | La2Pd2Pb | 0 | ['La', 'Pb', 'Pd'] | # generated using pymatgen
data_La2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04261500
_cell_length_b 8.04261500
_cell_length_c 3.96991900
_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_La2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04261500
_cell_length_b 8.04261500
_cell_length_c 3.96991900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,982 | 33,165 | mp-1215936 | -2.811972 | 3.219 | Zr3Ti(PbO3)4 | 0.027526 | ['O', 'Pb', 'Ti', 'Zr'] | # generated using pymatgen
data_Zr3Ti(PbO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.72818800
_cell_length_b 4.25015100
_cell_length_c 5.93701362
_cell_angle_alpha 88.81458940
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 6 | 6 | # generated using pymatgen
data_Zr3Ti(PbO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25015100
_cell_length_b 11.72818800
_cell_length_c 5.93701362
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.18541060
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,983 | 22,261 | mp-1238893 | -1.106745 | 0.1827 | TiCrAgS4 | 0.003239 | ['Ag', 'Cr', 'S', 'Ti'] | # generated using pymatgen
data_TiCrAgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26150596
_cell_length_b 7.26150596
_cell_length_c 7.26150596
_cell_angle_alpha 119.81944709
_cell_angle_beta 119.09605372
_cell_angle_gamma 90.94292120
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 24 | 24 | # generated using pymatgen
data_TiCrAgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28131400
_cell_length_b 7.36049400
_cell_length_c 10.18447200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,984 | 45,166 | mp-752468 | -2.103063 | 0 | LiMn3O5F | 0.078835 | ['F', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_LiMn3O5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09242128
_cell_length_b 5.48022604
_cell_length_c 4.95328696
_cell_angle_alpha 115.24364780
_cell_angle_beta 62.80848256
_cell_angle_gamma 118.91200810
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 1 | 1 | # generated using pymatgen
data_LiMn3O5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95328696
_cell_length_b 5.09242128
_cell_length_c 5.48022604
_cell_angle_alpha 61.08799190
_cell_angle_beta 64.75635220
_cell_angle_gamma 62.80848256
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,985 | 10,312 | mp-2824 | -0.831161 | 0 | AlPd2 | 0 | ['Al', 'Pd'] | # generated using pymatgen
data_AlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12153900
_cell_length_b 5.48030200
_cell_length_c 7.85104800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 62 | 62 | # generated using pymatgen
data_AlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12153900
_cell_length_b 5.48030200
_cell_length_c 7.85104800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
24,986 | 39,810 | mp-20050 | -0.050135 | 0 | InP3 | 0.052762 | ['In', 'P'] | # generated using pymatgen
data_InP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50761397
_cell_length_b 5.50761397
_cell_length_c 5.50761300
_cell_angle_alpha 86.14094129
_cell_angle_beta 86.14094129
_cell_angle_gamma 86.14093882
_symmetry_Int_Tables_number 1
_chemical_formula_structural In... | 166 | 166 | # generated using pymatgen
data_InP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52226976
_cell_length_b 7.52226976
_cell_length_c 10.16123268
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,987 | 8,463 | mp-9172 | -2.707545 | 4.5494 | Li4TiO4 | 0 | ['Li', 'Ti', 'O'] | # generated using pymatgen
data_Li4TiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47659759
_cell_length_b 5.47659759
_cell_length_c 6.20379800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 93.77648521
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Li4TiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48567200
_cell_length_b 7.99607400
_cell_length_c 6.20379800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,988 | 18,751 | mp-2194 | -1.426345 | 0 | TiSe2 | 0 | ['Ti', 'Se'] | # generated using pymatgen
data_TiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54426206
_cell_length_b 3.54426206
_cell_length_c 6.69380600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000114
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_TiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54426206
_cell_length_b 3.54426206
_cell_length_c 6.69380600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,989 | 42,044 | mp-1101053 | -0.029383 | 0 | SmCo3 | 0.063459 | ['Co', 'Sm'] | # generated using pymatgen
data_SmCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03593419
_cell_length_b 5.03593500
_cell_length_c 8.74618963
_cell_angle_alpha 73.26814345
_cell_angle_beta 73.26814323
_cell_angle_gamma 60.00000128
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 166 | 166 | # generated using pymatgen
data_SmCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03593444
_cell_length_b 5.03593444
_cell_length_c 24.74632501
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,990 | 26,346 | mp-38008 | -1.851752 | 3.6297 | Li2CdCl4 | 0.010491 | ['Cd', 'Cl', 'Li'] | # generated using pymatgen
data_Li2CdCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58454973
_cell_length_b 7.58454973
_cell_length_c 7.58454973
_cell_angle_alpha 120.01097075
_cell_angle_beta 118.41147796
_cell_angle_gamma 91.37716610
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 74 | 74 | # generated using pymatgen
data_Li2CdCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58329200
_cell_length_b 7.76592400
_cell_length_c 10.59649400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,991 | 3,635 | mp-1205788 | -0.31185 | 0 | HoMgTl | 0 | ['Ho', 'Mg', 'Tl'] | # generated using pymatgen
data_HoMgTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51998384
_cell_length_b 7.51998384
_cell_length_c 4.68555400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999863
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_HoMgTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51998384
_cell_length_b 7.51998384
_cell_length_c 4.68555400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,992 | 43,192 | mp-1220676 | -0.960212 | 0 | Nb3IrSe8 | 0.070931 | ['Ir', 'Nb', 'Se'] | # generated using pymatgen
data_Nb3IrSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84103605
_cell_length_b 6.84103605
_cell_length_c 9.02574089
_cell_angle_alpha 55.54828205
_cell_angle_beta 55.54828205
_cell_angle_gamma 60.04089260
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Nb3IrSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.84658000
_cell_length_b 6.84526400
_cell_length_c 9.02574089
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.79557190
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,993 | 18,260 | mp-2061 | -0.162201 | 0 | ThTl3 | 0 | ['Th', 'Tl'] | # generated using pymatgen
data_ThTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84181800
_cell_length_b 4.84181800
_cell_length_c 4.84181800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 221 | 221 | # generated using pymatgen
data_ThTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84181800
_cell_length_b 4.84181800
_cell_length_c 4.84181800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,994 | 38,230 | mp-1224090 | -0.3854 | 0 | HoAlCo | 0.046237 | ['Al', 'Co', 'Ho'] | # generated using pymatgen
data_HoAlCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31672254
_cell_length_b 5.31673846
_cell_length_c 8.38055700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 60.90670872
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_HoAlCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38942855
_cell_length_b 9.16649075
_cell_length_c 8.38055700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,995 | 27,169 | mp-1217311 | -1.848045 | 0 | ThUS2 | 0.01169 | ['S', 'Th', 'U'] | # generated using pymatgen
data_ThUS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07396962
_cell_length_b 7.07396962
_cell_length_c 7.07396993
_cell_angle_alpha 31.84460705
_cell_angle_beta 31.84460705
_cell_angle_gamma 31.84460074
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 166 | 166 | # generated using pymatgen
data_ThUS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88125442
_cell_length_b 3.88125442
_cell_length_c 20.12900937
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,996 | 44,502 | mp-1018063 | -0.657755 | 0 | ErH3 | 0.077274 | ['Er', 'H'] | # generated using pymatgen
data_ErH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60094128
_cell_length_b 3.60094128
_cell_length_c 3.60094128
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er... | 225 | 225 | # generated using pymatgen
data_ErH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09250000
_cell_length_b 5.09250000
_cell_length_c 5.09250000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er... |
24,997 | 31,551 | mp-1106048 | -0.555308 | 0 | Ce(BRh)4 | 0.023992 | ['B', 'Ce', 'Rh'] | # generated using pymatgen
data_Ce(BRh)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35170600
_cell_length_b 5.35170600
_cell_length_c 7.50748400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 137 | 137 | # generated using pymatgen
data_Ce(BRh)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35170600
_cell_length_b 5.35170600
_cell_length_c 7.50748400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,998 | 27,495 | mp-9983 | -1.014643 | 0 | Ta2Se3 | 0.012498 | ['Ta', 'Se'] | # generated using pymatgen
data_Ta2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42736400
_cell_length_b 6.62862800
_cell_length_c 9.31089172
_cell_angle_alpha 75.60440663
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Ta2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62862800
_cell_length_b 3.42736400
_cell_length_c 9.31089172
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.39559337
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,999 | 21,640 | mp-1189465 | -0.187108 | 0 | Tm2Co7 | 0.001886 | ['Co', 'Tm'] | # generated using pymatgen
data_Tm2Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92900788
_cell_length_b 4.92900800
_cell_length_c 12.36152562
_cell_angle_alpha 78.49994243
_cell_angle_beta 78.49994253
_cell_angle_gamma 59.99999917
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Tm2Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92900788
_cell_length_b 4.92900788
_cell_length_c 36.08850901
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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