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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 37,228 | mp-1221227 | -1.63746 | 0.2133 | Na3MnCoNiO6 | 0.043001 | ['Co', 'Mn', 'Na', 'Ni', 'O'] | # generated using pymatgen
data_Na3MnCoNiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97762755
_cell_length_b 7.97762755
_cell_length_c 5.63711369
_cell_angle_alpha 72.48857871
_cell_angle_beta 72.48857871
_cell_angle_gamma 21.88936910
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 8 | 8 | # generated using pymatgen
data_Na3MnCoNiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.66504401
_cell_length_b 3.02928400
_cell_length_c 5.63711369
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.84664338
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
1 | 19,480 | mp-974729 | -0.314759 | 0 | Nd(Al2Cu)4 | 0 | ['Al', 'Cu', 'Nd'] | # generated using pymatgen
data_Nd(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80986360
_cell_length_b 6.80986360
_cell_length_c 6.80986360
_cell_angle_alpha 98.37904047
_cell_angle_beta 98.37904047
_cell_angle_gamma 135.11768988
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Nd(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.90129600
_cell_length_b 8.90129600
_cell_length_c 5.19911800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
2 | 29,624 | mp-1185360 | -0.193761 | 0 | LiMnIr2 | 0.018075 | ['Ir', 'Li', 'Mn'] | # generated using pymatgen
data_LiMnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16442336
_cell_length_b 4.16442336
_cell_length_c 4.16442336
_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_LiMnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88938400
_cell_length_b 5.88938400
_cell_length_c 5.88938400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
3 | 38,633 | mp-1188861 | -0.584694 | 3.8556 | LiCSN | 0.048847 | ['C', 'Li', 'N', 'S'] | # generated using pymatgen
data_LiCSN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85878300
_cell_length_b 5.34539600
_cell_length_c 12.34309100
_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_LiCSN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85878300
_cell_length_b 5.34539600
_cell_length_c 12.34309100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
4 | 10,889 | mp-677272 | -2.474759 | 0.4707 | La2EuS4 | 0 | ['Eu', 'La', 'S'] | # generated using pymatgen
data_La2EuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58418904
_cell_length_b 7.58418904
_cell_length_c 7.58418904
_cell_angle_alpha 109.26701102
_cell_angle_beta 109.26701102
_cell_angle_gamma 109.88041642
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 122 | 122 | # generated using pymatgen
data_La2EuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.77952400
_cell_length_b 8.77952400
_cell_length_c 8.71318600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
5 | 6,575 | mp-1104517 | -0.641076 | 0 | Yb3Ga9Pt2 | 0 | ['Ga', 'Pt', 'Yb'] | # generated using pymatgen
data_Yb3Ga9Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15825496
_cell_length_b 8.15825496
_cell_length_c 8.15825496
_cell_angle_alpha 149.44334390
_cell_angle_beta 106.91890144
_cell_angle_gamma 81.24876497
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Yb3Ga9Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29953400
_cell_length_b 9.71471200
_cell_length_c 12.38413800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
6 | 25,897 | mp-561310 | -2.160561 | 4.3134 | NaLiCO3 | 0.009368 | ['C', 'Li', 'Na', 'O'] | # generated using pymatgen
data_NaLiCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41836170
_cell_length_b 8.41836170
_cell_length_c 3.40376100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999762
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_NaLiCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41836170
_cell_length_b 8.41836170
_cell_length_c 3.40376100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
7 | 34,946 | mp-777964 | -1.697508 | 0 | Na2BiO3 | 0.033273 | ['Bi', 'Na', 'O'] | # generated using pymatgen
data_Na2BiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98276482
_cell_length_b 5.98276482
_cell_length_c 5.95252810
_cell_angle_alpha 80.19609968
_cell_angle_beta 80.19609968
_cell_angle_gamma 119.79711733
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Na2BiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00110200
_cell_length_b 10.35184401
_cell_length_c 5.95252810
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.84717885
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
8 | 22,517 | mp-1078776 | -0.73661 | 1.4018 | InBiS3 | 0.003336 | ['Bi', 'In', 'S'] | # generated using pymatgen
data_InBiS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93575700
_cell_length_b 6.67033000
_cell_length_c 9.94385815
_cell_angle_alpha 88.66672546
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_InBiS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67033000
_cell_length_b 3.93575700
_cell_length_c 9.94385815
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.33327454
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
9 | 8,161 | mp-1217581 | -0.521304 | 0 | TbAlNi4 | 0 | ['Al', 'Ni', 'Tb'] | # generated using pymatgen
data_TbAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89161618
_cell_length_b 4.89161618
_cell_length_c 4.00442400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.33985884
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_TbAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01384400
_cell_length_b 8.40077400
_cell_length_c 4.00442400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
10 | 25,779 | mp-1226849 | -0.521159 | 0.5664 | CdIn3Te4As | 0.009405 | ['As', 'Cd', 'In', 'Te'] | # generated using pymatgen
data_CdIn3Te4As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39789338
_cell_length_b 7.86179184
_cell_length_c 7.75471327
_cell_angle_alpha 100.12584288
_cell_angle_beta 114.19208370
_cell_angle_gamma 65.68166638
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 1 | 1 | # generated using pymatgen
data_CdIn3Te4As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39789338
_cell_length_b 7.75471327
_cell_length_c 7.83032765
_cell_angle_alpha 80.89095579
_cell_angle_beta 113.80374814
_cell_angle_gamma 114.19208370
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
11 | 6,623 | mp-1188441 | -0.08503 | 0 | TiCu4 | 0 | ['Cu', 'Ti'] | # generated using pymatgen
data_TiCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33620500
_cell_length_b 4.49819700
_cell_length_c 13.03164300
_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_TiCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33620500
_cell_length_b 4.49819700
_cell_length_c 13.03164300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
12 | 13,769 | mp-2400 | -1.078382 | 1.2566 | NaS | 0 | ['Na', 'S'] | # generated using pymatgen
data_NaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51430988
_cell_length_b 4.51430988
_cell_length_c 10.28414900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999822
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 194 | 194 | # generated using pymatgen
data_NaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51430988
_cell_length_b 4.51430988
_cell_length_c 10.28414900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
13 | 36,398 | mp-755297 | -1.742646 | 2.5515 | Li2CoO2 | 0.039063 | ['Co', 'Li', 'O'] | # generated using pymatgen
data_Li2CoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15302050
_cell_length_b 3.15302050
_cell_length_c 5.12425300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001056
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Li2CoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15302050
_cell_length_b 3.15302050
_cell_length_c 5.12425300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
14 | 43,580 | mp-1112148 | -1.157469 | 1.4011 | Cs2NaMoI6 | 0.071358 | ['Cs', 'I', 'Mo', 'Na'] | # generated using pymatgen
data_Cs2NaMoI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51144998
_cell_length_b 8.51144998
_cell_length_c 8.51144998
_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_Cs2NaMoI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.03700800
_cell_length_b 12.03700800
_cell_length_c 12.03700800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
15 | 44,826 | mp-20950 | -1.000601 | 0 | Nd(SiPt)2 | 0.076362 | ['Nd', 'Si', 'Pt'] | # generated using pymatgen
data_Nd(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82843910
_cell_length_b 5.82843910
_cell_length_c 5.82843910
_cell_angle_alpha 137.21871120
_cell_angle_beta 137.21871120
_cell_angle_gamma 62.10171091
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Nd(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25155200
_cell_length_b 4.25155200
_cell_length_c 9.98656200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
16 | 6,502 | mp-1019278 | -0.835395 | 0 | TbGeAu | 0 | ['Au', 'Ge', 'Tb'] | # generated using pymatgen
data_TbGeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48471018
_cell_length_b 4.48471018
_cell_length_c 7.38158900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000270
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_TbGeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48471018
_cell_length_b 4.48471018
_cell_length_c 7.38158900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
17 | 10,841 | mp-547792 | -2.053321 | 2.6838 | KSbO3 | 0 | ['K', 'O', 'Sb'] | # generated using pymatgen
data_KSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97041255
_cell_length_b 6.97041255
_cell_length_c 6.97041317
_cell_angle_alpha 46.25064804
_cell_angle_beta 46.25064804
_cell_angle_gamma 46.25064605
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 148 | 148 | # generated using pymatgen
data_KSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47517024
_cell_length_b 5.47517024
_cell_length_c 18.63725881
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
18 | 39,799 | mp-16341 | -0.275064 | 0 | Li2HgGe | 0.052238 | ['Li', 'Hg', 'Ge'] | # generated using pymatgen
data_Li2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57798608
_cell_length_b 4.57798608
_cell_length_c 4.57798608
_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_Li2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47425000
_cell_length_b 6.47425000
_cell_length_c 6.47425000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
19 | 32,670 | mp-1215947 | -0.507097 | 0 | YLu(BIr)8 | 0.026723 | ['B', 'Ir', 'Lu', 'Y'] | # generated using pymatgen
data_YLu(BIr)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39752700
_cell_length_b 5.39752700
_cell_length_c 7.45430100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 115 | 115 | # generated using pymatgen
data_YLu(BIr)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39752700
_cell_length_b 5.39752700
_cell_length_c 7.45430100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
20 | 34,263 | mp-1224950 | -0.229693 | 0 | FeCoSb4 | 0.030465 | ['Co', 'Fe', 'Sb'] | # generated using pymatgen
data_FeCoSb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27083900
_cell_length_b 5.74183700
_cell_length_c 6.47423013
_cell_angle_alpha 89.86441176
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_FeCoSb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74183700
_cell_length_b 3.27083900
_cell_length_c 6.47423013
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.13558824
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
21 | 8,456 | mp-867272 | -0.221279 | 0 | LiAlCu2 | 0 | ['Li', 'Al', 'Cu'] | # generated using pymatgen
data_LiAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15647407
_cell_length_b 4.15647407
_cell_length_c 4.15647407
_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_LiAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87814200
_cell_length_b 5.87814200
_cell_length_c 5.87814200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22 | 23,601 | mp-1185774 | -0.034071 | 0 | Mg2Sc | 0.005373 | ['Mg', 'Sc'] | # generated using pymatgen
data_Mg2Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45343521
_cell_length_b 8.45343521
_cell_length_c 5.17871400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.76735609
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Mg2Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25967000
_cell_length_b 16.58966000
_cell_length_c 5.17871400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
23 | 25,953 | mp-776164 | -2.821977 | 3.0526 | LiFeF4 | 0.009247 | ['F', 'Fe', 'Li'] | # generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77274800
_cell_length_b 5.64939900
_cell_length_c 5.65908464
_cell_angle_alpha 65.36232642
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64939900
_cell_length_b 4.77274800
_cell_length_c 5.65908464
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.63767358
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24 | 17,826 | mp-30875 | -0.333133 | 0.0452 | Ti2Sn | 0 | ['Ti', 'Sn'] | # generated using pymatgen
data_Ti2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75322646
_cell_length_b 4.75322646
_cell_length_c 5.64179400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000644
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Ti2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75322646
_cell_length_b 4.75322646
_cell_length_c 5.64179400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
25 | 11,244 | mp-15822 | -0.699879 | 0 | LiSmGe | 0 | ['Ge', 'Li', 'Sm'] | # generated using pymatgen
data_LiSmGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22309545
_cell_length_b 7.22309545
_cell_length_c 4.33438400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999500
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_LiSmGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22309545
_cell_length_b 7.22309545
_cell_length_c 4.33438400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26 | 40,065 | mp-1111567 | -3.297337 | 4.7378 | K2ScTlF6 | 0.054022 | ['F', 'K', 'Sc', 'Tl'] | # generated using pymatgen
data_K2ScTlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60952649
_cell_length_b 6.60952649
_cell_length_c 6.60952649
_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_K2ScTlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.34728200
_cell_length_b 9.34728200
_cell_length_c 9.34728200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27 | 41,855 | mp-684705 | -2.826178 | 1.3135 | CaLaMnMoO6 | 0.063149 | ['Ca', 'La', 'Mn', 'Mo', 'O'] | # generated using pymatgen
data_CaLaMnMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60984294
_cell_length_b 5.77462000
_cell_length_c 8.07235025
_cell_angle_alpha 89.99872078
_cell_angle_beta 90.72030227
_cell_angle_gamma 90.00005527
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 7 | 7 | # generated using pymatgen
data_CaLaMnMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60984294
_cell_length_b 5.77462000
_cell_length_c 9.77213395
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.31072381
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
28 | 11,793 | mp-2832 | -0.810392 | 0 | Cr2Se3 | 0 | ['Cr', 'Se'] | # generated using pymatgen
data_Cr2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94430285
_cell_length_b 6.94430285
_cell_length_c 6.94430231
_cell_angle_alpha 54.49979547
_cell_angle_beta 54.49979547
_cell_angle_gamma 54.49979337
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Cr2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35920799
_cell_length_b 6.35920799
_cell_length_c 17.68308450
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
29 | 8,957 | mp-865364 | -0.362179 | 0 | DyTaRu2 | 0 | ['Dy', 'Ta', 'Ru'] | # generated using pymatgen
data_DyTaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63105444
_cell_length_b 4.63105444
_cell_length_c 4.63105444
_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_DyTaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54930000
_cell_length_b 6.54930000
_cell_length_c 6.54930000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
30 | 18,692 | mp-12571 | -0.630917 | 0 | HfBeSi | 0 | ['Hf', 'Be', 'Si'] | # generated using pymatgen
data_HfBeSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70796845
_cell_length_b 3.70796845
_cell_length_c 7.13466800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000797
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_HfBeSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70796845
_cell_length_b 3.70796845
_cell_length_c 7.13466800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
31 | 36,251 | mp-1225679 | -0.614645 | 0 | ErGaNi | 0.039164 | ['Er', 'Ga', 'Ni'] | # generated using pymatgen
data_ErGaNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17836800
_cell_length_b 5.26181399
_cell_length_c 5.69279526
_cell_angle_alpha 93.14931318
_cell_angle_beta 111.52992972
_cell_angle_gamma 66.60635141
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_ErGaNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.65857150
_cell_length_b 4.17836800
_cell_length_c 6.77695710
_cell_angle_alpha 90.00000000
_cell_angle_beta 129.01497505
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
32 | 34,048 | mp-1102038 | -0.263293 | 2.9992 | MgH2 | 0.031086 | ['H', 'Mg'] | # generated using pymatgen
data_MgH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82323400
_cell_length_b 4.82323400
_cell_length_c 4.82323400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 205 | 205 | # generated using pymatgen
data_MgH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82323400
_cell_length_b 4.82323400
_cell_length_c 4.82323400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... |
33 | 23,613 | mp-1187002 | -0.204186 | 0 | Sm2MgCd | 0.005349 | ['Cd', 'Mg', 'Sm'] | # generated using pymatgen
data_Sm2MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41506899
_cell_length_b 5.41506899
_cell_length_c 5.41506899
_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_Sm2MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65806401
_cell_length_b 7.65806401
_cell_length_c 7.65806401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
34 | 20,763 | mp-15634 | -3.299204 | 0 | Cs2NaTiF6 | 0.000447 | ['Cs', 'F', 'Na', 'Ti'] | # generated using pymatgen
data_Cs2NaTiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.09355233
_cell_length_b 11.09355233
_cell_length_c 11.09355250
_cell_angle_alpha 33.45975831
_cell_angle_beta 33.45975831
_cell_angle_gamma 33.45976157
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 166 | 166 | # generated using pymatgen
data_Cs2NaTiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38677973
_cell_length_b 6.38677973
_cell_length_c 31.38836216
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
35 | 39,802 | mp-1667 | -0.097637 | 0 | Co2Ge | 0.052239 | ['Co', 'Ge'] | # generated using pymatgen
data_Co2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00527980
_cell_length_b 4.00527980
_cell_length_c 5.01504900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999672
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Co2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00527980
_cell_length_b 4.00527980
_cell_length_c 5.01504900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
36 | 8,830 | mp-29337 | -0.636772 | 1.4384 | Tl3BS3 | 0 | ['B', 'S', 'Tl'] | # generated using pymatgen
data_Tl3BS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.99077500
_cell_length_b 5.78985100
_cell_length_c 6.73770184
_cell_angle_alpha 81.83967598
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Tl3BS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78985100
_cell_length_b 9.99077500
_cell_length_c 6.73770184
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.16032402
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
37 | 37,554 | mp-1102002 | -0.417093 | 0.2624 | FeTe2 | 0.04491 | ['Fe', 'Te'] | # generated using pymatgen
data_FeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27132600
_cell_length_b 6.27132600
_cell_length_c 6.27132600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 205 | 205 | # generated using pymatgen
data_FeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27132600
_cell_length_b 6.27132600
_cell_length_c 6.27132600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... |
38 | 38,813 | mp-22592 | -2.702763 | 0 | CaTi4(CuO4)3 | 0.048858 | ['Ca', 'Cu', 'O', 'Ti'] | # generated using pymatgen
data_CaTi4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46060840
_cell_length_b 6.46060840
_cell_length_c 6.46060840
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 204 | 204 | # generated using pymatgen
data_CaTi4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46006800
_cell_length_b 7.46006800
_cell_length_c 7.46006800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
39 | 7,844 | mp-4482 | -2.060651 | 2.6801 | NaSbO3 | 0 | ['Na', 'O', 'Sb'] | # generated using pymatgen
data_NaSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24692579
_cell_length_b 6.24692579
_cell_length_c 6.24692584
_cell_angle_alpha 51.04890383
_cell_angle_beta 51.04890383
_cell_angle_gamma 51.04890581
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_NaSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38355391
_cell_length_b 5.38355391
_cell_length_c 16.25634587
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
40 | 14,455 | mp-867135 | -0.788547 | 0 | ScZnPd2 | 0 | ['Sc', 'Zn', 'Pd'] | # generated using pymatgen
data_ScZnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51476932
_cell_length_b 4.51476932
_cell_length_c 4.51476932
_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_ScZnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38484800
_cell_length_b 6.38484800
_cell_length_c 6.38484800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
41 | 20,717 | mp-1225810 | -0.284051 | 0 | Cu2SiTe3 | 0.000505 | ['Cu', 'Si', 'Te'] | # generated using pymatgen
data_Cu2SiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27816205
_cell_length_b 7.27816205
_cell_length_c 7.27816205
_cell_angle_alpha 146.02559477
_cell_angle_beta 131.79345016
_cell_angle_gamma 60.28180196
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_Cu2SiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25274800
_cell_length_b 5.94455000
_cell_length_c 12.58821000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
42 | 40,556 | mp-1103663 | -3.039155 | 3.5421 | Sr3TaHO6 | 0.058114 | ['H', 'O', 'Sr', 'Ta'] | # generated using pymatgen
data_Sr3TaHO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05399511
_cell_length_b 6.05399511
_cell_length_c 6.25969646
_cell_angle_alpha 117.08201015
_cell_angle_beta 117.08201015
_cell_angle_gamma 91.16456280
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 8 | 8 | # generated using pymatgen
data_Sr3TaHO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.47419173
_cell_length_b 8.64820800
_cell_length_c 6.25969646
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.57830419
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
43 | 21,769 | mp-1227942 | -0.542095 | 0 | BaGaGe | 0.001695 | ['Ba', 'Ga', 'Ge'] | # generated using pymatgen
data_BaGaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40690416
_cell_length_b 4.40690416
_cell_length_c 5.10441900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000239
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_BaGaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40690416
_cell_length_b 4.40690416
_cell_length_c 5.10441900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
44 | 10,626 | mp-1206487 | -0.612906 | 0.1452 | Yb(CdAs)2 | 0 | ['As', 'Cd', 'Yb'] | # generated using pymatgen
data_Yb(CdAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44173668
_cell_length_b 4.44173668
_cell_length_c 7.15215100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001015
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Yb(CdAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44173668
_cell_length_b 4.44173668
_cell_length_c 7.15215100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
45 | 18,677 | mp-1224823 | -0.384408 | 0 | GaGePt6 | 0 | ['Ga', 'Ge', 'Pt'] | # generated using pymatgen
data_GaGePt6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60317003
_cell_length_b 5.60317003
_cell_length_c 5.60317003
_cell_angle_alpha 120.21843726
_cell_angle_beta 120.21843726
_cell_angle_gamma 89.62207013
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 121 | 121 | # generated using pymatgen
data_GaGePt6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58466000
_cell_length_b 5.58466000
_cell_length_c 7.95017000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
46 | 29,899 | mp-643814 | -2.079848 | 3.3636 | Zn2SiH2O5 | 0.017628 | ['H', 'O', 'Si', 'Zn'] | # generated using pymatgen
data_Zn2SiH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37699687
_cell_length_b 7.37699687
_cell_length_c 7.37699687
_cell_angle_alpha 138.95339175
_cell_angle_beta 109.49138800
_cell_angle_gamma 84.96059701
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 44 | 44 | # generated using pymatgen
data_Zn2SiH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17257800
_cell_length_b 8.51610201
_cell_length_c 10.88121201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
47 | 22,392 | mp-568529 | -0.238061 | 0 | PrMg2Ni9 | 0.002693 | ['Mg', 'Ni', 'Pr'] | # generated using pymatgen
data_PrMg2Ni9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36100213
_cell_length_b 8.36100213
_cell_length_c 8.36100225
_cell_angle_alpha 34.05280085
_cell_angle_beta 34.05280085
_cell_angle_gamma 34.05279534
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_PrMg2Ni9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89640840
_cell_length_b 4.89640840
_cell_length_c 23.60577823
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
48 | 18,515 | mp-10626 | -1.010679 | 0 | Yb(SiRh)2 | 0 | ['Yb', 'Si', 'Rh'] | # generated using pymatgen
data_Yb(SiRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75164700
_cell_length_b 5.75164700
_cell_length_c 5.75164700
_cell_angle_alpha 138.23623239
_cell_angle_beta 138.23623239
_cell_angle_gamma 60.54138976
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Yb(SiRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10026400
_cell_length_b 4.10026400
_cell_length_c 9.93486000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
49 | 33,430 | mp-759676 | -2.5379 | 0 | V4O7F5 | 0.027527 | ['F', 'O', 'V'] | # generated using pymatgen
data_V4O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28666072
_cell_length_b 5.28666072
_cell_length_c 8.77785032
_cell_angle_alpha 75.06816131
_cell_angle_beta 75.06816131
_cell_angle_gamma 59.14546116
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_V4O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.19593399
_cell_length_b 5.21823000
_cell_length_c 8.77785032
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.23335434
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
50 | 35,434 | mp-754736 | -1.948739 | 3.1394 | BaSr3I8 | 0.035569 | ['Ba', 'I', 'Sr'] | # generated using pymatgen
data_BaSr3I8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.98925294
_cell_length_b 9.98925294
_cell_length_c 9.98925334
_cell_angle_alpha 131.88950878
_cell_angle_beta 131.88951506
_cell_angle_gamma 70.40358355
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_BaSr3I8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14358450
_cell_length_b 8.14358450
_cell_length_c 16.32497401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
51 | 4,950 | mp-862287 | -0.868894 | 0 | BeAlRh2 | 0 | ['Be', 'Al', 'Rh'] | # generated using pymatgen
data_BeAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11289649
_cell_length_b 4.11289649
_cell_length_c 4.11289649
_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_BeAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81651400
_cell_length_b 5.81651400
_cell_length_c 5.81651400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
52 | 9,109 | mp-1185135 | -1.031756 | 0 | KBr3 | 0 | ['Br', 'K'] | # generated using pymatgen
data_KBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45091005
_cell_length_b 6.45091005
_cell_length_c 7.71553300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000055
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 194 | 194 | # generated using pymatgen
data_KBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45091005
_cell_length_b 6.45091005
_cell_length_c 7.71553300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... |
53 | 14,405 | mp-676315 | -1.387993 | 0.1961 | Y2GeI2 | 0 | ['Ge', 'I', 'Y'] | # generated using pymatgen
data_Y2GeI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.01558905
_cell_length_b 11.01558905
_cell_length_c 11.01558957
_cell_angle_alpha 22.31521534
_cell_angle_beta 22.31521534
_cell_angle_gamma 22.31521375
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Y2GeI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26322020
_cell_length_b 4.26322020
_cell_length_c 32.21123581
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
54 | 3,854 | mp-550220 | -1.792285 | 1.6039 | CoGeO3 | 0 | ['Co', 'Ge', 'O'] | # generated using pymatgen
data_CoGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19232247
_cell_length_b 6.69275904
_cell_length_c 6.68997542
_cell_angle_alpha 85.64142762
_cell_angle_beta 81.64779130
_cell_angle_gamma 81.38299526
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_CoGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.81602422
_cell_length_b 9.09633211
_cell_length_c 5.19232247
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.60448939
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
55 | 32,391 | mp-571044 | -0.915204 | 0 | CeSi2Ir3 | 0.02541 | ['Ce', 'Si', 'Ir'] | # generated using pymatgen
data_CeSi2Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58174305
_cell_length_b 5.58174305
_cell_length_c 3.72460800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998869
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 191 | 191 | # generated using pymatgen
data_CeSi2Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58174305
_cell_length_b 5.58174305
_cell_length_c 3.72460800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
56 | 43,434 | mp-766870 | -1.852288 | 0 | Mn5O9F | 0.069792 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn5O9F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07527745
_cell_length_b 5.11510827
_cell_length_c 7.92404417
_cell_angle_alpha 109.76943269
_cell_angle_beta 78.26181952
_cell_angle_gamma 80.14996462
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_Mn5O9F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07527745
_cell_length_b 5.11510827
_cell_length_c 7.84447704
_cell_angle_alpha 71.91676734
_cell_angle_beta 71.51526351
_cell_angle_gamma 80.14996462
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
57 | 2,367 | mp-552963 | -3.261533 | 0.8289 | Pr2Ti2S2O5 | 0 | ['O', 'Pr', 'S', 'Ti'] | # generated using pymatgen
data_Pr2Ti2S2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.02598015
_cell_length_b 12.02598015
_cell_length_c 12.02598015
_cell_angle_alpha 161.39048286
_cell_angle_beta 161.39048286
_cell_angle_gamma 26.43617744
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 139 | 139 | # generated using pymatgen
data_Pr2Ti2S2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88886000
_cell_length_b 3.88886000
_cell_length_c 23.41474600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
58 | 28,013 | mp-1025252 | -1.974545 | 1.5642 | Cs2MnCl4 | 0.013961 | ['Cs', 'Mn', 'Cl'] | # generated using pymatgen
data_Cs2MnCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.30479919
_cell_length_b 9.30479919
_cell_length_c 9.30479919
_cell_angle_alpha 147.38676281
_cell_angle_beta 147.38676281
_cell_angle_gamma 46.79145607
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Cs2MnCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22515800
_cell_length_b 5.22515800
_cell_length_c 17.07959600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
59 | 8,897 | mp-570668 | -2.072924 | 0.282 | LaSe2 | 0 | ['La', 'Se'] | # generated using pymatgen
data_LaSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28006800
_cell_length_b 8.56277300
_cell_length_c 8.63809166
_cell_angle_alpha 89.78884712
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 14 | 14 | # generated using pymatgen
data_LaSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56277300
_cell_length_b 4.28006800
_cell_length_c 8.63809166
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.21115288
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
60 | 41,974 | mp-973935 | 0.061308 | 0 | OsN2 | 0.061308 | ['Os', 'N'] | # generated using pymatgen
data_OsN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82418889
_cell_length_b 2.82418889
_cell_length_c 4.96432300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99997393
_symmetry_Int_Tables_number 1
_chemical_formula_structural O... | 191 | 191 | # generated using pymatgen
data_OsN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82418889
_cell_length_b 2.82418889
_cell_length_c 4.96432300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural O... |
61 | 22,178 | mp-1217143 | -1.450797 | 0 | Ti3AgS6 | 0.002949 | ['Ag', 'S', 'Ti'] | # generated using pymatgen
data_Ti3AgS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31396105
_cell_length_b 7.31396105
_cell_length_c 7.31396110
_cell_angle_alpha 47.93670747
_cell_angle_beta 47.93670747
_cell_angle_gamma 47.93670688
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Ti3AgS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94233004
_cell_length_b 5.94233004
_cell_length_c 19.37814178
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
62 | 10,139 | mp-1206941 | -0.575991 | 0 | Rb(CoP)2 | 0 | ['Co', 'P', 'Rb'] | # generated using pymatgen
data_Rb(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44395854
_cell_length_b 7.44395854
_cell_length_c 7.44395854
_cell_angle_alpha 151.21017487
_cell_angle_beta 151.21017487
_cell_angle_gamma 41.16784648
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Rb(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70119400
_cell_length_b 3.70119400
_cell_length_c 13.93744600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
63 | 19,389 | mp-567807 | -0.824256 | 0 | TmZrSb | 0 | ['Tm', 'Zr', 'Sb'] | # generated using pymatgen
data_TmZrSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75117031
_cell_length_b 8.75117031
_cell_length_c 8.75117031
_cell_angle_alpha 151.83238088
_cell_angle_beta 151.83238088
_cell_angle_gamma 40.25813271
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_TmZrSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25903600
_cell_length_b 4.25903600
_cell_length_c 16.43329401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
64 | 9,922 | mp-862259 | -0.268877 | 0 | Sc3Al | 0 | ['Sc', 'Al'] | # generated using pymatgen
data_Sc3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31479981
_cell_length_b 6.31479981
_cell_length_c 5.04770800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999801
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Sc3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31479981
_cell_length_b 6.31479981
_cell_length_c 5.04770800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
65 | 37,995 | mvc-15303 | -1.859534 | 1.6831 | ReSbO6 | 0.04523 | ['O', 'Re', 'Sb'] | # generated using pymatgen
data_ReSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38235000
_cell_length_b 5.21642900
_cell_length_c 5.36350923
_cell_angle_alpha 89.98314299
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_ReSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21642900
_cell_length_b 7.38235000
_cell_length_c 5.36350923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.01685701
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
66 | 44,420 | mp-757085 | -2.005335 | 0.7183 | Li2CrCoO4 | 0.074939 | ['Co', 'Cr', 'Li', 'O'] | # generated using pymatgen
data_Li2CrCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91932662
_cell_length_b 5.91297756
_cell_length_c 5.90493751
_cell_angle_alpha 119.88880580
_cell_angle_beta 89.71660703
_cell_angle_gamma 60.06904494
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 74 | 74 | # generated using pymatgen
data_Li2CrCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89899614
_cell_length_b 5.91297756
_cell_length_c 8.38167529
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
67 | 16,020 | mp-1070264 | -0.806966 | 0 | La2Ni2I | 0 | ['I', 'La', 'Ni'] | # generated using pymatgen
data_La2Ni2I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16257415
_cell_length_b 4.16257415
_cell_length_c 8.91793300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000235
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_La2Ni2I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16257415
_cell_length_b 4.16257415
_cell_length_c 8.91793300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
68 | 15,515 | mp-1025227 | -2.27826 | 0.0009 | Rb2MgCl4 | 0 | ['Cl', 'Mg', 'Rb'] | # generated using pymatgen
data_Rb2MgCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93944748
_cell_length_b 8.93944748
_cell_length_c 8.93944748
_cell_angle_alpha 147.12756460
_cell_angle_beta 147.12756460
_cell_angle_gamma 47.17493906
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Rb2MgCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05879400
_cell_length_b 5.05879400
_cell_length_c 16.38511799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
69 | 2,263 | mp-18198 | -1.001831 | 0 | ScSnPt | 0 | ['Sc', 'Sn', 'Pt'] | # generated using pymatgen
data_ScSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45325820
_cell_length_b 7.45325820
_cell_length_c 7.43038400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000178
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 190 | 190 | # generated using pymatgen
data_ScSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45325820
_cell_length_b 7.45325820
_cell_length_c 7.43038400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
70 | 43,051 | mp-1095424 | -1.062684 | 0 | Pr4Mn2As5 | 0.070985 | ['As', 'Mn', 'Pr'] | # generated using pymatgen
data_Pr4Mn2As5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21571587
_cell_length_b 4.21571587
_cell_length_c 17.58173900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999795
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 164 | 164 | # generated using pymatgen
data_Pr4Mn2As5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21571587
_cell_length_b 4.21571587
_cell_length_c 17.58173900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
71 | 8,577 | mp-1102869 | -1.122477 | 0 | ZrSiIr | 0 | ['Ir', 'Si', 'Zr'] | # generated using pymatgen
data_ZrSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98954600
_cell_length_b 6.59133300
_cell_length_c 7.45097600
_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_ZrSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98954600
_cell_length_b 6.59133300
_cell_length_c 7.45097600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
72 | 24,645 | mp-1206898 | -0.718561 | 0 | Y2InGe2 | 0.007237 | ['Ge', 'In', 'Y'] | # generated using pymatgen
data_Y2InGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16407300
_cell_length_b 7.43411600
_cell_length_c 7.43411600
_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_Y2InGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43411600
_cell_length_b 7.43411600
_cell_length_c 4.16407300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
73 | 7,087 | mp-1113580 | -2.183913 | 3.7384 | Rb2TmAgCl6 | 0 | ['Ag', 'Cl', 'Rb', 'Tm'] | # generated using pymatgen
data_Rb2TmAgCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56327777
_cell_length_b 7.56327777
_cell_length_c 7.56327777
_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_Rb2TmAgCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.69609000
_cell_length_b 10.69609000
_cell_length_c 10.69609000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
74 | 11,284 | mp-21437 | -1.638986 | 1.2382 | Fe2TeO6 | 0 | ['Fe', 'O', 'Te'] | # generated using pymatgen
data_Fe2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67130400
_cell_length_b 4.67130300
_cell_length_c 9.21703600
_cell_angle_alpha 89.99999378
_cell_angle_beta 89.99998152
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 136 | 136 | # generated using pymatgen
data_Fe2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67130350
_cell_length_b 4.67130350
_cell_length_c 9.21703600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
75 | 43,527 | mp-1030682 | -0.545346 | 0.1049 | Te3MoWSe | 0.072169 | ['Mo', 'Se', 'Te', 'W'] | # generated using pymatgen
data_Te3MoWSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50032716
_cell_length_b 3.50032716
_cell_length_c 39.60830700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998413
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 156 | 156 | # generated using pymatgen
data_Te3MoWSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50032716
_cell_length_b 3.50032716
_cell_length_c 39.60830700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
76 | 29,723 | mp-1217696 | -0.158702 | 0 | Tb2AlFe3 | 0.017464 | ['Al', 'Fe', 'Tb'] | # generated using pymatgen
data_Tb2AlFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20789500
_cell_length_b 5.20789500
_cell_length_c 5.20789540
_cell_angle_alpha 60.29932858
_cell_angle_beta 60.29932858
_cell_angle_gamma 60.29933434
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Tb2AlFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23143987
_cell_length_b 5.23143987
_cell_length_c 12.72775147
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
77 | 38,267 | mp-1238847 | -1.038741 | 0 | Na(CrS2)2 | 0.045577 | ['Cr', 'Na', 'S'] | # generated using pymatgen
data_Na(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38705737
_cell_length_b 7.38705737
_cell_length_c 5.63204082
_cell_angle_alpha 72.40560559
_cell_angle_beta 72.40560559
_cell_angle_gamma 26.44711787
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Na(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.38237801
_cell_length_b 3.37959600
_cell_length_c 5.63204082
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.08995750
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
78 | 31,234 | mp-1221909 | -0.954273 | 0 | Mn2Cr3GaS8 | 0.022475 | ['Cr', 'Ga', 'Mn', 'S'] | # generated using pymatgen
data_Mn2Cr3GaS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19849742
_cell_length_b 7.19849742
_cell_length_c 7.19849725
_cell_angle_alpha 59.94379394
_cell_angle_beta 59.94379394
_cell_angle_gamma 59.94380280
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Mn2Cr3GaS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19238148
_cell_length_b 7.19238148
_cell_length_c 17.64013130
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
79 | 16,363 | mp-567580 | -0.442837 | 0 | PaC | 0 | ['Pa', 'C'] | # generated using pymatgen
data_PaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58809740
_cell_length_b 3.58809740
_cell_length_c 3.58809740
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PaC... | 225 | 225 | # generated using pymatgen
data_PaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07433601
_cell_length_b 5.07433601
_cell_length_c 5.07433601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PaC... |
80 | 16,655 | mp-1207855 | -0.601768 | 0 | V5Te8 | 0 | ['Te', 'V'] | # generated using pymatgen
data_V5Te8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40594495
_cell_length_b 7.40594495
_cell_length_c 8.99714599
_cell_angle_alpha 54.71035195
_cell_angle_beta 54.71035195
_cell_angle_gamma 64.33571348
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 12 | 12 | # generated using pymatgen
data_V5Te8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.53814600
_cell_length_b 7.88587200
_cell_length_c 8.99714599
_cell_angle_alpha 90.00000000
_cell_angle_beta 133.03740280
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
81 | 30,728 | mp-1223641 | -2.932797 | 0 | K2MgCuF6 | 0.021066 | ['Cu', 'F', 'K', 'Mg'] | # generated using pymatgen
data_K2MgCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76078700
_cell_length_b 5.76078700
_cell_length_c 4.07131500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_K2MgCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76078700
_cell_length_b 5.76078700
_cell_length_c 4.07131500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
82 | 27,187 | mp-1219073 | -0.24096 | 0 | SmFe2Co2B | 0.011689 | ['B', 'Co', 'Fe', 'Sm'] | # generated using pymatgen
data_SmFe2Co2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10556614
_cell_length_b 5.13788782
_cell_length_c 6.89040502
_cell_angle_alpha 89.99572991
_cell_angle_beta 89.99141012
_cell_angle_gamma 60.20788972
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 35 | 35 | # generated using pymatgen
data_SmFe2Co2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10556614
_cell_length_b 8.91766624
_cell_length_c 6.89040502
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
83 | 18,560 | mp-1102155 | -0.793785 | 0 | ErAlAu | 0 | ['Al', 'Au', 'Er'] | # generated using pymatgen
data_ErAlAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40107300
_cell_length_b 7.16491100
_cell_length_c 7.84053200
_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_ErAlAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40107300
_cell_length_b 7.16491100
_cell_length_c 7.84053200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
84 | 42,354 | mp-675739 | -1.854973 | 0 | Ce5CuSe8 | 0.065373 | ['Ce', 'Cu', 'Se'] | # generated using pymatgen
data_Ce5CuSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67891856
_cell_length_b 7.67891856
_cell_length_c 7.67891856
_cell_angle_alpha 110.44649867
_cell_angle_beta 110.44649867
_cell_angle_gamma 107.53779337
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 82 | 82 | # generated using pymatgen
data_Ce5CuSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75980800
_cell_length_b 8.75980800
_cell_length_c 9.07715200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
85 | 2,683 | mp-1221196 | -0.970256 | 0.5258 | Na4Eu(SiTe3)2 | 0 | ['Eu', 'Na', 'Si', 'Te'] | # generated using pymatgen
data_Na4Eu(SiTe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 5 | 5 | # generated using pymatgen
data_Na4Eu(SiTe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73248400
_cell_length_b 13.36564000
_cell_length_c 8.51669282
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.65170272
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
86 | 35,982 | mp-989588 | -0.576628 | 0 | LaOsN3 | 0.036805 | ['La', 'N', 'Os'] | # generated using pymatgen
data_LaOsN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57031831
_cell_length_b 5.57031831
_cell_length_c 5.57031855
_cell_angle_alpha 60.29869774
_cell_angle_beta 60.29869774
_cell_angle_gamma 60.29869398
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 167 | 167 | # generated using pymatgen
data_LaOsN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59544822
_cell_length_b 5.59544822
_cell_length_c 13.61355567
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
87 | 6,164 | mp-1209057 | -0.6506 | 0 | Sc2Au | 0 | ['Au', 'Sc'] | # generated using pymatgen
data_Sc2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68145000
_cell_length_b 6.61575400
_cell_length_c 8.39228400
_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_Sc2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68145000
_cell_length_b 6.61575400
_cell_length_c 8.39228400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
88 | 19,948 | mp-866106 | -0.592289 | 0 | Ba2HgPb | 0 | ['Ba', 'Hg', 'Pb'] | # generated using pymatgen
data_Ba2HgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06885567
_cell_length_b 6.06885567
_cell_length_c 6.06885567
_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_Ba2HgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.58265800
_cell_length_b 8.58265800
_cell_length_c 8.58265800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
89 | 7,457 | mp-864990 | -0.215196 | 0 | Mn2AlW | 0 | ['Mn', 'Al', 'W'] | # generated using pymatgen
data_Mn2AlW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17196536
_cell_length_b 4.17196536
_cell_length_c 4.17196536
_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_Mn2AlW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90004999
_cell_length_b 5.90004999
_cell_length_c 5.90004999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
90 | 18,180 | mp-1212860 | -4.235025 | 5.9275 | DyZrF7 | 0 | ['Dy', 'F', 'Zr'] | # generated using pymatgen
data_DyZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72633700
_cell_length_b 6.12361663
_cell_length_c 8.32249363
_cell_angle_alpha 102.08367094
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_DyZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12361663
_cell_length_b 5.72633700
_cell_length_c 8.32249363
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.08367094
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
91 | 26,547 | mp-1104668 | -1.008045 | 0 | Eu3As4 | 0.011198 | ['As', 'Eu'] | # generated using pymatgen
data_Eu3As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.44118687
_cell_length_b 9.22616407
_cell_length_c 7.92801408
_cell_angle_alpha 83.29725743
_cell_angle_beta 53.21493849
_cell_angle_gamma 43.48780409
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 43 | 43 | # generated using pymatgen
data_Eu3As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84375800
_cell_length_b 14.73988200
_cell_length_c 17.50254000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
92 | 27,907 | mp-694855 | -2.136065 | 1.3476 | Li2MoO3 | 0.013076 | ['Li', 'Mo', 'O'] | # generated using pymatgen
data_Li2MoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25244000
_cell_length_b 5.25957460
_cell_length_c 5.26166726
_cell_angle_alpha 70.46780074
_cell_angle_beta 60.40181278
_cell_angle_gamma 80.44670545
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_Li2MoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25244000
_cell_length_b 5.25957460
_cell_length_c 5.26166726
_cell_angle_alpha 70.46780074
_cell_angle_beta 60.40181278
_cell_angle_gamma 80.44670545
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
93 | 13,844 | mp-559417 | -3.143333 | 4.377 | LaB2ClO4 | 0 | ['B', 'Cl', 'La', 'O'] | # generated using pymatgen
data_LaB2ClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26681700
_cell_length_b 6.66958168
_cell_length_c 8.26601211
_cell_angle_alpha 98.07178974
_cell_angle_beta 89.28994773
_cell_angle_gamma 107.84470496
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 2 | 2 | # generated using pymatgen
data_LaB2ClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26681700
_cell_length_b 6.66958168
_cell_length_c 8.26601211
_cell_angle_alpha 98.07178974
_cell_angle_beta 89.28994773
_cell_angle_gamma 107.84470496
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
94 | 44,373 | mp-753397 | -1.814332 | 0 | Ga2CuO4 | 0.07575 | ['Cu', 'Ga', 'O'] | # generated using pymatgen
data_Ga2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95704653
_cell_length_b 5.95704653
_cell_length_c 5.95704653
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_Ga2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42453599
_cell_length_b 8.42453599
_cell_length_c 8.42453599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
95 | 42,265 | mp-1238828 | -1.122039 | 0.0218 | TiCrCuS4 | 0.064879 | ['Cr', 'Cu', 'S', 'Ti'] | # generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64981489
_cell_length_b 6.64981489
_cell_length_c 5.91427620
_cell_angle_alpha 64.34272587
_cell_angle_beta 64.34272587
_cell_angle_gamma 29.97461879
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_TiCrCuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.84721799
_cell_length_b 3.43935200
_cell_length_c 5.91427620
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.63047156
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
96 | 39,791 | mp-1518993 | -2.97408 | 3.3892 | SrCaNdSbO6 | 0.053036 | ['Ca', 'Nd', 'O', 'Sb', 'Sr'] | # generated using pymatgen
data_SrCaNdSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81929913
_cell_length_b 5.81929913
_cell_length_c 8.44257099
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 118 | 118 | # generated using pymatgen
data_SrCaNdSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81929913
_cell_length_b 5.81929913
_cell_length_c 8.44257099
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
97 | 19,428 | mp-7911 | -1.224797 | 1.3559 | KCuO | 0 | ['K', 'Cu', 'O'] | # generated using pymatgen
data_KCuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18001881
_cell_length_b 7.18001881
_cell_length_c 7.18001881
_cell_angle_alpha 98.59896441
_cell_angle_beta 98.59896441
_cell_angle_gamma 134.50448191
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 139 | 139 | # generated using pymatgen
data_KCuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.36425600
_cell_length_b 9.36425600
_cell_length_c 5.55266600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KC... |
98 | 29,123 | mp-1186678 | -0.336911 | 0 | PmZnHg2 | 0.016892 | ['Hg', 'Pm', 'Zn'] | # generated using pymatgen
data_PmZnHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09813948
_cell_length_b 5.09813948
_cell_length_c 5.09813948
_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_PmZnHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20985800
_cell_length_b 7.20985800
_cell_length_c 7.20985800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
99 | 30,077 | mp-1183895 | -0.48801 | 0 | Eu2GaHg | 0.019571 | ['Eu', 'Ga', 'Hg'] | # generated using pymatgen
data_Eu2GaHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43207915
_cell_length_b 5.43207915
_cell_length_c 5.43207915
_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_Eu2GaHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68212001
_cell_length_b 7.68212001
_cell_length_c 7.68212001
_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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