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
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0.08
elements
stringlengths
5
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cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
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cif.conv
stringlengths
696
5.07k
25,200
20,398
mp-680676
-1.659769
0.8911
K2Dy4Cu4S9
0.000103
['Cu', 'Dy', 'K', 'S']
# generated using pymatgen data_K2Dy4Cu4S9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95073900 _cell_length_b 7.16353593 _cell_length_c 15.18898003 _cell_angle_alpha 93.46360923 _cell_angle_beta 97.35098314 _cell_angle_gamma 105.96722707 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
5
5
# generated using pymatgen data_K2Dy4Cu4S9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.77432530 _cell_length_b 3.95073900 _cell_length_c 15.92345416 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.73421063 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,201
9,499
mp-999491
-1.870328
0.0746
NaCeSe2
0
['Ce', 'Na', 'Se']
# generated using pymatgen data_NaCeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38522546 _cell_length_b 7.38522546 _cell_length_c 7.38522530 _cell_angle_alpha 33.85147250 _cell_angle_beta 33.85147250 _cell_angle_gamma 33.85147130 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_NaCeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30015005 _cell_length_b 4.30015005 _cell_length_c 20.86624348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,202
6,037
mp-1078326
-0.792147
0
Ca2GePd2
0
['Ca', 'Ge', 'Pd']
# generated using pymatgen data_Ca2GePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.25317812 _cell_length_b 8.24025626 _cell_length_c 5.78495455 _cell_angle_alpha 80.49345538 _cell_angle_beta 61.43828392 _cell_angle_gamma 38.06826070 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
43
43
# generated using pymatgen data_Ca2GePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61181200 _cell_length_b 10.11782400 _cell_length_c 15.49564000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,203
19,615
mp-1187922
-0.427858
0
ZnInRh2
0
['In', 'Rh', 'Zn']
# generated using pymatgen data_ZnInRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44292303 _cell_length_b 4.44292303 _cell_length_c 4.44292303 _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_ZnInRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28324201 _cell_length_b 6.28324201 _cell_length_c 6.28324201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,204
15,213
mp-12403
-3.254214
8.2555
LiBF4
0
['Li', 'B', 'F']
# generated using pymatgen data_LiBF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99485584 _cell_length_b 4.99485584 _cell_length_c 11.23342500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999789 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
152
152
# generated using pymatgen data_LiBF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99485584 _cell_length_b 4.99485584 _cell_length_c 11.23342500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,205
38,049
mp-1105487
-0.329052
0
Fe4CoSiB2
0.04667
['B', 'Co', 'Fe', 'Si']
# generated using pymatgen data_Fe4CoSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47548200 _cell_length_b 5.47548200 _cell_length_c 6.43907945 _cell_angle_alpha 115.16179390 _cell_angle_beta 115.16179390 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
140
140
# generated using pymatgen data_Fe4CoSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47548200 _cell_length_b 5.47548200 _cell_length_c 10.29005201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,206
44,701
mp-1216604
-0.266165
0
TmAlCo4
0.076143
['Al', 'Co', 'Tm']
# generated using pymatgen data_TmAlCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01839873 _cell_length_b 5.01839873 _cell_length_c 3.89239500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000966 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_TmAlCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01839873 _cell_length_b 5.01839873 _cell_length_c 3.89239500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,207
38,703
mp-1220741
-3.372325
2.3705
NaLaTa2O7
0.048535
['La', 'Na', 'O', 'Ta']
# generated using pymatgen data_NaLaTa2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21002991 _cell_length_b 11.21002991 _cell_length_c 11.21002991 _cell_angle_alpha 159.83224138 _cell_angle_beta 159.83224138 _cell_angle_gamma 28.67276198 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
119
119
# generated using pymatgen data_NaLaTa2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92552200 _cell_length_b 3.92552200 _cell_length_c 21.72187000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,208
9,358
mp-568155
-0.180504
0
U(AlC)3
0
['Al', 'C', 'U']
# generated using pymatgen data_U(AlC)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38756805 _cell_length_b 3.38756805 _cell_length_c 17.42626700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000093 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
186
186
# generated using pymatgen data_U(AlC)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38756805 _cell_length_b 3.38756805 _cell_length_c 17.42626700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,209
32,920
mp-754611
-2.80024
0
NbVO4
0.025774
['Nb', 'O', 'V']
# generated using pymatgen data_NbVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68350071 _cell_length_b 5.68350951 _cell_length_c 5.68346707 _cell_angle_alpha 139.33550421 _cell_angle_beta 139.33698661 _cell_angle_gamma 58.86340069 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_NbVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94953866 _cell_length_b 3.94953866 _cell_length_c 9.90000744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,210
39,290
mp-1299257
-2.251736
0
LiV3O4
0.051216
['Li', 'O', 'V']
# generated using pymatgen data_LiV3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06630880 _cell_length_b 6.11060395 _cell_length_c 6.10680833 _cell_angle_alpha 89.96722835 _cell_angle_beta 60.21083542 _cell_angle_gamma 119.76420928 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
71
71
# generated using pymatgen data_LiV3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06630880 _cell_length_b 6.14624348 _cell_length_c 8.64148578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,211
40,412
mp-755000
-2.924879
0
LiTiO2
0.054443
['Li', 'Ti', 'O']
# generated using pymatgen data_LiTiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90057866 _cell_length_b 2.90057866 _cell_length_c 10.25177500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001514 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_LiTiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90057866 _cell_length_b 2.90057866 _cell_length_c 10.25177500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,212
10,033
mp-1079433
-0.252465
0
BaMg4Si3
0
['Ba', 'Mg', 'Si']
# generated using pymatgen data_BaMg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62569800 _cell_length_b 4.62569800 _cell_length_c 8.61785700 _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_BaMg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62569800 _cell_length_b 4.62569800 _cell_length_c 8.61785700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,213
43,687
mp-1218406
-2.29128
0
SrCa2(FeO2)3
0.073215
['Ca', 'Fe', 'O', 'Sr']
# generated using pymatgen data_SrCa2(FeO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01818400 _cell_length_b 4.01818400 _cell_length_c 9.95598400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
123
123
# generated using pymatgen data_SrCa2(FeO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01818400 _cell_length_b 4.01818400 _cell_length_c 9.95598400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,214
6,261
mp-21079
-0.655868
0
Tb(GeRu)2
0
['Ge', 'Ru', 'Tb']
# generated using pymatgen data_Tb(GeRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80797700 _cell_length_b 5.80797700 _cell_length_c 5.80797700 _cell_angle_alpha 136.86721635 _cell_angle_beta 136.86721635 _cell_angle_gamma 62.64241669 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Tb(GeRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26978200 _cell_length_b 4.26978200 _cell_length_c 9.92312000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,215
25,579
mp-1114404
-2.540343
2.5943
KRb2IrF6
0.008821
['F', 'Ir', 'K', 'Rb']
# generated using pymatgen data_KRb2IrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45173844 _cell_length_b 6.45173844 _cell_length_c 6.45173844 _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_KRb2IrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12413600 _cell_length_b 9.12413600 _cell_length_c 9.12413600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,216
22,542
mp-1104171
-1.279908
1.6244
Yb(GaSe2)2
0.003559
['Ga', 'Se', 'Yb']
# generated using pymatgen data_Yb(GaSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16622286 _cell_length_b 6.16622286 _cell_length_c 10.66495700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.19596747 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
66
66
# generated using pymatgen data_Yb(GaSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33359200 _cell_length_b 10.58181600 _cell_length_c 10.66495700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,217
37,144
mp-1187565
-1.098462
0
Tm2IrPt
0.041715
['Ir', 'Pt', 'Tm']
# generated using pymatgen data_Tm2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83278776 _cell_length_b 4.83278776 _cell_length_c 4.83278776 _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_Tm2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83459399 _cell_length_b 6.83459399 _cell_length_c 6.83459399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,218
26,265
mp-1227380
-1.725674
0.6115
Ca(YTe2)2
0.009817
['Ca', 'Te', 'Y']
# generated using pymatgen data_Ca(YTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42203200 _cell_length_b 7.54379700 _cell_length_c 7.76245609 _cell_angle_alpha 72.15142077 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
10
10
# generated using pymatgen data_Ca(YTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54379700 _cell_length_b 4.42203200 _cell_length_c 7.76245609 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.84857923 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,219
19,555
mp-1095496
-0.526741
0
ErGa4Ni
0
['Er', 'Ga', 'Ni']
# generated using pymatgen data_ErGa4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85145151 _cell_length_b 7.85145151 _cell_length_c 6.59365900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.57806384 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_ErGa4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12003200 _cell_length_b 15.15277201 _cell_length_c 6.59365900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,220
29,125
mp-1186951
-0.953069
0
Sc2PdRh
0.016421
['Pd', 'Rh', 'Sc']
# generated using pymatgen data_Sc2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63303151 _cell_length_b 4.63303151 _cell_length_c 4.63303151 _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_Sc2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55209600 _cell_length_b 6.55209600 _cell_length_c 6.55209600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,221
42,572
mp-1112073
-1.505915
0.9908
K2BiAuCl6
0.067988
['Au', 'Bi', 'Cl', 'K']
# generated using pymatgen data_K2BiAuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65491740 _cell_length_b 7.65491740 _cell_length_c 7.65491740 _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_K2BiAuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82568801 _cell_length_b 10.82568801 _cell_length_c 10.82568801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,222
25,638
mp-1187598
-0.176932
0
Tm2MgCd
0.008945
['Cd', 'Mg', 'Tm']
# generated using pymatgen data_Tm2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26424169 _cell_length_b 5.26424169 _cell_length_c 5.26424169 _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_Tm2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44476199 _cell_length_b 7.44476199 _cell_length_c 7.44476199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,223
13,712
mp-1295
-1.064469
0
Yb4Sb3
0
['Sb', 'Yb']
# generated using pymatgen data_Yb4Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18318662 _cell_length_b 8.18318662 _cell_length_c 8.18318662 _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_Yb4Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44913000 _cell_length_b 9.44913000 _cell_length_c 9.44913000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,224
21,242
mp-1227023
-1.691272
2.4139
Ca6Br2N3Cl
0.001044
['Br', 'Ca', 'Cl', 'N']
# generated using pymatgen data_Ca6Br2N3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70076791 _cell_length_b 3.70076791 _cell_length_c 20.51449900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999843 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
164
164
# generated using pymatgen data_Ca6Br2N3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70076791 _cell_length_b 3.70076791 _cell_length_c 20.51449900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,225
16,627
mp-1189599
-0.514355
0
Pr3In5
0
['In', 'Pr']
# generated using pymatgen data_Pr3In5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64477897 _cell_length_b 6.64477897 _cell_length_c 10.64652300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.69588094 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Pr3In5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39077001 _cell_length_b 10.30569401 _cell_length_c 10.64652300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,226
15,455
mp-865933
-0.697491
0
LiSiIr2
0
['Li', 'Si', 'Ir']
# generated using pymatgen data_LiSiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11455678 _cell_length_b 4.11455678 _cell_length_c 4.11455678 _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_LiSiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81886200 _cell_length_b 5.81886200 _cell_length_c 5.81886200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,227
29,275
mp-1228473
-0.78348
0
Al3GePd4
0.017327
['Al', 'Ge', 'Pd']
# generated using pymatgen data_Al3GePd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93058271 _cell_length_b 4.93071394 _cell_length_c 4.92967684 _cell_angle_alpha 89.84466467 _cell_angle_beta 90.21011667 _cell_angle_gamma 89.77633520 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
146
146
# generated using pymatgen data_Al3GePd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98341167 _cell_length_b 6.98341167 _cell_length_c 8.51025402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,228
24,245
mp-1224034
-0.407083
0
Ho2Al3Fe
0.006259
['Al', 'Fe', 'Ho']
# generated using pymatgen data_Ho2Al3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38232285 _cell_length_b 5.38232285 _cell_length_c 5.38232294 _cell_angle_alpha 61.52396792 _cell_angle_beta 61.52396792 _cell_angle_gamma 61.52397071 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Ho2Al3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50582391 _cell_length_b 5.50582391 _cell_length_c 13.03005397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,229
12,172
mp-1217967
-1.093114
0
SrPPt
0
['P', 'Pt', 'Sr']
# generated using pymatgen data_SrPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13821224 _cell_length_b 4.13821224 _cell_length_c 4.52449000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000390 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_SrPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13821224 _cell_length_b 4.13821224 _cell_length_c 4.52449000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,230
29,004
mp-1007855
-0.07273
0
FeNi3
0.017033
['Fe', 'Ni']
# generated using pymatgen data_FeNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33279830 _cell_length_b 4.33279830 _cell_length_c 4.33279830 _cell_angle_alpha 131.86473251 _cell_angle_beta 131.86473251 _cell_angle_gamma 70.44275125 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_FeNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53395800 _cell_length_b 3.53395800 _cell_length_c 7.07918400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...
25,231
31,896
mp-642803
-1.172544
0
Zr2HBr2
0.023693
['Br', 'H', 'Zr']
# generated using pymatgen data_Zr2HBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.37559352 _cell_length_b 10.37559352 _cell_length_c 5.97616690 _cell_angle_alpha 80.12873852 _cell_angle_beta 80.12873852 _cell_angle_gamma 19.60809688 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Zr2HBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.44813399 _cell_length_b 3.53349400 _cell_length_c 5.97616690 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.01905745 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,232
38,699
mp-1220492
-0.37603
0
NbAlCo
0.048147
['Al', 'Co', 'Nb']
# generated using pymatgen data_NbAlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92407211 _cell_length_b 4.92364625 _cell_length_c 7.97351100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 61.31579206 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_NbAlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02145909 _cell_length_b 8.47127533 _cell_length_c 7.97351100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,233
11,667
mp-1217232
-0.395126
0
U6Cu3Ni3Sb8
0
['Cu', 'Ni', 'Sb', 'U']
# generated using pymatgen data_U6Cu3Ni3Sb8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22700165 _cell_length_b 8.22700165 _cell_length_c 9.48794558 _cell_angle_alpha 54.83121608 _cell_angle_beta 54.83121608 _cell_angle_gamma 70.50384737 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
5
5
# generated using pymatgen data_U6Cu3Ni3Sb8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.43670400 _cell_length_b 9.49680000 _cell_length_c 9.48794558 _cell_angle_alpha 90.00000000 _cell_angle_beta 134.85610260 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,234
29,230
mp-1221678
-0.849389
0.2535
MnCd4S5
0.016585
['Cd', 'Mn', 'S']
# generated using pymatgen data_MnCd4S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.10643562 _cell_length_b 17.10643562 _cell_length_c 17.10643600 _cell_angle_alpha 13.98420547 _cell_angle_beta 13.98420547 _cell_angle_gamma 13.98420685 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
160
160
# generated using pymatgen data_MnCd4S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16481964 _cell_length_b 4.16481964 _cell_length_c 50.80978375 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,235
27,653
mp-1206741
-0.508364
0
Si2Ir
0.012952
['Ir', 'Si']
# generated using pymatgen data_Si2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04489262 _cell_length_b 4.04489262 _cell_length_c 4.04489262 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
225
225
# generated using pymatgen data_Si2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72034200 _cell_length_b 5.72034200 _cell_length_c 5.72034200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
25,236
17,478
mp-9576
-0.936806
1.5589
KSbSe2
0
['K', 'Sb', 'Se']
# generated using pymatgen data_KSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59547200 _cell_length_b 6.65986300 _cell_length_c 13.53459756 _cell_angle_alpha 67.63577017 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
13
13
# generated using pymatgen data_KSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65986300 _cell_length_b 6.59547200 _cell_length_c 13.53459756 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.36422983 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,237
41,374
mp-7135
-2.003302
0
TbS2
0.059336
['S', 'Tb']
# generated using pymatgen data_TbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87037100 _cell_length_b 3.87037100 _cell_length_c 8.00395900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb...
129
129
# generated using pymatgen data_TbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87037100 _cell_length_b 3.87037100 _cell_length_c 8.00395900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb...
25,238
1,224
mp-1222283
-3.503598
4.4957
LuSc(BO3)2
0
['B', 'Lu', 'O', 'Sc']
# generated using pymatgen data_LuSc(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97278209 _cell_length_b 5.97278209 _cell_length_c 5.97278223 _cell_angle_alpha 47.97452177 _cell_angle_beta 47.97452177 _cell_angle_gamma 47.97451962 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
148
148
# generated using pymatgen data_LuSc(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85627213 _cell_length_b 4.85627213 _cell_length_c 15.82140954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,239
37,410
mp-755199
-2.159676
0.013
VGeO3
0.042281
['Ge', 'O', 'V']
# generated using pymatgen data_VGeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27290511 _cell_length_b 6.79661815 _cell_length_c 6.79681632 _cell_angle_alpha 94.20703712 _cell_angle_beta 82.68236710 _cell_angle_gamma 97.31846827 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
15
15
# generated using pymatgen data_VGeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95834212 _cell_length_b 9.25272300 _cell_length_c 5.27290511 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.01311141 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,240
22,372
mp-554074
-1.346037
0
NbS2
0.003136
['Nb', 'S']
# generated using pymatgen data_NbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36034878 _cell_length_b 3.36034878 _cell_length_c 39.32896900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.98367351 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_NbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36117800 _cell_length_b 5.81981599 _cell_length_c 39.32896900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,241
17,530
mp-1077469
-0.679735
0
Li3GdBi2
0
['Bi', 'Gd', 'Li']
# generated using pymatgen data_Li3GdBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69534161 _cell_length_b 4.69534161 _cell_length_c 7.36653000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999449 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Li3GdBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69534161 _cell_length_b 4.69534161 _cell_length_c 7.36653000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,242
29,077
mp-11737
-2.674883
4.9652
Li4SiO4
0.017204
['Li', 'Si', 'O']
# generated using pymatgen data_Li4SiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04538900 _cell_length_b 5.05195511 _cell_length_c 7.57033267 _cell_angle_alpha 82.76164763 _cell_angle_beta 70.99812882 _cell_angle_gamma 68.34252083 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Li4SiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04538900 _cell_length_b 5.05195511 _cell_length_c 7.57033267 _cell_angle_alpha 82.76164763 _cell_angle_beta 70.99812882 _cell_angle_gamma 68.34252083 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,243
39,695
mp-1219102
-0.222614
0
SmAlFe
0.052601
['Al', 'Fe', 'Sm']
# generated using pymatgen data_SmAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48335607 _cell_length_b 5.47187246 _cell_length_c 8.71880500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.93555586 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_SmAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47187246 _cell_length_b 9.50361281 _cell_length_c 8.71880500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,244
13,555
mp-1080713
-0.60879
0
Er2Ni2Sn
0
['Er', 'Ni', 'Sn']
# generated using pymatgen data_Er2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25686000 _cell_length_b 7.25686000 _cell_length_c 3.66742000 _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_Er2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25686000 _cell_length_b 7.25686000 _cell_length_c 3.66742000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,245
41,173
mp-1209745
-0.926069
0
Pr3NbSb5
0.060912
['Nb', 'Pr', 'Sb']
# generated using pymatgen data_Pr3NbSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51279600 _cell_length_b 9.51279600 _cell_length_c 6.27766800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000002 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
193
193
# generated using pymatgen data_Pr3NbSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51279600 _cell_length_b 9.51279600 _cell_length_c 6.27766800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,246
30,060
mp-1114494
-2.870245
4.5178
Rb3BiF6
0.019037
['Bi', 'F', 'Rb']
# generated using pymatgen data_Rb3BiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99282503 _cell_length_b 6.99282503 _cell_length_c 6.99282503 _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_Rb3BiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.88934800 _cell_length_b 9.88934800 _cell_length_c 9.88934800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,247
4,322
mp-30672
-0.32137
0
Ti3Ga
0
['Ti', 'Ga']
# generated using pymatgen data_Ti3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69844823 _cell_length_b 5.69844823 _cell_length_c 4.65106200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000271 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Ti3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69844823 _cell_length_b 5.69844823 _cell_length_c 4.65106200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,248
19,455
mp-865496
-0.518594
0
VIr3
0
['V', 'Ir']
# generated using pymatgen data_VIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46586033 _cell_length_b 5.46586033 _cell_length_c 4.35779100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000405 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
194
194
# generated using pymatgen data_VIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46586033 _cell_length_b 5.46586033 _cell_length_c 4.35779100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
25,249
4,326
mp-31040
-1.746707
1.0799
NbCl4
0
['Cl', 'Nb']
# generated using pymatgen data_NbCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40952564 _cell_length_b 7.40952564 _cell_length_c 8.73878335 _cell_angle_alpha 55.08849152 _cell_angle_beta 55.08849152 _cell_angle_gamma 55.47407297 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
12
12
# generated using pymatgen data_NbCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.11623800 _cell_length_b 6.89699800 _cell_length_c 8.73878335 _cell_angle_alpha 90.00000000 _cell_angle_beta 130.28654944 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,250
29,020
mp-1069697
0.006887
0
VAu4
0.01653
['Au', 'V']
# generated using pymatgen data_VAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04150725 _cell_length_b 5.04150725 _cell_length_c 5.04150725 _cell_angle_alpha 99.34638499 _cell_angle_beta 99.34638499 _cell_angle_gamma 132.46926420 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
87
87
# generated using pymatgen data_VAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52518800 _cell_length_b 6.52518800 _cell_length_c 4.06337600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VA...
25,251
8,157
mp-1216052
-1.8208
0
Y3SiS2
0
['S', 'Si', 'Y']
# generated using pymatgen data_Y3SiS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91270640 _cell_length_b 6.91270640 _cell_length_c 6.91270640 _cell_angle_alpha 146.16422034 _cell_angle_beta 131.91444671 _cell_angle_gamma 60.08880435 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
71
71
# generated using pymatgen data_Y3SiS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02320800 _cell_length_b 5.63273000 _cell_length_c 11.96779801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,252
16,022
mp-1077922
-0.455035
0
Tl2Rh3S2
0
['Rh', 'S', 'Tl']
# generated using pymatgen data_Tl2Rh3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79913612 _cell_length_b 5.79913612 _cell_length_c 5.79913632 _cell_angle_alpha 59.51498186 _cell_angle_beta 59.51498186 _cell_angle_gamma 59.51497541 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Tl2Rh3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75657033 _cell_length_b 5.75657033 _cell_length_c 14.25677084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,253
13,955
mp-865911
-0.576319
0
YbPmHg2
0
['Hg', 'Pm', 'Yb']
# generated using pymatgen data_YbPmHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34637356 _cell_length_b 5.34637356 _cell_length_c 5.34637356 _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_YbPmHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56091400 _cell_length_b 7.56091400 _cell_length_c 7.56091400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,254
38,319
mp-21096
-0.339014
0
CaMnSi
0.047025
['Ca', 'Mn', 'Si']
# generated using pymatgen data_CaMnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92172900 _cell_length_b 3.92172900 _cell_length_c 7.90564500 _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_CaMnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92172900 _cell_length_b 3.92172900 _cell_length_c 7.90564500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,255
16,937
mp-7693
-4.431924
7.2461
BaTm2F8
0
['Ba', 'F', 'Tm']
# generated using pymatgen data_BaTm2F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30157991 _cell_length_b 6.30157991 _cell_length_c 4.27151866 _cell_angle_alpha 85.05788967 _cell_angle_beta 85.05788967 _cell_angle_gamma 112.93238544 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_BaTm2F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96235000 _cell_length_b 10.50548999 _cell_length_c 4.27151866 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.97167546 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,256
21,579
mp-11287
-0.446922
0
CaHg2
0.002144
['Ca', 'Hg']
# generated using pymatgen data_CaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01733202 _cell_length_b 5.01733202 _cell_length_c 3.61885300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000033 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_CaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01733202 _cell_length_b 5.01733202 _cell_length_c 3.61885300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,257
30,257
mp-1226512
-0.551533
0
Co(NiSe2)2
0.019231
['Co', 'Ni', 'Se']
# generated using pymatgen data_Co(NiSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26434046 _cell_length_b 6.26434046 _cell_length_c 6.16464687 _cell_angle_alpha 61.31141809 _cell_angle_beta 61.31141809 _cell_angle_gamma 33.69873397 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
8
8
# generated using pymatgen data_Co(NiSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.99082600 _cell_length_b 3.63152000 _cell_length_c 6.16464687 _cell_angle_alpha 90.00000000 _cell_angle_beta 120.10468835 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,258
17,400
mp-643912
-0.651522
0
Ca5Ge3H
0
['Ca', 'Ge', 'H']
# generated using pymatgen data_Ca5Ge3H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12021515 _cell_length_b 9.12021515 _cell_length_c 9.12021515 _cell_angle_alpha 129.78982959 _cell_angle_beta 129.78982959 _cell_angle_gamma 73.74298073 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
140
140
# generated using pymatgen data_Ca5Ge3H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73904600 _cell_length_b 7.73904600 _cell_length_c 14.59204000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,259
37,481
mp-989614
-0.91692
1.4051
LaReN3
0.042172
['La', 'N', 'Re']
# generated using pymatgen data_LaReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37465400 _cell_length_b 7.06315100 _cell_length_c 11.27883928 _cell_angle_alpha 59.18720810 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_LaReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06315100 _cell_length_b 5.37465400 _cell_length_c 11.27883928 _cell_angle_alpha 90.00000000 _cell_angle_beta 120.81279190 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,260
4,431
mp-863703
-0.438303
0
Pm2MgSn
0
['Pm', 'Mg', 'Sn']
# generated using pymatgen data_Pm2MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41774892 _cell_length_b 5.41774892 _cell_length_c 5.41774892 _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_Pm2MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66185400 _cell_length_b 7.66185400 _cell_length_c 7.66185400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,261
44,457
mp-850922
-2.48285
1.8551
Li3Fe2(SiO4)2
0.073517
['Fe', 'Li', 'O', 'Si']
# generated using pymatgen data_Li3Fe2(SiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03299500 _cell_length_b 5.31562267 _cell_length_c 6.72296060 _cell_angle_alpha 91.27383407 _cell_angle_beta 90.81765857 _cell_angle_gamma 90.22412317 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1
1
# generated using pymatgen data_Li3Fe2(SiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03299500 _cell_length_b 5.31562267 _cell_length_c 6.72296060 _cell_angle_alpha 91.27383407 _cell_angle_beta 90.81765857 _cell_angle_gamma 90.22412317 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,262
4,316
mp-29797
-3.312322
0.0775
GdBrO
0
['Br', 'Gd', 'O']
# generated using pymatgen data_GdBrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90643700 _cell_length_b 3.90643700 _cell_length_c 8.77875300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural G...
129
129
# generated using pymatgen data_GdBrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90643700 _cell_length_b 3.90643700 _cell_length_c 8.77875300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural G...
25,263
8,035
mp-1079572
-0.868954
0
LaNiSb2
0
['La', 'Ni', 'Sb']
# generated using pymatgen data_LaNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44734100 _cell_length_b 4.44734100 _cell_length_c 9.93493000 _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_LaNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44734100 _cell_length_b 4.44734100 _cell_length_c 9.93493000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,264
17,329
mp-38972
-2.687101
0
Ba3Re2O9
0
['Ba', 'O', 'Re']
# generated using pymatgen data_Ba3Re2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78281251 _cell_length_b 7.78281251 _cell_length_c 7.78281186 _cell_angle_alpha 43.57747977 _cell_angle_beta 43.57747977 _cell_angle_gamma 43.57747918 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Ba3Re2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77773192 _cell_length_b 5.77773192 _cell_length_c 21.09509297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,265
9,874
mp-568924
-0.566107
0
PrB2Rh2C
0
['B', 'C', 'Pr', 'Rh']
# generated using pymatgen data_PrB2Rh2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83037881 _cell_length_b 5.83037881 _cell_length_c 5.83037881 _cell_angle_alpha 140.99865390 _cell_angle_beta 140.99865390 _cell_angle_gamma 56.34007755 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_PrB2Rh2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89257000 _cell_length_b 3.89257000 _cell_length_c 10.27954600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,266
4,015
mp-1018828
-2.567477
0
NpSeO
0
['Np', 'Se', 'O']
# generated using pymatgen data_NpSeO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88125300 _cell_length_b 3.88125300 _cell_length_c 6.98253300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
129
129
# generated using pymatgen data_NpSeO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88125300 _cell_length_b 3.88125300 _cell_length_c 6.98253300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,267
21,607
mp-1184638
-0.420445
0
HoAl3
0.001726
['Al', 'Ho']
# generated using pymatgen data_HoAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23658471 _cell_length_b 6.23658471 _cell_length_c 4.62574500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000756 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_HoAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23658471 _cell_length_b 6.23658471 _cell_length_c 4.62574500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,268
22,305
mp-19974
-0.013565
0
In2Ag
0.002452
['In', 'Ag']
# generated using pymatgen data_In2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71559197 _cell_length_b 5.71559197 _cell_length_c 5.71559197 _cell_angle_alpha 105.23430561 _cell_angle_beta 105.23430561 _cell_angle_gamma 118.32459598 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_In2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94030600 _cell_length_b 6.94030600 _cell_length_c 5.85971600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...
25,269
16,238
mp-20517
-0.258022
0
BPd3
0
['B', 'Pd']
# generated using pymatgen data_BPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89773000 _cell_length_b 5.53472800 _cell_length_c 7.70890100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP...
62
62
# generated using pymatgen data_BPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89773000 _cell_length_b 5.53472800 _cell_length_c 7.70890100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP...
25,270
6,816
mp-27294
-2.015761
2.2925
Ca3AsBr3
0
['Ca', 'As', 'Br']
# generated using pymatgen data_Ca3AsBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96588800 _cell_length_b 5.96588800 _cell_length_c 5.96588800 _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_Ca3AsBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96588800 _cell_length_b 5.96588800 _cell_length_c 5.96588800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,271
3,057
mp-1102568
-0.621802
0
EuZnAu
0
['Au', 'Eu', 'Zn']
# generated using pymatgen data_EuZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69267200 _cell_length_b 7.54551500 _cell_length_c 8.01150300 _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_EuZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69267200 _cell_length_b 7.54551500 _cell_length_c 8.01150300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,272
25,398
mp-639347
-2.361748
0
BaEuFe2O5
0.007883
['Ba', 'Eu', 'Fe', 'O']
# generated using pymatgen data_BaEuFe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97308729 _cell_length_b 3.99225787 _cell_length_c 7.74381045 _cell_angle_alpha 89.85973217 _cell_angle_beta 89.82824116 _cell_angle_gamma 89.67442042 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
99
99
# generated using pymatgen data_BaEuFe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98267258 _cell_length_b 3.98267258 _cell_length_c 7.74381045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,273
6,641
mp-1205745
-0.240472
0
Er2MgCu2
0
['Cu', 'Er', 'Mg']
# generated using pymatgen data_Er2MgCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58166600 _cell_length_b 7.64221200 _cell_length_c 7.64221200 _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_Er2MgCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64221200 _cell_length_b 7.64221200 _cell_length_c 3.58166600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,274
34,717
mp-1220357
-0.06108
0
NbReMo
0.032313
['Mo', 'Nb', 'Re']
# generated using pymatgen data_NbReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14946045 _cell_length_b 6.96588949 _cell_length_c 2.77304462 _cell_angle_alpha 82.41632619 _cell_angle_beta 74.97251796 _cell_angle_gamma 22.61115584 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
42
42
# generated using pymatgen data_NbReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19330800 _cell_length_b 4.53452200 _cell_length_c 13.56087200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,275
27,694
mp-1215915
-2.168858
0
YScS2
0.013587
['S', 'Sc', 'Y']
# generated using pymatgen data_YScS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63705756 _cell_length_b 6.63705756 _cell_length_c 6.63705689 _cell_angle_alpha 33.28969086 _cell_angle_beta 33.28969086 _cell_angle_gamma 33.28969307 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
166
166
# generated using pymatgen data_YScS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80221578 _cell_length_b 3.80221578 _cell_length_c 18.79053586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,276
38,707
mp-1221272
-0.284479
0
Na2Zn3SiAs4
0.049245
['As', 'Na', 'Si', 'Zn']
# generated using pymatgen data_Na2Zn3SiAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52800447 _cell_length_b 8.52800447 _cell_length_c 7.12865940 _cell_angle_alpha 65.38518368 _cell_angle_beta 65.38518368 _cell_angle_gamma 27.70359990 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
8
8
# generated using pymatgen data_Na2Zn3SiAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.55999001 _cell_length_b 4.08340200 _cell_length_c 7.12865940 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.40359045 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,277
34,413
mp-754114
-3.707217
3.6069
SrSc2O4
0.031013
['O', 'Sc', 'Sr']
# generated using pymatgen data_SrSc2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59780831 _cell_length_b 6.59780831 _cell_length_c 6.59780831 _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_SrSc2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33070999 _cell_length_b 9.33070999 _cell_length_c 9.33070999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,278
24,438
mp-754029
-2.445048
1.7751
Li2VCrO4
0.006154
['Cr', 'Li', 'O', 'V']
# generated using pymatgen data_Li2VCrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14209800 _cell_length_b 5.17009993 _cell_length_c 6.00615782 _cell_angle_alpha 106.85053440 _cell_angle_beta 90.02622410 _cell_angle_gamma 100.02196193 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2
2
# generated using pymatgen data_Li2VCrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14209800 _cell_length_b 5.17009993 _cell_length_c 6.00615782 _cell_angle_alpha 106.85053440 _cell_angle_beta 90.02622410 _cell_angle_gamma 100.02196193 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,279
21,875
mp-568208
-0.956649
1.9771
IrCl3
0.002383
['Cl', 'Ir']
# generated using pymatgen data_IrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.72941762 _cell_length_b 11.18347638 _cell_length_c 6.22368877 _cell_angle_alpha 79.14099634 _cell_angle_beta 69.45267176 _cell_angle_gamma 31.40633190 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
70
70
# generated using pymatgen data_IrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24226600 _cell_length_b 10.12357600 _cell_length_c 21.16199800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,280
30,245
mp-1225676
-0.201832
0
Cu3Te2
0.019754
['Cu', 'Te']
# generated using pymatgen data_Cu3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04823800 _cell_length_b 4.04823800 _cell_length_c 6.04483500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
99
99
# generated using pymatgen data_Cu3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04823800 _cell_length_b 4.04823800 _cell_length_c 6.04483500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,281
37,845
mp-4823
0.031964
0
Na2PdC2
0.043795
['Na', 'Pd', 'C']
# generated using pymatgen data_Na2PdC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51209844 _cell_length_b 4.51209844 _cell_length_c 5.28300100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000645 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Na2PdC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51209844 _cell_length_b 4.51209844 _cell_length_c 5.28300100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,282
1,061
mp-1101777
-0.55987
0
Pr3(AgSn)4
0
['Ag', 'Pr', 'Sn']
# generated using pymatgen data_Pr3(AgSn)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99606680 _cell_length_b 8.99606680 _cell_length_c 8.99606680 _cell_angle_alpha 149.50801902 _cell_angle_beta 131.20793128 _cell_angle_gamma 58.63461991 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
71
71
# generated using pymatgen data_Pr3(AgSn)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73127800 _cell_length_b 7.43149600 _cell_length_c 15.68772600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,283
6,608
mp-1184246
-0.463076
0
ErThRu2
0
['Er', 'Ru', 'Th']
# generated using pymatgen data_ErThRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90746390 _cell_length_b 4.90746390 _cell_length_c 4.90746390 _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_ErThRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94020200 _cell_length_b 6.94020200 _cell_length_c 6.94020200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,284
44,257
mp-1232185
-1.901039
1.6606
Pr2MgSe4
0.073724
['Mg', 'Pr', 'Se']
# generated using pymatgen data_Pr2MgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73346082 _cell_length_b 7.73346082 _cell_length_c 7.73346082 _cell_angle_alpha 110.95728243 _cell_angle_beta 110.95728243 _cell_angle_gamma 106.53831015 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
122
122
# generated using pymatgen data_Pr2MgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76531200 _cell_length_b 8.76531200 _cell_length_c 9.25009600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,285
2,414
mp-754019
-2.57067
0.6936
Na4NpO5
0
['Na', 'Np', 'O']
# generated using pymatgen data_Na4NpO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87879828 _cell_length_b 5.87879828 _cell_length_c 5.87879828 _cell_angle_alpha 98.98638941 _cell_angle_beta 98.98638941 _cell_angle_gamma 133.44045298 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
87
87
# generated using pymatgen data_Na4NpO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63701000 _cell_length_b 7.63701000 _cell_length_c 4.64685200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,286
18,982
mp-9702
-2.589158
2.0115
Sr3BPO3
0
['B', 'O', 'P', 'Sr']
# generated using pymatgen data_Sr3BPO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30854180 _cell_length_b 5.30854180 _cell_length_c 12.78243700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999753 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
194
194
# generated using pymatgen data_Sr3BPO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30854180 _cell_length_b 5.30854180 _cell_length_c 12.78243700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,287
26,935
mp-764274
-2.702766
3.4051
VOF3
0.011311
['F', 'O', 'V']
# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76918100 _cell_length_b 8.76918100 _cell_length_c 4.02668900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
113
113
# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76918100 _cell_length_b 8.76918100 _cell_length_c 4.02668900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
25,288
45,037
mp-1112432
-0.840486
0
K2AsAuI6
0.078933
['As', 'Au', 'I', 'K']
# generated using pymatgen data_K2AsAuI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25453546 _cell_length_b 8.25453546 _cell_length_c 8.25453546 _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_K2AsAuI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.67367600 _cell_length_b 11.67367600 _cell_length_c 11.67367600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,289
21,123
mp-1189329
-0.142648
0
Y3Co
0.001556
['Co', 'Y']
# generated using pymatgen data_Y3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49634700 _cell_length_b 6.33830200 _cell_length_c 7.01268704 _cell_angle_alpha 89.99419091 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3...
4
4
# generated using pymatgen data_Y3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33830200 _cell_length_b 9.49634700 _cell_length_c 7.01268704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00580909 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3...
25,290
44,289
mp-1519609
-2.800801
1.9744
NaSrCeSbO6
0.074238
['Ce', 'Na', 'O', 'Sb', 'Sr']
# generated using pymatgen data_NaSrCeSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95381250 _cell_length_b 5.95381250 _cell_length_c 5.95381250 _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_NaSrCeSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41996239 _cell_length_b 8.41996239 _cell_length_c 8.41996239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,291
6,122
mp-1187563
-1.182704
0
YbDyPt2
0
['Dy', 'Pt', 'Yb']
# generated using pymatgen data_YbDyPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89332318 _cell_length_b 4.89332318 _cell_length_c 4.89332318 _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_YbDyPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92020401 _cell_length_b 6.92020401 _cell_length_c 6.92020401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,292
17,822
mp-3048
-1.726955
0
U2SeN2
0
['U', 'Se', 'N']
# generated using pymatgen data_U2SeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84083639 _cell_length_b 3.84083639 _cell_length_c 6.85611100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000675 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_U2SeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84083639 _cell_length_b 3.84083639 _cell_length_c 6.85611100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,293
6,828
mp-29585
-0.423175
0.741
K4CdAs2
0
['K', 'Cd', 'As']
# generated using pymatgen data_K4CdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97408628 _cell_length_b 9.97408628 _cell_length_c 9.97408631 _cell_angle_alpha 34.09379690 _cell_angle_beta 34.09379690 _cell_angle_gamma 34.09379677 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_K4CdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84789401 _cell_length_b 5.84789401 _cell_length_c 28.15578062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,294
2,669
mp-1216998
-0.151465
0
Zr5Ti5Pb6
0
['Pb', 'Ti', 'Zr']
# generated using pymatgen data_Zr5Ti5Pb6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78037828 _cell_length_b 8.62784576 _cell_length_c 8.53577034 _cell_angle_alpha 120.35747552 _cell_angle_beta 90.03812973 _cell_angle_gamma 89.92455887 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
38
38
# generated using pymatgen data_Zr5Ti5Pb6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62784576 _cell_length_b 14.73084477 _cell_length_c 5.78037828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,295
25,952
mp-774043
-2.499667
1.0275
MnV(P2O7)2
0.009545
['Mn', 'O', 'P', 'V']
# generated using pymatgen data_MnV(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83687743 _cell_length_b 8.16856513 _cell_length_c 7.03519787 _cell_angle_alpha 92.61789951 _cell_angle_beta 106.54973390 _cell_angle_gamma 88.63253215 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
1
1
# generated using pymatgen data_MnV(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83687743 _cell_length_b 7.03519787 _cell_length_c 8.16856513 _cell_angle_alpha 87.38210049 _cell_angle_beta 88.63253215 _cell_angle_gamma 73.45026610 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,296
11,968
mp-867203
-0.951263
1.066
Sr2CdAs2
0
['As', 'Cd', 'Sr']
# generated using pymatgen data_Sr2CdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83742607 _cell_length_b 8.83742607 _cell_length_c 7.68813700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.61966630 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
36
36
# generated using pymatgen data_Sr2CdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48220000 _cell_length_b 17.09708400 _cell_length_c 7.68813700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,297
11,322
mp-2909
-0.616335
0
HoAlNi
0
['Ho', 'Al', 'Ni']
# generated using pymatgen data_HoAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90920744 _cell_length_b 6.90920744 _cell_length_c 3.90123600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999463 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_HoAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90920744 _cell_length_b 6.90920744 _cell_length_c 3.90123600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,298
28,372
mp-546027
-1.989452
1.9908
CrBiO3
0.014705
['Bi', 'Cr', 'O']
# generated using pymatgen data_CrBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59996749 _cell_length_b 5.59994029 _cell_length_c 5.62117886 _cell_angle_alpha 90.00011924 _cell_angle_beta 60.12464063 _cell_angle_gamma 60.00024760 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
161
161
# generated using pymatgen data_CrBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59995389 _cell_length_b 5.59995389 _cell_length_c 13.79490578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,299
17,357
mp-557685
-2.356103
1.0433
NbIO2
0
['I', 'Nb', 'O']
# generated using pymatgen data_NbIO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81186700 _cell_length_b 4.00370700 _cell_length_c 21.66041300 _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_NbIO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81186700 _cell_length_b 4.00370700 _cell_length_c 21.66041300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...