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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
500 | 11,297 | mp-23185 | -0.859515 | 2.8635 | XeF4 | 0 | ['F', 'Xe'] | # generated using pymatgen
data_XeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98961600
_cell_length_b 5.27337600
_cell_length_c 7.27114683
_cell_angle_alpha 54.23503747
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Xe... | 14 | 14 | # generated using pymatgen
data_XeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27337600
_cell_length_b 5.98961600
_cell_length_c 7.27114683
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.76496253
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural X... |
501 | 43,403 | mp-757499 | -1.610585 | 0 | Li2Fe3CoO8 | 0.068537 | ['Co', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_Li2Fe3CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03172543
_cell_length_b 5.90924500
_cell_length_c 5.89893908
_cell_angle_alpha 59.94219583
_cell_angle_beta 60.09641083
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li2Fe3CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.21130572
_cell_length_b 5.90924500
_cell_length_c 6.03172543
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.16987273
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
502 | 28,539 | mp-1102752 | -0.325185 | 0 | TmCo4B | 0.015669 | ['B', 'Co', 'Tm'] | # generated using pymatgen
data_TmCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95873300
_cell_length_b 4.95873347
_cell_length_c 6.82728900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000355
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_TmCo4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95873323
_cell_length_b 4.95873323
_cell_length_c 6.82728900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
503 | 21,298 | mp-22538 | -1.975071 | 2.3513 | Li8PbO6 | 0.001054 | ['Li', 'O', 'Pb'] | # generated using pymatgen
data_Li8PbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20022151
_cell_length_b 6.20022151
_cell_length_c 6.20022161
_cell_angle_alpha 53.77239422
_cell_angle_beta 53.77239422
_cell_angle_gamma 53.77238831
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Li8PbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60772631
_cell_length_b 5.60772631
_cell_length_c 15.86332053
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
504 | 6,743 | mp-13396 | -0.411825 | 0 | LiIn2Rh | 0 | ['Li', 'In', 'Rh'] | # generated using pymatgen
data_LiIn2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62075614
_cell_length_b 4.62075614
_cell_length_c 4.62075614
_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_LiIn2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53473600
_cell_length_b 6.53473600
_cell_length_c 6.53473600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
505 | 6,402 | mp-768241 | -3.055003 | 3.8606 | Dy2Ge2O7 | 0 | ['Dy', 'Ge', 'O'] | # generated using pymatgen
data_Dy2Ge2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80222116
_cell_length_b 5.80222116
_cell_length_c 5.01305192
_cell_angle_alpha 82.57376916
_cell_angle_beta 82.57376916
_cell_angle_gamma 105.29140804
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 5 | 5 | # generated using pymatgen
data_Dy2Ge2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04090200
_cell_length_b 9.22435800
_cell_length_c 5.01305192
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.29952756
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
506 | 35,015 | mp-1040464 | -1.619336 | 0 | NaOsO3 | 0.035055 | ['Na', 'O', 'Os'] | # generated using pymatgen
data_NaOsO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87667400
_cell_length_b 3.87667400
_cell_length_c 3.87667400
_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_NaOsO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87667400
_cell_length_b 3.87667400
_cell_length_c 3.87667400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
507 | 28,951 | mp-862909 | -0.559447 | 0 | PmGeAu2 | 0.016169 | ['Au', 'Ge', 'Pm'] | # generated using pymatgen
data_PmGeAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97020690
_cell_length_b 4.97020690
_cell_length_c 4.97020690
_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_PmGeAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02893401
_cell_length_b 7.02893401
_cell_length_c 7.02893401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
508 | 17,727 | mp-1358 | -0.828326 | 0 | DyIr2 | 0 | ['Dy', 'Ir'] | # generated using pymatgen
data_DyIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36169657
_cell_length_b 5.36169657
_cell_length_c 5.36169657
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | 227 | 227 | # generated using pymatgen
data_DyIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58258401
_cell_length_b 7.58258401
_cell_length_c 7.58258401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... |
509 | 38,199 | mp-1220450 | 0.046508 | 0 | Nd(CrFe5)2 | 0.046508 | ['Cr', 'Fe', 'Nd'] | # generated using pymatgen
data_Nd(CrFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68932500
_cell_length_b 6.44559494
_cell_length_c 6.44559494
_cell_angle_alpha 97.25195169
_cell_angle_beta 111.33140908
_cell_angle_gamma 68.66859092
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Nd(CrFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68932500
_cell_length_b 8.46111600
_cell_length_c 8.52071200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
510 | 8,664 | mp-1207861 | -1.862181 | 2.249 | VCd2BiO6 | 0 | ['Bi', 'Cd', 'O', 'V'] | # generated using pymatgen
data_VCd2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28411298
_cell_length_b 7.28411298
_cell_length_c 5.73933200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.70621644
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 36 | 36 | # generated using pymatgen
data_VCd2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.89817600
_cell_length_b 11.53497600
_cell_length_c 5.73933200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
511 | 26,479 | mp-977244 | -1.439021 | 0 | NaTi5Se8 | 0.009991 | ['Na', 'Se', 'Ti'] | # generated using pymatgen
data_NaTi5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.56069283
_cell_length_b 9.56069283
_cell_length_c 9.14997666
_cell_angle_alpha 75.06358897
_cell_angle_beta 75.06358897
_cell_angle_gamma 21.62714734
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_NaTi5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.78184399
_cell_length_b 3.58744000
_cell_length_c 9.14997666
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.21290110
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
512 | 17,590 | mp-11091 | -0.895289 | 0 | NdMgPt | 0 | ['Nd', 'Mg', 'Pt'] | # generated using pymatgen
data_NdMgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57686872
_cell_length_b 7.57686872
_cell_length_c 4.14470800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000628
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_NdMgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57686872
_cell_length_b 7.57686872
_cell_length_c 4.14470800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
513 | 568 | mp-1206288 | -0.463902 | 0 | NpSi2Ni | 0 | ['Ni', 'Np', 'Si'] | # generated using pymatgen
data_NpSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01231700
_cell_length_b 4.00354900
_cell_length_c 8.32552287
_cell_angle_alpha 103.91240661
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_NpSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00354900
_cell_length_b 16.16257800
_cell_length_c 4.01231700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
514 | 2,497 | mp-998786 | -1.696344 | 0 | TlPdF3 | 0 | ['F', 'Pd', 'Tl'] | # generated using pymatgen
data_TlPdF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35126300
_cell_length_b 4.35126300
_cell_length_c 4.35126300
_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_TlPdF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35126300
_cell_length_b 4.35126300
_cell_length_c 4.35126300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
515 | 27,664 | mp-1209159 | -2.590246 | 4.1864 | RbSc(WO4)2 | 0.013407 | ['O', 'Rb', 'Sc', 'W'] | # generated using pymatgen
data_RbSc(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93645849
_cell_length_b 5.93645849
_cell_length_c 7.84007600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000544
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 164 | 164 | # generated using pymatgen
data_RbSc(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93645849
_cell_length_b 5.93645849
_cell_length_c 7.84007600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
516 | 9,893 | mp-636368 | -0.23825 | 0.575 | Ga3Fe | 0 | ['Ga', 'Fe'] | # generated using pymatgen
data_Ga3Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26719800
_cell_length_b 6.26719800
_cell_length_c 6.58098200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 136 | 136 | # generated using pymatgen
data_Ga3Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26719800
_cell_length_b 6.26719800
_cell_length_c 6.58098200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
517 | 33,246 | mp-1226586 | -0.400504 | 0 | Co2Ni2Te5 | 0.028571 | ['Co', 'Ni', 'Te'] | # generated using pymatgen
data_Co2Ni2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63095900
_cell_length_b 6.63777011
_cell_length_c 9.43766429
_cell_angle_alpha 77.85182727
_cell_angle_beta 77.81577910
_cell_angle_gamma 61.41310937
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 2 | 2 | # generated using pymatgen
data_Co2Ni2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63095900
_cell_length_b 6.63777011
_cell_length_c 9.43766429
_cell_angle_alpha 77.85182727
_cell_angle_beta 77.81577910
_cell_angle_gamma 61.41310937
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
518 | 2,732 | mp-15779 | -0.469422 | 0 | Mg2SiNi3 | 0 | ['Mg', 'Si', 'Ni'] | # generated using pymatgen
data_Mg2SiNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66977069
_cell_length_b 4.66977069
_cell_length_c 4.66977146
_cell_angle_alpha 64.76668358
_cell_angle_beta 64.76668358
_cell_angle_gamma 64.76668891
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Mg2SiNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00208403
_cell_length_b 5.00208403
_cell_length_c 11.00901050
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
519 | 44,692 | mp-1215561 | -0.31373 | 0 | Zr2VNi3 | 0.076052 | ['Ni', 'V', 'Zr'] | # generated using pymatgen
data_Zr2VNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93524362
_cell_length_b 4.93524362
_cell_length_c 4.93524365
_cell_angle_alpha 61.26899475
_cell_angle_beta 61.26899475
_cell_angle_gamma 61.26900505
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Zr2VNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02960162
_cell_length_b 5.02960162
_cell_length_c 11.97159110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
520 | 38,618 | mp-1185940 | 0.020668 | 0 | MgPb2 | 0.048882 | ['Mg', 'Pb'] | # generated using pymatgen
data_MgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99419703
_cell_length_b 5.99419703
_cell_length_c 5.73553600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 122.09672757
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_MgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80323600
_cell_length_b 10.49018799
_cell_length_c 5.73553600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
521 | 27,365 | mp-558849 | -0.94959 | 1.9197 | CdBiS2Cl | 0.011978 | ['Bi', 'Cd', 'Cl', 'S'] | # generated using pymatgen
data_CdBiS2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00969200
_cell_length_b 9.67063500
_cell_length_c 12.79138900
_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_CdBiS2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00969200
_cell_length_b 9.67063500
_cell_length_c 12.79138900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
522 | 8,761 | mp-20058 | -0.858178 | 0 | GdAlPd | 0 | ['Al', 'Gd', 'Pd'] | # generated using pymatgen
data_GdAlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16565365
_cell_length_b 7.16565365
_cell_length_c 4.15326200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999681
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_GdAlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16565365
_cell_length_b 7.16565365
_cell_length_c 4.15326200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
523 | 6,938 | mp-862555 | -0.244003 | 0 | LiY2Al | 0 | ['Li', 'Y', 'Al'] | # generated using pymatgen
data_LiY2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17150040
_cell_length_b 5.17150040
_cell_length_c 5.17150040
_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_LiY2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31360600
_cell_length_b 7.31360600
_cell_length_c 7.31360600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
524 | 17,978 | mp-9211 | -0.683094 | 0 | Tm2Fe2Si2C | 0 | ['Tm', 'Fe', 'Si', 'C'] | # generated using pymatgen
data_Tm2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58469848
_cell_length_b 5.58469848
_cell_length_c 6.64215029
_cell_angle_alpha 53.51057429
_cell_angle_beta 53.51057429
_cell_angle_gamma 40.77069292
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Tm2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.46986445
_cell_length_b 3.89066200
_cell_length_c 6.64215029
_cell_angle_alpha 90.00000000
_cell_angle_beta 129.37595026
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
525 | 13,719 | mp-14445 | -0.682019 | 0 | Ca(BIr)2 | 0 | ['B', 'Ca', 'Ir'] | # generated using pymatgen
data_Ca(BIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12004457
_cell_length_b 6.15789370
_cell_length_c 5.52560460
_cell_angle_alpha 74.87468402
_cell_angle_beta 56.60605914
_cell_angle_gamma 48.51925683
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 70 | 70 | # generated using pymatgen
data_Ca(BIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95935000
_cell_length_b 9.30673800
_cell_length_c 10.77797600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
526 | 15,856 | mp-505683 | -0.569857 | 0 | U4As6Ru7 | 0 | ['As', 'Ru', 'U'] | # generated using pymatgen
data_U4As6Ru7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23445406
_cell_length_b 7.23445406
_cell_length_c 7.23445406
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 229 | 229 | # generated using pymatgen
data_U4As6Ru7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.35362800
_cell_length_b 8.35362800
_cell_length_c 8.35362800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
527 | 18,509 | mp-1025265 | -2.486592 | 0 | Cs2CuF4 | 0 | ['Cs', 'Cu', 'F'] | # generated using pymatgen
data_Cs2CuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80795942
_cell_length_b 7.80795942
_cell_length_c 7.80795942
_cell_angle_alpha 147.52066111
_cell_angle_beta 147.52066111
_cell_angle_gamma 46.59347212
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Cs2CuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36708400
_cell_length_b 4.36708400
_cell_length_c 14.34273600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
528 | 17,779 | mp-21167 | -0.47734 | 0 | Ni2P | 0 | ['Ni', 'P'] | # generated using pymatgen
data_Ni2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87275610
_cell_length_b 5.87275610
_cell_length_c 3.34933000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000111
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 189 | 189 | # generated using pymatgen
data_Ni2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87275610
_cell_length_b 5.87275610
_cell_length_c 3.34933000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
529 | 33,419 | mp-755705 | -1.859513 | 2.3508 | SrLaI5 | 0.027695 | ['I', 'La', 'Sr'] | # generated using pymatgen
data_SrLaI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68622100
_cell_length_b 9.34484700
_cell_length_c 15.07886123
_cell_angle_alpha 87.62173887
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_SrLaI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.34484700
_cell_length_b 4.68622100
_cell_length_c 15.07886123
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.37826113
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
530 | 9,831 | mp-30974 | -1.638531 | 0 | CsWCl6 | 0 | ['Cl', 'Cs', 'W'] | # generated using pymatgen
data_CsWCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07439587
_cell_length_b 7.07439587
_cell_length_c 12.76027030
_cell_angle_alpha 79.17147918
_cell_angle_beta 79.17147918
_cell_angle_gamma 55.54311848
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_CsWCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.51902600
_cell_length_b 6.59259400
_cell_length_c 12.76027030
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.25880171
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
531 | 31,465 | mp-973314 | -0.907334 | 0 | Ho2PdRh | 0.021786 | ['Ho', 'Pd', 'Rh'] | # generated using pymatgen
data_Ho2PdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88041706
_cell_length_b 4.88041706
_cell_length_c 4.88041706
_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_Ho2PdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90195200
_cell_length_b 6.90195200
_cell_length_c 6.90195200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
532 | 10,935 | mp-862970 | -0.308782 | 0 | PmTl3 | 0 | ['Pm', 'Tl'] | # generated using pymatgen
data_PmTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82548800
_cell_length_b 4.82548800
_cell_length_c 4.82548800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 221 | 221 | # generated using pymatgen
data_PmTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82548800
_cell_length_b 4.82548800
_cell_length_c 4.82548800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
533 | 24,125 | mp-1184740 | -0.479103 | 0 | HoErHg2 | 0.006407 | ['Er', 'Hg', 'Ho'] | # generated using pymatgen
data_HoErHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23700960
_cell_length_b 5.23700960
_cell_length_c 5.23700960
_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_HoErHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40625000
_cell_length_b 7.40625000
_cell_length_c 7.40625000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
534 | 19,811 | mp-31116 | -3.950563 | 3.8973 | LaScO3 | 0 | ['La', 'Sc', 'O'] | # generated using pymatgen
data_LaScO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70556700
_cell_length_b 5.83691800
_cell_length_c 8.15521300
_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_LaScO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70556700
_cell_length_b 5.83691800
_cell_length_c 8.15521300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
535 | 19,022 | mp-1069604 | -0.600796 | 0 | CaSi3Pt | 0 | ['Ca', 'Pt', 'Si'] | # generated using pymatgen
data_CaSi3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82355375
_cell_length_b 5.82355375
_cell_length_c 5.82355375
_cell_angle_alpha 137.31601654
_cell_angle_beta 137.31601654
_cell_angle_gamma 61.95218269
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_CaSi3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23877800
_cell_length_b 4.23877800
_cell_length_c 9.98602200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
536 | 38,382 | mp-675977 | -0.448119 | 0.6393 | AgBiS2 | 0.045541 | ['Ag', 'Bi', 'S'] | # generated using pymatgen
data_AgBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62115031
_cell_length_b 5.62115031
_cell_length_c 7.01200625
_cell_angle_alpha 66.34452692
_cell_angle_beta 66.34452692
_cell_angle_gamma 89.90033519
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_AgBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95641800
_cell_length_b 7.94259000
_cell_length_c 7.01200625
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.53715857
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
537 | 3,794 | mp-22947 | -1.684006 | 1.142 | K2ReCl6 | 0 | ['K', 'Re', 'Cl'] | # generated using pymatgen
data_K2ReCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14402002
_cell_length_b 7.14402002
_cell_length_c 7.14402002
_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_K2ReCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.10317000
_cell_length_b 10.10317000
_cell_length_c 10.10317000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
538 | 3,668 | mp-1212934 | -0.646339 | 0 | ErZnGe | 0 | ['Er', 'Ge', 'Zn'] | # generated using pymatgen
data_ErZnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23258377
_cell_length_b 4.23258377
_cell_length_c 15.30718900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999638
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ErZnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23258377
_cell_length_b 4.23258377
_cell_length_c 15.30718900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
539 | 14,443 | mp-865326 | -1.157344 | 0 | Lu2PdPt | 0 | ['Lu', 'Pd', 'Pt'] | # generated using pymatgen
data_Lu2PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85031977
_cell_length_b 4.85031977
_cell_length_c 4.85031977
_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_Lu2PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85938800
_cell_length_b 6.85938800
_cell_length_c 6.85938800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
540 | 8,369 | mp-561639 | -0.97334 | 1.7504 | CsSbS2 | 0 | ['Cs', 'S', 'Sb'] | # generated using pymatgen
data_CsSbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.95511000
_cell_length_b 7.18810700
_cell_length_c 7.99826911
_cell_angle_alpha 77.71354415
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_CsSbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18810700
_cell_length_b 9.95511000
_cell_length_c 7.99826911
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.28645585
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
541 | 20,546 | mp-1101917 | -0.49182 | 0.6355 | SnBi4Te7 | 0.000975 | ['Bi', 'Sn', 'Te'] | # generated using pymatgen
data_SnBi4Te7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46054947
_cell_length_b 4.46054947
_cell_length_c 24.57213400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999210
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_SnBi4Te7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46054947
_cell_length_b 4.46054947
_cell_length_c 24.57213400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
542 | 30,561 | mp-1105569 | -0.006654 | 0 | Y2Fe17 | 0.020227 | ['Fe', 'Y'] | # generated using pymatgen
data_Y2Fe17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40824347
_cell_length_b 6.40824347
_cell_length_c 6.40824321
_cell_angle_alpha 83.18913355
_cell_angle_beta 83.18913355
_cell_angle_gamma 83.18912451
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Y2Fe17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50829229
_cell_length_b 8.50829229
_cell_length_c 12.34573333
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
543 | 32,684 | mp-1217576 | -1.05283 | 1.1108 | TbBiTe3 | 0.026071 | ['Bi', 'Tb', 'Te'] | # generated using pymatgen
data_TbBiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.84725989
_cell_length_b 10.84725989
_cell_length_c 10.84726060
_cell_angle_alpha 23.48596893
_cell_angle_beta 23.48596893
_cell_angle_gamma 23.48597292
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 160 | 160 | # generated using pymatgen
data_TbBiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41530970
_cell_length_b 4.41530970
_cell_length_c 31.63040616
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
544 | 3,847 | mp-4584 | -1.648195 | 1.3067 | Tl3BO3 | 0 | ['Tl', 'B', 'O'] | # generated using pymatgen
data_Tl3BO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.42539654
_cell_length_b 9.42539654
_cell_length_c 3.88735200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000379
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 176 | 176 | # generated using pymatgen
data_Tl3BO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.42539654
_cell_length_b 9.42539654
_cell_length_c 3.88735200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
545 | 44,314 | mp-21409 | -0.833315 | 0.0001 | Zn(InS2)2 | 0.074968 | ['Zn', 'In', 'S'] | # generated using pymatgen
data_Zn(InS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92356082
_cell_length_b 3.92356082
_cell_length_c 26.60876900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998006
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 164 | 164 | # generated using pymatgen
data_Zn(InS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92356082
_cell_length_b 3.92356082
_cell_length_c 26.60876900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
546 | 14,745 | mp-16478 | -0.816963 | 0 | Tb2Si5Ru3 | 0 | ['Ru', 'Si', 'Tb'] | # generated using pymatgen
data_Tb2Si5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26098971
_cell_length_b 8.26098971
_cell_length_c 8.26098971
_cell_angle_alpha 140.14976388
_cell_angle_beta 108.40790696
_cell_angle_gamma 85.21011216
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 72 | 72 | # generated using pymatgen
data_Tb2Si5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63055400
_cell_length_b 9.66373400
_cell_length_c 12.16079400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
547 | 41,654 | mp-1206629 | -0.54378 | 0 | Tb2Ge6Pt | 0.061064 | ['Ge', 'Pt', 'Tb'] | # generated using pymatgen
data_Tb2Ge6Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09646000
_cell_length_b 4.12504200
_cell_length_c 11.22775554
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.51107592
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 38 | 38 | # generated using pymatgen
data_Tb2Ge6Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09646000
_cell_length_b 22.07869999
_cell_length_c 4.12504200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
548 | 44,629 | mp-1113577 | -1.556025 | 1.4771 | Cs2AlAgBr6 | 0.078046 | ['Ag', 'Al', 'Br', 'Cs'] | # generated using pymatgen
data_Cs2AlAgBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_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_Cs2AlAgBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.93731600
_cell_length_b 10.93731600
_cell_length_c 10.93731600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
549 | 10,074 | mp-1105716 | -0.867498 | 0 | YGe2Pt | 0 | ['Ge', 'Pt', 'Y'] | # generated using pymatgen
data_YGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36751600
_cell_length_b 8.80042800
_cell_length_c 9.56144274
_cell_angle_alpha 117.40027071
_cell_angle_beta 103.20242650
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 71 | 71 | # generated using pymatgen
data_YGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36751600
_cell_length_b 8.80042800
_cell_length_c 16.40615799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
550 | 36,169 | mp-1215437 | -0.016355 | 0 | ZnAg | 0.038174 | ['Ag', 'Zn'] | # generated using pymatgen
data_ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84132265
_cell_length_b 2.84132265
_cell_length_c 4.52463700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 113.81535070
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | 65 | 65 | # generated using pymatgen
data_ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10266600
_cell_length_b 4.76087400
_cell_length_c 4.52463700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn... |
551 | 30,064 | mp-11570 | -0.441318 | 0 | TbSn3 | 0.019349 | ['Sn', 'Tb'] | # generated using pymatgen
data_TbSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72631300
_cell_length_b 4.72631300
_cell_length_c 4.72631300
_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_TbSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72631300
_cell_length_b 4.72631300
_cell_length_c 4.72631300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
552 | 16,493 | mp-9870 | -3.060165 | 2.691 | K3Ta3(BO6)2 | 0 | ['B', 'K', 'O', 'Ta'] | # generated using pymatgen
data_K3Ta3(BO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88869640
_cell_length_b 8.88869640
_cell_length_c 3.94721100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000295
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 189 | 189 | # generated using pymatgen
data_K3Ta3(BO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88869640
_cell_length_b 8.88869640
_cell_length_c 3.94721100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
553 | 4,884 | mp-559161 | -2.614669 | 0 | CrCdF6 | 0 | ['Cd', 'Cr', 'F'] | # generated using pymatgen
data_CrCdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67561756
_cell_length_b 5.67561756
_cell_length_c 5.67561725
_cell_angle_alpha 55.73532945
_cell_angle_beta 55.73532945
_cell_angle_gamma 55.73531846
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_CrCdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30591841
_cell_length_b 5.30591841
_cell_length_c 14.33371504
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
554 | 40,681 | mp-1216950 | -0.367926 | 0 | TiCoNiSn | 0.058115 | ['Co', 'Ni', 'Sn', 'Ti'] | # generated using pymatgen
data_TiCoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31091892
_cell_length_b 4.31091892
_cell_length_c 4.31091892
_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_TiCoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09656000
_cell_length_b 6.09656000
_cell_length_c 6.09656000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
555 | 5,874 | mp-567636 | -0.275223 | 0.5303 | VFeSb | 0 | ['V', 'Fe', 'Sb'] | # generated using pymatgen
data_VFeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09362783
_cell_length_b 4.09362783
_cell_length_c 4.09362783
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 216 | 216 | # generated using pymatgen
data_VFeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78926400
_cell_length_b 5.78926400
_cell_length_c 5.78926400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
556 | 12,470 | mp-867913 | -0.600565 | 0 | LiHo2Ir | 0 | ['Ho', 'Ir', 'Li'] | # generated using pymatgen
data_LiHo2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89440788
_cell_length_b 4.89440788
_cell_length_c 4.89440788
_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_LiHo2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92173800
_cell_length_b 6.92173800
_cell_length_c 6.92173800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
557 | 16,062 | mp-1103038 | -0.48853 | 0 | SiIr2 | 0 | ['Ir', 'Si'] | # generated using pymatgen
data_SiIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01758400
_cell_length_b 5.32718900
_cell_length_c 7.73703000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 62 | 62 | # generated using pymatgen
data_SiIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01758400
_cell_length_b 5.32718900
_cell_length_c 7.73703000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
558 | 2,261 | mp-171 | -0.242144 | 0 | VNi3 | 0 | ['V', 'Ni'] | # generated using pymatgen
data_VNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37581627
_cell_length_b 4.37581627
_cell_length_c 4.37581627
_cell_angle_alpha 132.50404890
_cell_angle_beta 132.50404890
_cell_angle_gamma 69.43409204
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_VNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52440800
_cell_length_b 3.52440800
_cell_length_c 7.19362000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VN... |
559 | 2,491 | mp-989737 | 0 | 0 | Ag | 0 | ['Ag'] | # generated using pymatgen
data_Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40271219
_cell_length_b 7.40271219
_cell_length_c 7.40271154
_cell_angle_alpha 22.95551321
_cell_angle_beta 22.95551321
_cell_angle_gamma 22.95551104
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag
_... | 166 | 166 | # generated using pymatgen
data_Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94609407
_cell_length_b 2.94609407
_cell_length_c 21.61395128
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag... |
560 | 2,018 | mp-1025365 | -0.410426 | 0 | Sc(VGa2)2 | 0 | ['Sc', 'V', 'Ga'] | # generated using pymatgen
data_Sc(VGa2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28612573
_cell_length_b 5.28612573
_cell_length_c 5.28612573
_cell_angle_alpha 104.02228011
_cell_angle_beta 104.02228011
_cell_angle_gamma 121.02430392
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 139 | 139 | # generated using pymatgen
data_Sc(VGa2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50730800
_cell_length_b 6.50730800
_cell_length_c 5.20407400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
561 | 26,793 | mp-1246370 | -0.753131 | 0.9788 | Sr4GeN4 | 0.010901 | ['Ge', 'N', 'Sr'] | # generated using pymatgen
data_Sr4GeN4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88677432
_cell_length_b 6.76663730
_cell_length_c 8.57643771
_cell_angle_alpha 74.15569271
_cell_angle_beta 82.30194549
_cell_angle_gamma 60.70788692
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Sr4GeN4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76663730
_cell_length_b 12.01244835
_cell_length_c 8.57643771
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.84430729
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
562 | 5,929 | mp-862446 | -0.747777 | 0.0336 | TaAlRu2 | 0 | ['Ta', 'Al', 'Ru'] | # generated using pymatgen
data_TaAlRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37990426
_cell_length_b 4.37990426
_cell_length_c 4.37990426
_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_TaAlRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19412001
_cell_length_b 6.19412001
_cell_length_c 6.19412001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
563 | 26,334 | mp-30603 | -0.116453 | 0 | ZrCu5 | 0.009781 | ['Zr', 'Cu'] | # generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83568266
_cell_length_b 4.83568266
_cell_length_c 4.83568266
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | 216 | 216 | # generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83868800
_cell_length_b 6.83868800
_cell_length_c 6.83868800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... |
564 | 8,362 | mp-5578 | -0.486082 | 0 | LuB2Ru3 | 0 | ['Lu', 'B', 'Ru'] | # generated using pymatgen
data_LuB2Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47648240
_cell_length_b 5.47648240
_cell_length_c 3.02717900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000486
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_LuB2Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47648240
_cell_length_b 5.47648240
_cell_length_c 3.02717900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
565 | 42,288 | mp-1321525 | -2.436275 | 0.7295 | LiTiCoO4 | 0.065524 | ['Co', 'Li', 'O', 'Ti'] | # generated using pymatgen
data_LiTiCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91515630
_cell_length_b 5.96410139
_cell_length_c 5.98266097
_cell_angle_alpha 121.63484908
_cell_angle_beta 60.38346514
_cell_angle_gamma 119.73772260
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_LiTiCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.35731972
_cell_length_b 5.91515630
_cell_length_c 5.82519418
_cell_angle_alpha 90.00000000
_cell_angle_beta 123.95714100
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
566 | 30,327 | mp-27359 | -2.337752 | 0 | CsScCl3 | 0.018809 | ['Cl', 'Cs', 'Sc'] | # generated using pymatgen
data_CsScCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64366159
_cell_length_b 7.64366159
_cell_length_c 6.00308900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999648
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CsScCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64366159
_cell_length_b 7.64366159
_cell_length_c 6.00308900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
567 | 28,706 | mp-1218719 | -2.475667 | 0 | Sr2Sm2TlNi2O9 | 0.015425 | ['Ni', 'O', 'Sm', 'Sr', 'Tl'] | # generated using pymatgen
data_Sr2Sm2TlNi2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.13115950
_cell_length_b 15.12827189
_cell_length_c 3.80617583
_cell_angle_alpha 82.81704731
_cell_angle_beta 82.73080099
_cell_angle_gamma 14.45215170
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 42 | 42 | # generated using pymatgen
data_Sr2Sm2TlNi2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36648800
_cell_length_b 5.39895400
_cell_length_c 29.77682400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
568 | 4,838 | mp-30412 | -0.062494 | 0 | Pb3Au | 0 | ['Au', 'Pb'] | # generated using pymatgen
data_Pb3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.16035452
_cell_length_b 9.16035452
_cell_length_c 9.16035452
_cell_angle_alpha 96.32200919
_cell_angle_beta 96.32200919
_cell_angle_gamma 141.23931738
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 121 | 121 | # generated using pymatgen
data_Pb3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.22064000
_cell_length_b 12.22064000
_cell_length_c 6.07949800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
569 | 37,329 | mp-20866 | -0.503112 | 0 | GeRh | 0.042017 | ['Ge', 'Rh'] | # generated using pymatgen
data_GeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92586600
_cell_length_b 4.92586600
_cell_length_c 4.92586600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge... | 198 | 198 | # generated using pymatgen
data_GeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92586600
_cell_length_b 4.92586600
_cell_length_c 4.92586600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge... |
570 | 41,798 | mp-1521186 | -2.910666 | 0.681 | BaEuNbInO6 | 0.063054 | ['Ba', 'Eu', 'In', 'Nb', 'O'] | # generated using pymatgen
data_BaEuNbInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87018138
_cell_length_b 5.87018138
_cell_length_c 5.87018138
_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_BaEuNbInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30169012
_cell_length_b 8.30169012
_cell_length_c 8.30169012
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
571 | 37,951 | mp-807 | -0.790944 | 0 | NpTe | 0.044479 | ['Np', 'Te'] | # generated using pymatgen
data_NpTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39836540
_cell_length_b 4.39836540
_cell_length_c 4.39836540
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Np... | 225 | 225 | # generated using pymatgen
data_NpTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22022800
_cell_length_b 6.22022800
_cell_length_c 6.22022800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Np... |
572 | 10,767 | mp-24620 | -2.03568 | 4.119 | MgMoH2O5 | 0 | ['H', 'Mg', 'Mo', 'O'] | # generated using pymatgen
data_MgMoH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75804100
_cell_length_b 5.89150341
_cell_length_c 7.01486972
_cell_angle_alpha 100.44838446
_cell_angle_beta 94.67159591
_cell_angle_gamma 106.52654185
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_MgMoH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75804100
_cell_length_b 5.89150341
_cell_length_c 7.01486972
_cell_angle_alpha 100.44838446
_cell_angle_beta 94.67159591
_cell_angle_gamma 106.52654185
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
573 | 947 | mp-21252 | -0.46631 | 0 | GdCo3B2 | 0 | ['B', 'Co', 'Gd'] | # generated using pymatgen
data_GdCo3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02050040
_cell_length_b 5.02050040
_cell_length_c 3.01341500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000525
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_GdCo3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02050040
_cell_length_b 5.02050040
_cell_length_c 3.01341500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
574 | 24,729 | mp-1223766 | -0.371318 | 0 | K2Ba(FeAs)6 | 0.00779 | ['As', 'Ba', 'Fe', 'K'] | # generated using pymatgen
data_K2Ba(FeAs)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.61210276
_cell_length_b 8.61210276
_cell_length_c 7.18634711
_cell_angle_alpha 68.93718157
_cell_angle_beta 68.93718157
_cell_angle_gamma 36.80656354
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 12 | 12 | # generated using pymatgen
data_K2Ba(FeAs)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.34332400
_cell_length_b 5.43774000
_cell_length_c 7.18634711
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.25701741
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
575 | 1,770 | mp-2059 | -0.668057 | 0 | NbAs | 0 | ['Nb', 'As'] | # generated using pymatgen
data_NbAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37610007
_cell_length_b 6.37610007
_cell_length_c 6.37610007
_cell_angle_alpha 148.28319323
_cell_angle_beta 148.28319323
_cell_angle_gamma 45.46748885
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 109 | 109 | # generated using pymatgen
data_NbAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48467800
_cell_length_b 3.48467800
_cell_length_c 11.76148999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
576 | 36,454 | mp-849274 | -2.51972 | 2.4666 | LiFeOF2 | 0.039504 | ['F', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65241620
_cell_length_b 6.65241620
_cell_length_c 5.28015382
_cell_angle_alpha 83.50499619
_cell_angle_beta 83.50499619
_cell_angle_gamma 84.74195089
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82956800
_cell_length_b 8.96650200
_cell_length_c 5.28015382
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.80715110
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
577 | 31,145 | mp-1188869 | -1.041124 | 0 | Nb2N3 | 0.021362 | ['N', 'Nb'] | # generated using pymatgen
data_Nb2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02024900
_cell_length_b 8.18864300
_cell_length_c 8.31998300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 62 | 62 | # generated using pymatgen
data_Nb2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02024900
_cell_length_b 8.18864300
_cell_length_c 8.31998300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
578 | 32,977 | mp-984702 | -0.266865 | 0 | CeDyZn2 | 0.026393 | ['Ce', 'Dy', 'Zn'] | # generated using pymatgen
data_CeDyZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11078962
_cell_length_b 5.11078962
_cell_length_c 5.11078962
_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_CeDyZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22774800
_cell_length_b 7.22774800
_cell_length_c 7.22774800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
579 | 21,042 | mp-1102394 | -0.765912 | 0 | Nb5B6 | 0.00117 | ['B', 'Nb'] | # generated using pymatgen
data_Nb5B6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57300551
_cell_length_b 11.57300551
_cell_length_c 3.32028200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 164.26659887
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_Nb5B6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16796800
_cell_length_b 22.92818800
_cell_length_c 3.32028200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
580 | 27,370 | mp-567540 | 0.011682 | 0 | Ga | 0.011682 | ['Ga'] | # generated using pymatgen
data_Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67872353
_cell_length_b 8.67872353
_cell_length_c 5.27563200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.27256013
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga
... | 63 | 63 | # generated using pymatgen
data_Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.65374800
_cell_length_b 13.70323400
_cell_length_c 5.27563200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga... |
581 | 24,965 | mp-973603 | -0.660037 | 0 | Lu2ZnPd | 0.007728 | ['Lu', 'Pd', 'Zn'] | # generated using pymatgen
data_Lu2ZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88104356
_cell_length_b 4.88104356
_cell_length_c 4.88104356
_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_Lu2ZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90283800
_cell_length_b 6.90283800
_cell_length_c 6.90283800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
582 | 4,805 | mp-25469 | -1.965812 | 5.311 | AlCl3 | 0 | ['Al', 'Cl'] | # generated using pymatgen
data_AlCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02417025
_cell_length_b 6.02417025
_cell_length_c 6.65323612
_cell_angle_alpha 81.53498951
_cell_angle_beta 81.53498951
_cell_angle_gamma 119.97023837
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_AlCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02688000
_cell_length_b 10.43260400
_cell_length_c 6.65323612
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.11427502
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
583 | 5,151 | mp-1208875 | -2.872404 | 1.9513 | Sr2ErBiO6 | 0 | ['Bi', 'Er', 'O', 'Sr'] | # generated using pymatgen
data_Sr2ErBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92615669
_cell_length_b 6.04942000
_cell_length_c 8.45034904
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.07142957
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2ErBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92615669
_cell_length_b 6.04942000
_cell_length_c 10.31517664
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.99375878
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
584 | 12,284 | mp-27647 | -0.720052 | 1.3933 | AuCl3 | 0 | ['Au', 'Cl'] | # generated using pymatgen
data_AuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.90990300
_cell_length_b 6.92981300
_cell_length_c 7.11072055
_cell_angle_alpha 64.90139298
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_AuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92981300
_cell_length_b 11.90990300
_cell_length_c 7.11072055
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.09860702
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
585 | 39,076 | mp-1112161 | -1.311887 | 2.801 | Cs2RbBiI6 | 0.050986 | ['Bi', 'Cs', 'I', 'Rb'] | # generated using pymatgen
data_Cs2RbBiI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.30351847
_cell_length_b 9.30351847
_cell_length_c 9.30351847
_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_Cs2RbBiI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.15716200
_cell_length_b 13.15716200
_cell_length_c 13.15716200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
586 | 44,906 | mp-754588 | -2.558127 | 0 | ZrBiO4 | 0.078563 | ['Zr', 'Bi', 'O'] | # generated using pymatgen
data_ZrBiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59814550
_cell_length_b 6.59814550
_cell_length_c 6.59814550
_cell_angle_alpha 132.39139335
_cell_angle_beta 132.39139335
_cell_angle_gamma 69.61156168
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 88 | 88 | # generated using pymatgen
data_ZrBiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32620800
_cell_length_b 5.32620800
_cell_length_c 10.83536399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
587 | 23,620 | mp-1187614 | -0.549446 | 0 | YbLuHg2 | 0.005351 | ['Hg', 'Lu', 'Yb'] | # generated using pymatgen
data_YbLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20933485
_cell_length_b 5.20933485
_cell_length_c 5.20933485
_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_YbLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36711200
_cell_length_b 7.36711200
_cell_length_c 7.36711200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
588 | 38,456 | mp-863729 | -0.577619 | 0 | Ho2OsPd | 0.04742 | ['Ho', 'Os', 'Pd'] | # generated using pymatgen
data_Ho2OsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85902850
_cell_length_b 4.85902850
_cell_length_c 4.85902850
_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_Ho2OsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87170400
_cell_length_b 6.87170400
_cell_length_c 6.87170400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
589 | 31,304 | mp-1288025 | -2.262333 | 1.3273 | Li2MnCrO4 | 0.021913 | ['Cr', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li2MnCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20876442
_cell_length_b 5.83963648
_cell_length_c 5.20857213
_cell_angle_alpha 90.02240332
_cell_angle_beta 68.18243503
_cell_angle_gamma 89.91243328
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 20 | 20 | # generated using pymatgen
data_Li2MnCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83904277
_cell_length_b 8.62707832
_cell_length_c 5.83963648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
590 | 19,133 | mp-1189645 | -1.943301 | 0.1695 | Tb7RhBr12 | 0 | ['Br', 'Rh', 'Tb'] | # generated using pymatgen
data_Tb7RhBr12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.31381206
_cell_length_b 9.31381206
_cell_length_c 9.31381192
_cell_angle_alpha 107.17819911
_cell_angle_beta 107.17819911
_cell_angle_gamma 107.17820076
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 148 | 148 | # generated using pymatgen
data_Tb7RhBr12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.99115586
_cell_length_b 14.99115586
_cell_length_c 10.32083281
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
591 | 37,386 | mp-752726 | -3.540931 | 2.7472 | BaLa2O4 | 0.041428 | ['Ba', 'La', 'O'] | # generated using pymatgen
data_BaLa2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31597302
_cell_length_b 6.31597302
_cell_length_c 11.92853600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.33138807
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_BaLa2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65827400
_cell_length_b 12.09062000
_cell_length_c 11.92853600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
592 | 2,259 | mp-16719 | -0.175109 | 0 | Al12Tc | 0 | ['Al', 'Tc'] | # generated using pymatgen
data_Al12Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52342642
_cell_length_b 6.52342642
_cell_length_c 6.52342642
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 204 | 204 | # generated using pymatgen
data_Al12Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53260400
_cell_length_b 7.53260400
_cell_length_c 7.53260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
593 | 5,405 | mp-6253 | -3.357589 | 6.8545 | KLiBeF4 | 0 | ['Be', 'F', 'K', 'Li'] | # generated using pymatgen
data_KLiBeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13905459
_cell_length_b 5.13905459
_cell_length_c 8.74568500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000763
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 173 | 173 | # generated using pymatgen
data_KLiBeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13905459
_cell_length_b 5.13905459
_cell_length_c 8.74568500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
594 | 17,805 | mp-25250 | -2.506595 | 1.985 | MoP2O7 | 0 | ['Mo', 'O', 'P'] | # generated using pymatgen
data_MoP2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40338000
_cell_length_b 4.98788600
_cell_length_c 7.06614511
_cell_angle_alpha 73.85765944
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_MoP2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98788600
_cell_length_b 8.40338000
_cell_length_c 7.06614511
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.14234056
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
595 | 33,326 | mp-22414 | -1.06674 | 0.0626 | CuSeO3 | 0.028768 | ['Cu', 'Se', 'O'] | # generated using pymatgen
data_CuSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47677600
_cell_length_b 6.15155100
_cell_length_c 7.30675800
_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_CuSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47677600
_cell_length_b 6.15155100
_cell_length_c 7.30675800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
596 | 23,588 | mp-1184427 | -0.384213 | 0 | Gd2AlZn | 0.005105 | ['Al', 'Gd', 'Zn'] | # generated using pymatgen
data_Gd2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15984728
_cell_length_b 5.15984728
_cell_length_c 5.15984728
_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_Gd2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29712600
_cell_length_b 7.29712600
_cell_length_c 7.29712600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
597 | 23,009 | mp-1019535 | -3.449648 | 4.944 | BaAl2(SiO4)2 | 0.004654 | ['Al', 'Ba', 'O', 'Si'] | # generated using pymatgen
data_BaAl2(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34500962
_cell_length_b 5.34500962
_cell_length_c 7.96328900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999525
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 147 | 147 | # generated using pymatgen
data_BaAl2(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34500962
_cell_length_b 5.34500962
_cell_length_c 7.96328900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
598 | 6,662 | mp-1208560 | -1.746012 | 2.7749 | TaTlCl6 | 0 | ['Cl', 'Ta', 'Tl'] | # generated using pymatgen
data_TaTlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96613724
_cell_length_b 6.96613724
_cell_length_c 12.51991874
_cell_angle_alpha 79.40092853
_cell_angle_beta 79.40092853
_cell_angle_gamma 55.52735059
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_TaTlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.32834200
_cell_length_b 6.49001200
_cell_length_c 12.51991874
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.99730291
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
599 | 41,581 | mp-1113369 | -2.519208 | 1.2414 | Cs2CuBiF6 | 0.061977 | ['Bi', 'Cs', 'Cu', 'F'] | # generated using pymatgen
data_Cs2CuBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50481529
_cell_length_b 6.50481529
_cell_length_c 6.50481529
_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_Cs2CuBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.19919800
_cell_length_b 9.19919800
_cell_length_c 9.19919800
_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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