Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
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
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229
cif.conv
stringlengths
696
5.07k
25,300
42,275
mp-1247419
-0.280039
1.6955
Ge2SeN2
0.065152
['Ge', 'N', 'Se']
# generated using pymatgen data_Ge2SeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36475626 _cell_length_b 5.90307795 _cell_length_c 5.18323700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.62817274 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_Ge2SeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90307795 _cell_length_b 11.27803833 _cell_length_c 5.18323700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,301
13,121
mp-1187336
-0.449997
0
TbErIn2
0
['Er', 'In', 'Tb']
# generated using pymatgen data_TbErIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30464153 _cell_length_b 5.30464153 _cell_length_c 5.30464153 _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_TbErIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50189600 _cell_length_b 7.50189600 _cell_length_c 7.50189600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,302
12,848
mp-561902
-0.549593
0.4118
CsAg3S2
0
['Ag', 'Cs', 'S']
# generated using pymatgen data_CsAg3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44943654 _cell_length_b 8.44943654 _cell_length_c 9.16837108 _cell_angle_alpha 67.81114076 _cell_angle_beta 67.81114076 _cell_angle_gamma 30.02660612 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_CsAg3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.32204200 _cell_length_b 4.37754000 _cell_length_c 9.16837108 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.01720451 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,303
38,334
mp-27985
-3.475121
5.0892
YClO
0.046725
['Cl', 'O', 'Y']
# generated using pymatgen data_YClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93009300 _cell_length_b 3.93009300 _cell_length_c 6.73487700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YC...
129
129
# generated using pymatgen data_YClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93009300 _cell_length_b 3.93009300 _cell_length_c 6.73487700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YC...
25,304
27,515
mp-1026916
-1.081059
0.6843
MoSeS
0.013582
['Mo', 'S', 'Se']
# generated using pymatgen data_MoSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25647828 _cell_length_b 3.25647828 _cell_length_c 36.82155300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000572 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_MoSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25647828 _cell_length_b 3.25647828 _cell_length_c 36.82155300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,305
40,322
mp-25416
-2.51951
3.1097
LiPWO4F
0.054531
['F', 'Li', 'O', 'P', 'W']
# generated using pymatgen data_LiPWO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28562200 _cell_length_b 5.63568460 _cell_length_c 7.67367708 _cell_angle_alpha 106.77923687 _cell_angle_beta 108.12026302 _cell_angle_gamma 97.31728071 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_LiPWO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28562200 _cell_length_b 5.63568460 _cell_length_c 7.67367708 _cell_angle_alpha 106.77923687 _cell_angle_beta 108.12026302 _cell_angle_gamma 97.31728071 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,306
44,514
mp-1027376
-1.039595
0.5969
MoW(SeS)2
0.076382
['Mo', 'S', 'Se', 'W']
# generated using pymatgen data_MoW(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25312758 _cell_length_b 3.25312758 _cell_length_c 36.87998600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999137 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
156
156
# generated using pymatgen data_MoW(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25312758 _cell_length_b 3.25312758 _cell_length_c 36.87998600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,307
43,361
mp-753709
-1.903524
2.8307
BaCaI4
0.069034
['Ba', 'Ca', 'I']
# generated using pymatgen data_BaCaI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.22187180 _cell_length_b 9.22187180 _cell_length_c 7.76870923 _cell_angle_alpha 71.34484592 _cell_angle_beta 71.34484592 _cell_angle_gamma 110.41339715 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_BaCaI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.52432400 _cell_length_b 15.14629600 _cell_length_c 7.76870923 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.09527666 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,308
39,126
mp-1180216
-1.874451
0.474
MoO3
0.050123
['Mo', 'O']
# generated using pymatgen data_MoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63424700 _cell_length_b 7.63424700 _cell_length_c 3.79454400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.04108063 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
63
63
# generated using pymatgen data_MoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81762600 _cell_length_b 14.78352599 _cell_length_c 3.79454400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
25,309
12,609
mp-1188199
-2.386525
1.0438
Pr(YS2)3
0
['Pr', 'S', 'Y']
# generated using pymatgen data_Pr(YS2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00831100 _cell_length_b 11.14797500 _cell_length_c 11.36883034 _cell_angle_alpha 71.07795131 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
11
11
# generated using pymatgen data_Pr(YS2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.14797500 _cell_length_b 4.00831100 _cell_length_c 11.36883034 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.92204869 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,310
40,526
mp-1072398
0.050178
0
MnCu4Sn
0.057949
['Cu', 'Mn', 'Sn']
# generated using pymatgen data_MnCu4Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94511875 _cell_length_b 4.94511875 _cell_length_c 4.94511875 _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_MnCu4Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99345400 _cell_length_b 6.99345400 _cell_length_c 6.99345400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,311
38,375
mp-644527
-3.100804
0
LiY2Ti2S2O5
0.046506
['Li', 'O', 'S', 'Ti', 'Y']
# generated using pymatgen data_LiY2Ti2S2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.50295713 _cell_length_b 11.50295713 _cell_length_c 11.50295713 _cell_angle_alpha 160.68567777 _cell_angle_beta 160.17035018 _cell_angle_gamma 27.81932081 _symmetry_Int_Tables_number 1 _chemical_formula_str...
71
71
# generated using pymatgen data_LiY2Ti2S2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85929600 _cell_length_b 3.96125000 _cell_length_c 22.33128800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,312
14,358
mp-5190
-0.192217
0.3921
ZnSnAs2
0
['Zn', 'Sn', 'As']
# generated using pymatgen data_ZnSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29898129 _cell_length_b 7.29898129 _cell_length_c 7.29898129 _cell_angle_alpha 131.91820410 _cell_angle_beta 131.91820410 _cell_angle_gamma 70.35824534 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
122
122
# generated using pymatgen data_ZnSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94704400 _cell_length_b 5.94704400 _cell_length_c 11.93171600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,313
39,312
mp-20511
-0.739342
0
In(Mo3Se4)2
0.051522
['In', 'Mo', 'Se']
# generated using pymatgen data_In(Mo3Se4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90812890 _cell_length_b 6.90812890 _cell_length_c 6.90812893 _cell_angle_alpha 89.05162693 _cell_angle_beta 89.05162693 _cell_angle_gamma 89.05162894 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
148
148
# generated using pymatgen data_In(Mo3Se4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68838193 _cell_length_b 9.68838193 _cell_length_c 12.16165998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,314
4,348
mp-5078
-3.418356
5.0628
SrZnF4
0
['Sr', 'Zn', 'F']
# generated using pymatgen data_SrZnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10849684 _cell_length_b 7.10849684 _cell_length_c 7.10849684 _cell_angle_alpha 134.16504007 _cell_angle_beta 134.16504007 _cell_angle_gamma 66.83034403 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
88
88
# generated using pymatgen data_SrZnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53616800 _cell_length_b 5.53616800 _cell_length_c 11.86695399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,315
13,204
mp-1224680
-2.979001
0
Gd2SbO2
0
['Gd', 'O', 'Sb']
# generated using pymatgen data_Gd2SbO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27064775 _cell_length_b 7.27064775 _cell_length_c 7.27064775 _cell_angle_alpha 148.96848297 _cell_angle_beta 148.85622634 _cell_angle_gamma 44.54039873 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
44
44
# generated using pymatgen data_Gd2SbO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88984600 _cell_length_b 3.90357000 _cell_length_c 13.45661600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,316
3,834
mp-3435
-0.845242
0.3824
Nd3Cu3Sb4
0
['Cu', 'Nd', 'Sb']
# generated using pymatgen data_Nd3Cu3Sb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46219749 _cell_length_b 8.46219749 _cell_length_c 8.46219749 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
220
220
# generated using pymatgen data_Nd3Cu3Sb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.77130400 _cell_length_b 9.77130400 _cell_length_c 9.77130400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,317
37,857
mp-569858
0.043484
0
UBi2
0.043484
['U', 'Bi']
# generated using pymatgen data_UBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48357600 _cell_length_b 4.48357600 _cell_length_c 9.01748500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UB...
129
129
# generated using pymatgen data_UBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48357600 _cell_length_b 4.48357600 _cell_length_c 9.01748500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UB...
25,318
5,768
mp-2242
-0.501658
1.237
GeS
0
['Ge', 'S']
# generated using pymatgen data_GeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66588100 _cell_length_b 4.45453300 _cell_length_c 10.76962200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge...
62
62
# generated using pymatgen data_GeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66588100 _cell_length_b 4.45453300 _cell_length_c 10.76962200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge...
25,319
44,639
mp-1114591
-1.240243
0.6827
Rb2NaInI6
0.076959
['I', 'In', 'Na', 'Rb']
# generated using pymatgen data_Rb2NaInI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61751034 _cell_length_b 8.61751034 _cell_length_c 8.61751034 _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_Rb2NaInI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.18700000 _cell_length_b 12.18700000 _cell_length_c 12.18700000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,320
42,795
mp-1518254
-2.729785
1.9687
BaSrSmBiO6
0.066296
['Ba', 'Bi', 'O', 'Sm', 'Sr']
# generated using pymatgen data_BaSrSmBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19574408 _cell_length_b 6.19574408 _cell_length_c 6.19574408 _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_BaSrSmBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76210531 _cell_length_b 8.76210531 _cell_length_c 8.76210531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,321
31,192
mp-1215753
-0.526133
0
YUB8
0.021728
['B', 'U', 'Y']
# generated using pymatgen data_YUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08776212 _cell_length_b 7.08776212 _cell_length_c 3.98104000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.02879762 _symmetry_Int_Tables_number 1 _chemical_formula_structural YU...
65
65
# generated using pymatgen data_YUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.02109000 _cell_length_b 10.02612800 _cell_length_c 3.98104000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,322
41,664
mp-1213985
-3.168836
0.3392
CaAlSiO5
0.061827
['Al', 'Ca', 'O', 'Si']
# generated using pymatgen data_CaAlSiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40348661 _cell_length_b 5.40348661 _cell_length_c 7.03025483 _cell_angle_alpha 76.93014101 _cell_angle_beta 76.93014101 _cell_angle_gamma 106.97255978 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
15
15
# generated using pymatgen data_CaAlSiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43031400 _cell_length_b 8.68572000 _cell_length_c 7.03025483 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.33712919 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,323
31,293
mp-1246882
-1.157261
1.0271
Mg2Cr3InS8
0.021318
['Cr', 'In', 'Mg', 'S']
# generated using pymatgen data_Mg2Cr3InS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38659597 _cell_length_b 7.38717925 _cell_length_c 7.38739343 _cell_angle_alpha 59.24692937 _cell_angle_beta 59.24356273 _cell_angle_gamma 59.24356873 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Mg2Cr3InS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30265506 _cell_length_b 7.30265506 _cell_length_c 18.19711999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,324
31,695
mp-1218851
-3.529999
1.8153
Sr2CaTi3O9
0.02353
['Ca', 'O', 'Sr', 'Ti']
# generated using pymatgen data_Sr2CaTi3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92825800 _cell_length_b 3.92825800 _cell_length_c 11.78460200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
123
123
# generated using pymatgen data_Sr2CaTi3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92825800 _cell_length_b 3.92825800 _cell_length_c 11.78460200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,325
24,768
mp-12434
-0.69002
0
Ho2InGe2
0.007622
['Ge', 'Ho', 'In']
# generated using pymatgen data_Ho2InGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40257200 _cell_length_b 7.40257200 _cell_length_c 4.16997800 _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_Ho2InGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40257200 _cell_length_b 7.40257200 _cell_length_c 4.16997800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,326
4,830
mp-29752
-0.331871
0
NiGePt2
0
['Ni', 'Ge', 'Pt']
# generated using pymatgen data_NiGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54564240 _cell_length_b 5.42401172 _cell_length_c 5.37338911 _cell_angle_alpha 61.80694569 _cell_angle_beta 59.54529752 _cell_angle_gamma 58.64775680 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
69
69
# generated using pymatgen data_NiGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42146400 _cell_length_b 7.77271600 _cell_length_c 7.91211000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,327
40,937
mp-759568
-2.490116
3.8072
LiBiP2O7
0.057621
['Bi', 'Li', 'O', 'P']
# generated using pymatgen data_LiBiP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72453048 _cell_length_b 5.72453048 _cell_length_c 4.75012070 _cell_angle_alpha 82.54579911 _cell_angle_beta 82.54579911 _cell_angle_gamma 105.73343880 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
5
5
# generated using pymatgen data_LiBiP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91146800 _cell_length_b 9.12757399 _cell_length_c 4.75012070 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.41011832 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,328
33,398
mp-753532
-3.032293
0.2456
Nb2O3F2
0.028234
['F', 'Nb', 'O']
# generated using pymatgen data_Nb2O3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22157700 _cell_length_b 5.78254767 _cell_length_c 6.92921861 _cell_angle_alpha 104.35372904 _cell_angle_beta 109.57331695 _cell_angle_gamma 91.49588213 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_Nb2O3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22157700 _cell_length_b 5.78254767 _cell_length_c 6.92921861 _cell_angle_alpha 104.35372904 _cell_angle_beta 109.57331695 _cell_angle_gamma 91.49588213 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,329
33,159
mp-1215424
-0.181718
0.2219
ZnGeP2
0.028254
['Ge', 'P', 'Zn']
# generated using pymatgen data_ZnGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84694900 _cell_length_b 3.84694900 _cell_length_c 5.51597100 _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_ZnGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84694900 _cell_length_b 3.84694900 _cell_length_c 5.51597100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,330
40,857
mp-571400
-2.03795
0
Dy3Se4
0.058139
['Dy', 'Se']
# generated using pymatgen data_Dy3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52216675 _cell_length_b 7.52216675 _cell_length_c 7.52216675 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
220
220
# generated using pymatgen data_Dy3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68585000 _cell_length_b 8.68585000 _cell_length_c 8.68585000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,331
24,067
mp-1104570
-0.409589
0
Yb(In2Au)2
0.006081
['Au', 'In', 'Yb']
# generated using pymatgen data_Yb(In2Au)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61572800 _cell_length_b 7.76557600 _cell_length_c 9.73318496 _cell_angle_alpha 72.31781373 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
11
11
# generated using pymatgen data_Yb(In2Au)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76557600 _cell_length_b 4.61572800 _cell_length_c 9.73318496 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.68218627 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,332
11,014
mp-1029531
-0.830903
0
Sr3ReN3
0
['Sr', 'Re', 'N']
# generated using pymatgen data_Sr3ReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83008343 _cell_length_b 7.83008343 _cell_length_c 5.42781700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999519 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
176
176
# generated using pymatgen data_Sr3ReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83008343 _cell_length_b 7.83008343 _cell_length_c 5.42781700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,333
20,052
mp-1106297
-0.521508
0
Ho4Ga12Fe
0
['Fe', 'Ga', 'Ho']
# generated using pymatgen data_Ho4Ga12Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41283797 _cell_length_b 7.41283797 _cell_length_c 7.41283797 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
229
229
# generated using pymatgen data_Ho4Ga12Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55960800 _cell_length_b 8.55960800 _cell_length_c 8.55960800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,334
43,312
mp-504580
-1.796125
0.6898
VCuO3
0.069158
['V', 'Cu', 'O']
# generated using pymatgen data_VCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56175335 _cell_length_b 5.56175335 _cell_length_c 5.56175281 _cell_angle_alpha 53.42632745 _cell_angle_beta 53.42632745 _cell_angle_gamma 53.42632882 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
148
148
# generated using pymatgen data_VCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00028582 _cell_length_b 5.00028582 _cell_length_c 14.26146247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,335
3,571
mp-1104658
-0.433317
0
Sm(Re2Si)2
0
['Re', 'Si', 'Sm']
# generated using pymatgen data_Sm(Re2Si)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45619700 _cell_length_b 7.45619700 _cell_length_c 4.15268000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
136
136
# generated using pymatgen data_Sm(Re2Si)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45619700 _cell_length_b 7.45619700 _cell_length_c 4.15268000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,336
20,396
mp-675328
-1.913134
0
Ce4GeS3
0
['Ce', 'Ge', 'S']
# generated using pymatgen data_Ce4GeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07933499 _cell_length_b 7.07933499 _cell_length_c 7.07933499 _cell_angle_alpha 131.79383111 _cell_angle_beta 131.79383111 _cell_angle_gamma 70.55484378 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Ce4GeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78211200 _cell_length_b 5.78211200 _cell_length_c 11.55864600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,337
26,885
mp-560118
-2.675388
2.9465
YMoClO4
0.010839
['Cl', 'Mo', 'O', 'Y']
# generated using pymatgen data_YMoClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33738323 _cell_length_b 6.33738323 _cell_length_c 6.95026674 _cell_angle_alpha 75.95139624 _cell_angle_beta 75.95139624 _cell_angle_gamma 70.87797407 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_YMoClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32655600 _cell_length_b 7.34928200 _cell_length_c 6.95026674 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.33415440 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,338
27,357
mp-5318
-0.169336
0
MnCoSb
0.011789
['Mn', 'Co', 'Sb']
# generated using pymatgen data_MnCoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11895357 _cell_length_b 4.11895357 _cell_length_c 4.11895357 _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_MnCoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82508000 _cell_length_b 5.82508000 _cell_length_c 5.82508000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,339
24,356
mp-30625
-0.258606
0
Dy2Tl
0.006682
['Dy', 'Tl']
# generated using pymatgen data_Dy2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41406540 _cell_length_b 5.41406540 _cell_length_c 6.73281800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999266 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Dy2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41406540 _cell_length_b 5.41406540 _cell_length_c 6.73281800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,340
23,810
mp-20980
-3.33797
2.4555
NaNdTiO4
0.005789
['Na', 'Nd', 'O', 'Ti']
# generated using pymatgen data_NaNdTiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75920900 _cell_length_b 3.75920900 _cell_length_c 13.09858400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
129
129
# generated using pymatgen data_NaNdTiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75920900 _cell_length_b 3.75920900 _cell_length_c 13.09858400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,341
3,320
mp-30333
-0.553519
0
Tb(NiB)2
0
['B', 'Ni', 'Tb']
# generated using pymatgen data_Tb(NiB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97205436 _cell_length_b 4.97205436 _cell_length_c 6.84796953 _cell_angle_alpha 59.45905867 _cell_angle_beta 59.45905867 _cell_angle_gamma 64.38262929 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Tb(NiB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41544001 _cell_length_b 5.29770400 _cell_length_c 6.84796953 _cell_angle_alpha 90.00000000 _cell_angle_beta 126.90287298 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,342
23,910
mp-753595
-2.419043
2.1937
Mg3Fe2O5
0.005587
['Fe', 'Mg', 'O']
# generated using pymatgen data_Mg3Fe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30501795 _cell_length_b 5.30913080 _cell_length_c 7.99251847 _cell_angle_alpha 71.64722046 _cell_angle_beta 75.84492425 _cell_angle_gamma 98.89508358 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Mg3Fe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73887522 _cell_length_b 4.22154424 _cell_length_c 6.88268864 _cell_angle_alpha 90.00000000 _cell_angle_beta 134.88095874 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,343
23,044
mp-1104046
-2.563546
2.0437
Tb3Se2NO
0.004706
['N', 'O', 'Se', 'Tb']
# generated using pymatgen data_Tb3Se2NO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04700209 _cell_length_b 8.04700209 _cell_length_c 9.76545942 _cell_angle_alpha 82.85025727 _cell_angle_beta 82.85025727 _cell_angle_gamma 28.33431440 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Tb3Se2NO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.60451799 _cell_length_b 3.93903400 _cell_length_c 9.76545942 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.37524520 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,344
12,608
mp-1188183
-0.655026
0
LiSmGe2
0
['Ge', 'Li', 'Sm']
# generated using pymatgen data_LiSmGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95848500 _cell_length_b 7.81168200 _cell_length_c 10.55481800 _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_LiSmGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95848500 _cell_length_b 7.81168200 _cell_length_c 10.55481800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,345
18,357
mp-4608
-3.092881
7.2408
KPF6
0
['K', 'P', 'F']
# generated using pymatgen data_KPF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88672629 _cell_length_b 4.88672629 _cell_length_c 4.88672632 _cell_angle_alpha 97.77556296 _cell_angle_beta 97.77556296 _cell_angle_gamma 97.77556664 _symmetry_Int_Tables_number 1 _chemical_formula_structural KP...
148
148
# generated using pymatgen data_KPF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36354591 _cell_length_b 7.36354591 _cell_length_c 7.22879115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
25,346
37,844
mp-3890
0.043924
0
Sm2Cr2Fe15
0.043924
['Cr', 'Fe', 'Sm']
# generated using pymatgen data_Sm2Cr2Fe15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40080617 _cell_length_b 6.40080617 _cell_length_c 6.40080672 _cell_angle_alpha 82.28631614 _cell_angle_beta 82.28631614 _cell_angle_gamma 82.28632622 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Sm2Cr2Fe15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42272775 _cell_length_b 8.42272775 _cell_length_c 12.48622735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,347
41,618
mp-1183062
0.06222
0
AcDy3
0.06222
['Ac', 'Dy']
# generated using pymatgen data_AcDy3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16452600 _cell_length_b 5.16452600 _cell_length_c 5.16452600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
221
221
# generated using pymatgen data_AcDy3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16452600 _cell_length_b 5.16452600 _cell_length_c 5.16452600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
25,348
4,482
mp-977586
-0.292715
0
MgSc2In
0
['Mg', 'Sc', 'In']
# generated using pymatgen data_MgSc2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03530315 _cell_length_b 5.03530315 _cell_length_c 5.03530315 _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_MgSc2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12099401 _cell_length_b 7.12099401 _cell_length_c 7.12099401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,349
15,928
mp-7684
-0.517381
1.192
Tl3AsSe3
0
['As', 'Se', 'Tl']
# generated using pymatgen data_Tl3AsSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40150600 _cell_length_b 6.40150600 _cell_length_c 6.40150616 _cell_angle_alpha 106.68506667 _cell_angle_beta 106.68506667 _cell_angle_gamma 106.68506134 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
160
160
# generated using pymatgen data_Tl3AsSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27082025 _cell_length_b 10.27082025 _cell_length_c 7.23493381 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,350
34,904
mp-753785
-3.260546
3.2785
NbOF3
0.0337
['F', 'Nb', 'O']
# generated using pymatgen data_NbOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35749100 _cell_length_b 9.35749100 _cell_length_c 3.86005500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
136
136
# generated using pymatgen data_NbOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35749100 _cell_length_b 9.35749100 _cell_length_c 3.86005500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,351
32,986
mp-996985
-0.740604
1.3512
HAuO2
0.026166
['Au', 'H', 'O']
# generated using pymatgen data_HAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10278000 _cell_length_b 4.57645000 _cell_length_c 7.35293000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
31
31
# generated using pymatgen data_HAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10278000 _cell_length_b 4.57645000 _cell_length_c 7.35293000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
25,352
28,521
mp-1078155
-0.377352
0
SnPPt5
0.016111
['P', 'Pt', 'Sn']
# generated using pymatgen data_SnPPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99595400 _cell_length_b 3.99595400 _cell_length_c 7.16021900 _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_SnPPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99595400 _cell_length_b 3.99595400 _cell_length_c 7.16021900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,353
13,055
mp-1101797
-0.318716
0
YFeCo3B
0
['B', 'Co', 'Fe', 'Y']
# generated using pymatgen data_YFeCo3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03469200 _cell_length_b 5.03469185 _cell_length_c 6.82510700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000098 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_YFeCo3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03469192 _cell_length_b 5.03469192 _cell_length_c 6.82510700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,354
4,549
mp-1080611
-0.362561
0
CaIn2Ni
0
['Ca', 'In', 'Ni']
# generated using pymatgen data_CaIn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63990697 _cell_length_b 5.63990697 _cell_length_c 7.68946200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.35805127 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_CaIn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37491000 _cell_length_b 10.39684399 _cell_length_c 7.68946200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,355
32,748
mp-1225116
-0.439593
0
EuYAl4
0.027023
['Al', 'Eu', 'Y']
# generated using pymatgen data_EuYAl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63345891 _cell_length_b 5.63345891 _cell_length_c 5.63345891 _cell_angle_alpha 90.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
216
216
# generated using pymatgen data_EuYAl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96691399 _cell_length_b 7.96691399 _cell_length_c 7.96691399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,356
26,770
mp-1226471
-0.435974
0
CeZnGa3
0.010981
['Ce', 'Ga', 'Zn']
# generated using pymatgen data_CeZnGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28276000 _cell_length_b 4.28276000 _cell_length_c 6.17231494 _cell_angle_alpha 69.70015940 _cell_angle_beta 69.70015940 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_CeZnGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28276000 _cell_length_b 4.28276000 _cell_length_c 10.75666400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,357
17,190
mp-1220313
-2.911821
0
Nd2SbO2
0
['Nd', 'O', 'Sb']
# generated using pymatgen data_Nd2SbO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47861866 _cell_length_b 7.47861866 _cell_length_c 7.47861866 _cell_angle_alpha 148.96709829 _cell_angle_beta 148.96709829 _cell_angle_gamma 44.45973804 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Nd2SbO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00128600 _cell_length_b 4.00128600 _cell_length_c 13.84551801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,358
39,022
mp-1029234
-1.084099
0.6266
MoW3(SeS3)2
0.050876
['Mo', 'S', 'Se', 'W']
# generated using pymatgen data_MoW3(SeS3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22158436 _cell_length_b 3.22158436 _cell_length_c 36.37825500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000739 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
156
156
# generated using pymatgen data_MoW3(SeS3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22158436 _cell_length_b 3.22158436 _cell_length_c 36.37825500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,359
28,826
mp-21345
-0.835622
0
LaGe
0.016156
['La', 'Ge']
# generated using pymatgen data_LaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14114100 _cell_length_b 6.12078600 _cell_length_c 8.53301800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La...
62
62
# generated using pymatgen data_LaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14114100 _cell_length_b 6.12078600 _cell_length_c 8.53301800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La...
25,360
36,355
mp-571419
-0.348177
0
Zr2Al4C5
0.038662
['Zr', 'Al', 'C']
# generated using pymatgen data_Zr2Al4C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.87383771 _cell_length_b 13.87383771 _cell_length_c 13.87383764 _cell_angle_alpha 13.90344802 _cell_angle_beta 13.90344802 _cell_angle_gamma 13.90344570 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
166
166
# generated using pymatgen data_Zr2Al4C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35838427 _cell_length_b 3.35838427 _cell_length_c 41.21303329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,361
28,658
mp-1210011
-0.19784
0
NdGaCo4
0.015196
['Co', 'Ga', 'Nd']
# generated using pymatgen data_NdGaCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72686767 _cell_length_b 8.72686767 _cell_length_c 4.02175300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999748 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_NdGaCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72686767 _cell_length_b 8.72686767 _cell_length_c 4.02175300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,362
17,641
mp-1206097
-2.540306
2.4114
Ba2ZnMoO6
0
['Ba', 'Mo', 'O', 'Zn']
# generated using pymatgen data_Ba2ZnMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82712273 _cell_length_b 5.82712273 _cell_length_c 5.82712273 _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_Ba2ZnMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24079599 _cell_length_b 8.24079599 _cell_length_c 8.24079599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,363
6,167
mp-1209852
-0.828522
0
NdAs2Pd3
0
['As', 'Nd', 'Pd']
# generated using pymatgen data_NdAs2Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15496800 _cell_length_b 8.65753316 _cell_length_c 10.08934438 _cell_angle_alpha 107.50624749 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.88432505 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_NdAs2Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.80915760 _cell_length_b 4.15496800 _cell_length_c 10.08934438 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.05099403 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,364
27,033
mp-1100997
-0.45378
0
TlCr5Te8
0.012515
['Cr', 'Te', 'Tl']
# generated using pymatgen data_TlCr5Te8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12184258 _cell_length_b 9.47637743 _cell_length_c 10.36956169 _cell_angle_alpha 104.06281960 _cell_angle_beta 101.27229766 _cell_angle_gamma 90.24114337 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
1
1
# generated using pymatgen data_TlCr5Te8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12184258 _cell_length_b 9.47637743 _cell_length_c 10.36956169 _cell_angle_alpha 104.06281960 _cell_angle_beta 101.27229766 _cell_angle_gamma 90.24114337 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,365
33,383
mp-675800
-0.757087
0.6735
Li5TiP3
0.028075
['Li', 'P', 'Ti']
# generated using pymatgen data_Li5TiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16223988 _cell_length_b 7.16223988 _cell_length_c 8.23731155 _cell_angle_alpha 73.31453419 _cell_angle_beta 73.31453419 _cell_angle_gamma 48.48022540 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Li5TiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.06153201 _cell_length_b 5.88108000 _cell_length_c 8.23731155 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.35354283 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,366
42,065
mp-1112160
-1.369457
0
K2InCuBr6
0.064187
['Br', 'Cu', 'In', 'K']
# generated using pymatgen data_K2InCuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62368449 _cell_length_b 7.62368449 _cell_length_c 7.62368449 _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_K2InCuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.78151800 _cell_length_b 10.78151800 _cell_length_c 10.78151800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,367
44,204
mp-1220240
-0.360087
0
Nd5CoSi2
0.075423
['Co', 'Nd', 'Si']
# generated using pymatgen data_Nd5CoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82698000 _cell_length_b 8.78875006 _cell_length_c 7.86403847 _cell_angle_alpha 63.73519780 _cell_angle_beta 63.23671519 _cell_angle_gamma 53.02808702 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
69
69
# generated using pymatgen data_Nd5CoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.06071000 _cell_length_b 11.18182000 _cell_length_c 13.66123000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,368
10,044
mp-1095437
-2.86253
3.9996
LuSeO3F
0
['F', 'Lu', 'O', 'Se']
# generated using pymatgen data_LuSeO3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92674700 _cell_length_b 4.29940100 _cell_length_c 6.52822166 _cell_angle_alpha 84.71402932 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_LuSeO3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29940100 _cell_length_b 6.92674700 _cell_length_c 6.52822166 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.28597068 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,369
1,366
mp-37829
-2.132008
1.4405
La5TlSe8
0
['La', 'Se', 'Tl']
# generated using pymatgen data_La5TlSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94353426 _cell_length_b 7.94353426 _cell_length_c 7.94353426 _cell_angle_alpha 109.17337785 _cell_angle_beta 109.17337785 _cell_angle_gamma 110.06856264 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
82
82
# generated using pymatgen data_La5TlSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20608800 _cell_length_b 9.20608800 _cell_length_c 9.10466000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,370
283
mp-1102413
-0.899589
0
GdGeIr
0
['Gd', 'Ge', 'Ir']
# generated using pymatgen data_GdGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36384100 _cell_length_b 6.98141000 _cell_length_c 7.61977500 _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_GdGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36384100 _cell_length_b 6.98141000 _cell_length_c 7.61977500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,371
37,171
mp-1210001
-2.518469
0
NaTi4(CuO4)3
0.041992
['Cu', 'Na', 'O', 'Ti']
# generated using pymatgen data_NaTi4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43475062 _cell_length_b 6.43475062 _cell_length_c 6.43475062 _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_NaTi4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43021001 _cell_length_b 7.43021001 _cell_length_c 7.43021001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,372
26,256
mp-1226798
-0.349386
0.0099
CdIn4As4S
0.010311
['As', 'Cd', 'In', 'S']
# generated using pymatgen data_CdIn4As4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35606910 _cell_length_b 4.35606910 _cell_length_c 17.89518586 _cell_angle_alpha 83.00916115 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
160
160
# generated using pymatgen data_CdIn4As4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35606910 _cell_length_b 4.35606910 _cell_length_c 53.15273350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,373
12,331
mp-4187
-0.81864
2.639
Ge2N2O
0
['Ge', 'N', 'O']
# generated using pymatgen data_Ge2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54408233 _cell_length_b 5.54408233 _cell_length_c 5.17655800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.49879236 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_Ge2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83484600 _cell_length_b 9.42878400 _cell_length_c 5.17655800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,374
39,234
mp-1224426
-0.809674
0
HfAlIr
0.050113
['Al', 'Hf', 'Ir']
# generated using pymatgen data_HfAlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32297923 _cell_length_b 5.32297923 _cell_length_c 8.22219200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.53238015 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_HfAlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36055800 _cell_length_b 9.19787201 _cell_length_c 8.22219200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,375
14,739
mp-15622
-1.366644
0.6109
HfSe3
0
['Hf', 'Se']
# generated using pymatgen data_HfSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74951800 _cell_length_b 5.44819600 _cell_length_c 10.19817641 _cell_angle_alpha 83.81959539 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_HfSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44819600 _cell_length_b 3.74951800 _cell_length_c 10.19817641 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.18040461 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,376
14,051
mp-1095053
-0.926533
0
ThSnRh
0
['Rh', 'Sn', 'Th']
# generated using pymatgen data_ThSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59642026 _cell_length_b 7.59642026 _cell_length_c 4.13101200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000228 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_ThSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59642026 _cell_length_b 7.59642026 _cell_length_c 4.13101200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,377
20,670
mp-1219205
-4.040586
3.5041
Sm3SOF5
0.000796
['F', 'O', 'S', 'Sm']
# generated using pymatgen data_Sm3SOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78271000 _cell_length_b 9.60917400 _cell_length_c 9.65705747 _cell_angle_alpha 60.39839641 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_Sm3SOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60917400 _cell_length_b 3.78271000 _cell_length_c 9.65705747 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.60160359 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,378
39,227
mp-1223119
-2.363847
1.6782
La3SiN3O2
0.050201
['La', 'N', 'O', 'Si']
# generated using pymatgen data_La3SiN3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82709737 _cell_length_b 6.82709737 _cell_length_c 7.41288064 _cell_angle_alpha 62.05498068 _cell_angle_beta 62.05498068 _cell_angle_gamma 88.98774506 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
42
42
# generated using pymatgen data_La3SiN3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.56931002 _cell_length_b 9.73988397 _cell_length_c 11.17755800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,379
13,477
mp-945077
-1.249628
0
YTe3
0
['Te', 'Y']
# generated using pymatgen data_YTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.19940885 _cell_length_b 13.19940885 _cell_length_c 4.34712200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 161.04640257 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_YTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34651800 _cell_length_b 26.03853600 _cell_length_c 4.34712200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
25,380
2,130
mp-1186915
-0.003491
0
ReTc
0
['Re', 'Tc']
# generated using pymatgen data_ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76928821 _cell_length_b 2.76928821 _cell_length_c 4.46464400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000500 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
187
187
# generated using pymatgen data_ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76928821 _cell_length_b 2.76928821 _cell_length_c 4.46464400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
25,381
8,533
mp-1078394
-2.864402
1.4518
Ba2LuBiO6
0
['Ba', 'Bi', 'Lu', 'O']
# generated using pymatgen data_Ba2LuBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09049933 _cell_length_b 6.09049933 _cell_length_c 6.09049864 _cell_angle_alpha 60.03920328 _cell_angle_beta 60.03920328 _cell_angle_gamma 60.03920386 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_Ba2LuBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09410780 _cell_length_b 6.09410780 _cell_length_c 14.91419346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,382
5,063
mp-1103152
-1.967385
3.3083
CsBrF4
0
['Br', 'Cs', 'F']
# generated using pymatgen data_CsBrF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71493071 _cell_length_b 7.71493071 _cell_length_c 7.71493071 _cell_angle_alpha 135.28960729 _cell_angle_beta 126.18246842 _cell_angle_gamma 72.48048622 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
71
71
# generated using pymatgen data_CsBrF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86870600 _cell_length_b 6.98311000 _cell_length_c 12.44488200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,383
26,054
mp-1112474
-2.728181
2.8775
K2CrAgF6
0.009821
['Ag', 'Cr', 'F', 'K']
# generated using pymatgen data_K2CrAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13102400 _cell_length_b 6.13102354 _cell_length_c 6.13102384 _cell_angle_alpha 59.99999997 _cell_angle_beta 59.99999913 _cell_angle_gamma 59.99999750 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
225
225
# generated using pymatgen data_K2CrAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67057693 _cell_length_b 8.67057693 _cell_length_c 8.67057693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,384
29,556
mp-1104474
-0.200249
0
Ce(Al2Cr)4
0.018187
['Al', 'Ce', 'Cr']
# generated using pymatgen data_Ce(Al2Cr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02367000 _cell_length_b 6.84941496 _cell_length_c 6.84941496 _cell_angle_alpha 82.27113371 _cell_angle_beta 68.48636939 _cell_angle_gamma 68.48636939 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Ce(Al2Cr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01167800 _cell_length_b 9.01167800 _cell_length_c 5.02367000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,385
13,557
mp-1095062
-2.466982
0.3693
Rb2Pu(Cl2O)2
0
['Cl', 'O', 'Pu', 'Rb']
# generated using pymatgen data_Rb2Pu(Cl2O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78991231 _cell_length_b 7.21457690 _cell_length_c 7.21457690 _cell_angle_alpha 63.44591825 _cell_angle_beta 88.99315701 _cell_angle_gamma 88.99315701 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
12
12
# generated using pymatgen data_Rb2Pu(Cl2O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.27344512 _cell_length_b 7.58703000 _cell_length_c 5.78991231 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.18370824 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,386
24,987
mp-989602
-0.95145
0
LaReN3
0.007642
['La', 'N', 'Re']
# generated using pymatgen data_LaReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96989000 _cell_length_b 3.96989000 _cell_length_c 3.96989000 _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_LaReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96989000 _cell_length_b 3.96989000 _cell_length_c 3.96989000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,387
31,309
mp-13446
-0.50122
0
Co2P
0.022114
['Co', 'P']
# generated using pymatgen data_Co2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72631812 _cell_length_b 5.72631812 _cell_length_c 3.40791600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000142 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
189
189
# generated using pymatgen data_Co2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72631812 _cell_length_b 5.72631812 _cell_length_c 3.40791600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
25,388
36,893
mp-684904
-1.208222
0.3822
K2O
0.039636
['K', 'O']
# generated using pymatgen data_K2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22695334 _cell_length_b 5.22695334 _cell_length_c 7.59035953 _cell_angle_alpha 70.34957383 _cell_angle_beta 70.34957383 _cell_angle_gamma 90.03292635 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2O...
15
15
# generated using pymatgen data_K2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38990400 _cell_length_b 7.39415200 _cell_length_c 7.59035953 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.40553723 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2...
25,389
15,499
mvc-11733
-3.369427
1.7391
La2MgVO6
0
['La', 'Mg', 'O', 'V']
# generated using pymatgen data_La2MgVO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52165846 _cell_length_b 5.52165846 _cell_length_c 5.52165838 _cell_angle_alpha 61.22105014 _cell_angle_beta 61.22105014 _cell_angle_gamma 61.22105368 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_La2MgVO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62325183 _cell_length_b 5.62325183 _cell_length_c 13.39908672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,390
32,615
mp-1185767
-0.522036
0
Mg2IrPd
0.025701
['Ir', 'Mg', 'Pd']
# generated using pymatgen data_Mg2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44951185 _cell_length_b 4.44951185 _cell_length_c 4.44951185 _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_Mg2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29256000 _cell_length_b 6.29256000 _cell_length_c 6.29256000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,391
22,858
mp-542729
-0.432917
0
Dy3Ni13B2
0.003915
['B', 'Dy', 'Ni']
# generated using pymatgen data_Dy3Ni13B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92826329 _cell_length_b 4.92826329 _cell_length_c 10.90637400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999046 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
191
191
# generated using pymatgen data_Dy3Ni13B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92826329 _cell_length_b 4.92826329 _cell_length_c 10.90637400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,392
31,504
mp-1019322
-0.362999
1.1671
Te2W
0.024206
['Te', 'W']
# generated using pymatgen data_Te2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55287971 _cell_length_b 3.55287971 _cell_length_c 15.11730800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999457 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Te2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55287971 _cell_length_b 3.55287971 _cell_length_c 15.11730800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,393
29,156
mp-1206593
-0.708995
0
ErPd2Pb
0.016734
['Er', 'Pb', 'Pd']
# generated using pymatgen data_ErPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85425977 _cell_length_b 4.85425977 _cell_length_c 4.85425977 _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_ErPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86496000 _cell_length_b 6.86496000 _cell_length_c 6.86496000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,394
13,010
mp-1025193
-0.358145
0
HfGa5Co
0
['Hf', 'Ga', 'Co']
# generated using pymatgen data_HfGa5Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14095200 _cell_length_b 4.14095200 _cell_length_c 6.63491300 _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_HfGa5Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14095200 _cell_length_b 4.14095200 _cell_length_c 6.63491300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,395
24,310
mp-1566
0.006496
0
SmFe5
0.006496
['Sm', 'Fe']
# generated using pymatgen data_SmFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08874800 _cell_length_b 5.08874796 _cell_length_c 3.94479400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000023 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_SmFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08874798 _cell_length_b 5.08874798 _cell_length_c 3.94479400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,396
27,097
mp-1184888
-0.053407
0
HoMg3
0.011737
['Ho', 'Mg']
# generated using pymatgen data_HoMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65271012 _cell_length_b 6.65271012 _cell_length_c 5.19008300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000117 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_HoMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65271012 _cell_length_b 6.65271012 _cell_length_c 5.19008300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,397
44,862
mp-677075
-1.875389
1.4052
Gd2CdS4
0.078185
['Cd', 'Gd', 'S']
# generated using pymatgen data_Gd2CdS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33415593 _cell_length_b 7.33415593 _cell_length_c 7.33415593 _cell_angle_alpha 110.40187037 _cell_angle_beta 110.40187037 _cell_angle_gamma 107.62553760 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
122
122
# generated using pymatgen data_Gd2CdS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37120800 _cell_length_b 8.37120800 _cell_length_c 8.66055000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,398
27,058
mp-1106290
-2.354091
0.6267
Er2S3
0.012393
['Er', 'S']
# generated using pymatgen data_Er2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83776200 _cell_length_b 10.42032500 _cell_length_c 10.56962500 _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_Er2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83776200 _cell_length_b 10.42032500 _cell_length_c 10.56962500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,399
42,529
mp-1094075
0.06772
1.3057
P
0.06772
['P']
# generated using pymatgen data_P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.80988200 _cell_length_b 5.59831800 _cell_length_c 6.34420666 _cell_angle_alpha 76.07025759 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P _c...
6
6
# generated using pymatgen data_P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59831800 _cell_length_b 19.80988200 _cell_length_c 6.34420666 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.92974241 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P _...