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
1
229
cif.conv
stringlengths
696
5.07k
25,600
18,654
mp-1213754
-0.474908
0
Cr5Te8
0
['Cr', 'Te']
# generated using pymatgen data_Cr5Te8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29501227 _cell_length_b 7.29501227 _cell_length_c 9.11052080 _cell_angle_alpha 56.30885566 _cell_angle_beta 56.30885566 _cell_angle_gamma 65.74466305 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Cr5Te8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.25389999 _cell_length_b 7.91901200 _cell_length_c 9.11052080 _cell_angle_alpha 90.00000000 _cell_angle_beta 131.33562973 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,601
7,013
mp-1029422
-0.579997
1.9319
NbZn2N3
0
['Nb', 'Zn', 'N']
# generated using pymatgen data_NbZn2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74244941 _cell_length_b 5.74244941 _cell_length_c 5.44150200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.20914519 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_NbZn2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81095600 _cell_length_b 9.90634601 _cell_length_c 5.44150200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,602
15,050
mp-1101266
-3.273893
0.442
Tm2TeO2
0
['O', 'Te', 'Tm']
# generated using pymatgen data_Tm2TeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85275327 _cell_length_b 3.85275327 _cell_length_c 14.24656900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998753 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
194
194
# generated using pymatgen data_Tm2TeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85275327 _cell_length_b 3.85275327 _cell_length_c 14.24656900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,603
4,489
mp-984743
-0.760074
0
Er2Ge5Rh3
0
['Er', 'Ge', 'Rh']
# generated using pymatgen data_Er2Ge5Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34738551 _cell_length_b 8.34738551 _cell_length_c 5.88396304 _cell_angle_alpha 71.04362678 _cell_angle_beta 71.04362678 _cell_angle_gamma 93.60918193 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
15
15
# generated using pymatgen data_Er2Ge5Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.42738200 _cell_length_b 12.17088000 _cell_length_c 5.88396304 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.33233728 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,604
21,573
mp-1111919
-2.551034
2.4562
K2NaIrF6
0.002084
['F', 'Ir', 'K', 'Na']
# generated using pymatgen data_K2NaIrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04932963 _cell_length_b 6.04932963 _cell_length_c 6.04932963 _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_K2NaIrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55504401 _cell_length_b 8.55504401 _cell_length_c 8.55504401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,605
10,872
mp-610645
-0.809064
0
Ce(NiAs)2
0
['As', 'Ce', 'Ni']
# generated using pymatgen data_Ce(NiAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14306700 _cell_length_b 4.14306700 _cell_length_c 9.12948800 _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_Ce(NiAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14306700 _cell_length_b 4.14306700 _cell_length_c 9.12948800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,606
12,339
mp-505769
-0.520031
0
Eu(CuSb)2
0
['Cu', 'Eu', 'Sb']
# generated using pymatgen data_Eu(CuSb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52750300 _cell_length_b 4.52750300 _cell_length_c 10.89059200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
129
129
# generated using pymatgen data_Eu(CuSb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52750300 _cell_length_b 4.52750300 _cell_length_c 10.89059200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,607
35,591
mp-1114646
-1.555378
0
Rb2TlHgCl6
0.037602
['Cl', 'Hg', 'Rb', 'Tl']
# generated using pymatgen data_Rb2TlHgCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71283510 _cell_length_b 7.71283510 _cell_length_c 7.71283510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
225
225
# generated using pymatgen data_Rb2TlHgCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90759600 _cell_length_b 10.90759600 _cell_length_c 10.90759600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,608
2,100
mp-1111261
-1.899071
3.6807
K2LiBiCl6
0
['Bi', 'Cl', 'K', 'Li']
# generated using pymatgen data_K2LiBiCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45983371 _cell_length_b 7.45983371 _cell_length_c 7.45983371 _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_K2LiBiCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.54979801 _cell_length_b 10.54979801 _cell_length_c 10.54979801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,609
21,569
mp-1106078
-0.566713
0
Gd(BRh)4
0.002399
['B', 'Gd', 'Rh']
# generated using pymatgen data_Gd(BRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35048400 _cell_length_b 5.35048400 _cell_length_c 7.48291600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
137
137
# generated using pymatgen data_Gd(BRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35048400 _cell_length_b 5.35048400 _cell_length_c 7.48291600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,610
16,283
mp-27828
-2.24433
2.2538
Cs2TiCl6
0
['Cs', 'Ti', 'Cl']
# generated using pymatgen data_Cs2TiCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47189270 _cell_length_b 7.47189270 _cell_length_c 7.47189270 _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_Cs2TiCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.56685199 _cell_length_b 10.56685199 _cell_length_c 10.56685199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,611
20,746
mp-1273212
-1.36112
2.5359
Fe(HO)2
0.000469
['Fe', 'H', 'O']
# generated using pymatgen data_Fe(HO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32141219 _cell_length_b 5.69705185 _cell_length_c 10.01284599 _cell_angle_alpha 94.69620054 _cell_angle_beta 99.56235555 _cell_angle_gamma 73.06170349 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Fe(HO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72299958 _cell_length_b 3.32141219 _cell_length_c 4.69938074 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.21623881 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,612
12,704
mp-1271345
-2.040817
2.6197
Cr2NiO4
0
['Cr', 'Ni', 'O']
# generated using pymatgen data_Cr2NiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89510003 _cell_length_b 5.95727186 _cell_length_c 6.02076725 _cell_angle_alpha 119.54369785 _cell_angle_beta 119.38734905 _cell_angle_gamma 90.45869324 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
9
9
# generated using pymatgen data_Cr2NiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34739469 _cell_length_b 8.41448671 _cell_length_c 5.97691503 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.87046205 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,613
37,135
mp-11855
0.034335
0
ErMn2
0.041582
['Er', 'Mn']
# generated using pymatgen data_ErMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31827503 _cell_length_b 5.31827503 _cell_length_c 8.07317100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998793 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_ErMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31827503 _cell_length_b 5.31827503 _cell_length_c 8.07317100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,614
19,843
mp-559352
-2.18342
0.2851
Ba4Na(BiO4)3
0
['Ba', 'Bi', 'Na', 'O']
# generated using pymatgen data_Ba4Na(BiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53383385 _cell_length_b 7.53383385 _cell_length_c 7.53383385 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
229
229
# generated using pymatgen data_Ba4Na(BiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69932200 _cell_length_b 8.69932200 _cell_length_c 8.69932200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,615
20,924
mp-755197
-2.669526
1.1012
V2O3F
0.000803
['F', 'O', 'V']
# generated using pymatgen data_V2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59262542 _cell_length_b 5.59262542 _cell_length_c 5.59262542 _cell_angle_alpha 114.78852447 _cell_angle_beta 110.05659950 _cell_angle_gamma 103.75563910 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_V2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02723000 _cell_length_b 6.41107000 _cell_length_c 6.90510800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
25,616
34,125
mp-1186789
0.032061
0
SrYb2Eu
0.032061
['Eu', 'Sr', 'Yb']
# generated using pymatgen data_SrYb2Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24425634 _cell_length_b 6.24425634 _cell_length_c 6.24425634 _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_SrYb2Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83071200 _cell_length_b 8.83071200 _cell_length_c 8.83071200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,617
35,151
mp-1205875
-2.491162
0
Ba2InReO6
0.034702
['Ba', 'In', 'O', 'Re']
# generated using pymatgen data_Ba2InReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90742602 _cell_length_b 5.90742602 _cell_length_c 5.90742602 _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_Ba2InReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35436200 _cell_length_b 8.35436200 _cell_length_c 8.35436200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,618
19,592
mp-11282
-0.303593
0
Be2W
0
['Be', 'W']
# generated using pymatgen data_Be2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46044056 _cell_length_b 4.46044056 _cell_length_c 7.33361700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000832 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
194
194
# generated using pymatgen data_Be2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46044056 _cell_length_b 4.46044056 _cell_length_c 7.33361700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,619
13,970
mp-8714
-1.198511
1.1074
Rb2MnS2
0
['Mn', 'Rb', 'S']
# generated using pymatgen data_Rb2MnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20710626 _cell_length_b 8.20710626 _cell_length_c 8.20710626 _cell_angle_alpha 133.91683299 _cell_angle_beta 128.32171446 _cell_angle_gamma 71.71825772 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
72
72
# generated using pymatgen data_Rb2MnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42450800 _cell_length_b 7.15407000 _cell_length_c 13.30305800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,620
31,557
mp-1112037
-1.296373
0.4312
K2CuSbBr6
0.02395
['Br', 'Cu', 'K', 'Sb']
# generated using pymatgen data_K2CuSbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73132311 _cell_length_b 7.73132311 _cell_length_c 7.73132311 _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_K2CuSbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.93374200 _cell_length_b 10.93374200 _cell_length_c 10.93374200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,621
18,779
mp-28099
-0.563549
2.3074
SBr
0
['Br', 'S']
# generated using pymatgen data_SBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75365386 _cell_length_b 4.75365386 _cell_length_c 14.25809500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.49930724 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
41
41
# generated using pymatgen data_SBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55468800 _cell_length_b 7.71585000 _cell_length_c 14.25809500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SB...
25,622
4,266
mp-21365
-0.700003
1.5012
InSbS3
0
['In', 'S', 'Sb']
# generated using pymatgen data_InSbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89272700 _cell_length_b 9.54115700 _cell_length_c 13.50801300 _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_InSbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89272700 _cell_length_b 9.54115700 _cell_length_c 13.50801300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,623
33,995
mvc-12662
-2.487211
1.3982
MgMnO2
0.029073
['Mg', 'Mn', 'O']
# generated using pymatgen data_MgMnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09869100 _cell_length_b 7.59289700 _cell_length_c 7.61633581 _cell_angle_alpha 70.57445797 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_MgMnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59289700 _cell_length_b 3.09869100 _cell_length_c 7.61633581 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.42554203 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,624
396
mp-696132
-0.330033
0
Zr5ZnPb3
0
['Pb', 'Zn', 'Zr']
# generated using pymatgen data_Zr5ZnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83727778 _cell_length_b 8.83727778 _cell_length_c 5.95635200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999839 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
193
193
# generated using pymatgen data_Zr5ZnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83727778 _cell_length_b 8.83727778 _cell_length_c 5.95635200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,625
33,118
mp-1187861
-0.887451
0
YLuIr2
0.02874
['Ir', 'Lu', 'Y']
# generated using pymatgen data_YLuIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80814651 _cell_length_b 4.80814651 _cell_length_c 4.80814651 _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_YLuIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79974600 _cell_length_b 6.79974600 _cell_length_c 6.79974600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,626
18,516
mp-1068217
-0.585638
0
Tb2Ni2Sn
0
['Ni', 'Sn', 'Tb']
# generated using pymatgen data_Tb2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45767863 _cell_length_b 5.45767863 _cell_length_c 5.45767863 _cell_angle_alpha 134.23253398 _cell_angle_beta 116.86045254 _cell_angle_gamma 81.40835707 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
71
71
# generated using pymatgen data_Tb2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24457200 _cell_length_b 5.71458800 _cell_length_c 8.27478801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,627
43,454
mp-779987
-2.365384
1.5145
Fe3OF5
0.069763
['F', 'Fe', 'O']
# generated using pymatgen data_Fe3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31584912 _cell_length_b 5.79605232 _cell_length_c 5.79605232 _cell_angle_alpha 74.14564015 _cell_angle_beta 74.15262157 _cell_angle_gamma 74.15262157 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Fe3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24899239 _cell_length_b 6.98806337 _cell_length_c 7.31584912 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.01438385 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,628
5,889
mp-570005
-1.0087
3.119
SbBr3
0
['Br', 'Sb']
# generated using pymatgen data_SbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17013800 _cell_length_b 8.74564800 _cell_length_c 10.34172000 _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_SbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17013800 _cell_length_b 8.74564800 _cell_length_c 10.34172000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,629
33,979
mp-977164
-0.564315
1.9597
Li3H3N2
0.029129
['H', 'Li', 'N']
# generated using pymatgen data_Li3H3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46047900 _cell_length_b 3.72946300 _cell_length_c 5.14346119 _cell_angle_alpha 88.17387607 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_Li3H3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72946300 _cell_length_b 3.46047900 _cell_length_c 5.14346119 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.82612393 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,630
32,446
mp-777475
-2.959895
4.009
Li3FeF6
0.025393
['F', 'Fe', 'Li']
# generated using pymatgen data_Li3FeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13397048 _cell_length_b 5.13397048 _cell_length_c 9.52792200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000622 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
163
163
# generated using pymatgen data_Li3FeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13397048 _cell_length_b 5.13397048 _cell_length_c 9.52792200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,631
15,456
mp-865987
-0.34014
0
Li2AgPd
0
['Li', 'Ag', 'Pd']
# generated using pymatgen data_Li2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35631234 _cell_length_b 4.35631234 _cell_length_c 4.35631234 _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_Li2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16075599 _cell_length_b 6.16075599 _cell_length_c 6.16075599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,632
4,555
mp-1095333
-0.354071
0
EuIn4Ir
0
['Eu', 'In', 'Ir']
# generated using pymatgen data_EuIn4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91974912 _cell_length_b 8.91974912 _cell_length_c 7.39411100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.20543726 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_EuIn4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58630200 _cell_length_b 17.23988200 _cell_length_c 7.39411100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,633
12,941
mp-864970
-0.368464
0
MnSiTc2
0
['Mn', 'Si', 'Tc']
# generated using pymatgen data_MnSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21485705 _cell_length_b 4.21485705 _cell_length_c 4.21485705 _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_MnSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96070800 _cell_length_b 5.96070800 _cell_length_c 5.96070800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,634
25,630
mp-1186978
-0.817245
0
ScCdPt2
0.009696
['Cd', 'Pt', 'Sc']
# generated using pymatgen data_ScCdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65316001 _cell_length_b 4.65316001 _cell_length_c 4.65316001 _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_ScCdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58056199 _cell_length_b 6.58056199 _cell_length_c 6.58056199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,635
19,433
mp-861672
-0.66772
0
Ti2FeIr
0
['Ti', 'Fe', 'Ir']
# generated using pymatgen data_Ti2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32925561 _cell_length_b 4.32925561 _cell_length_c 4.32925561 _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_Ti2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12249200 _cell_length_b 6.12249200 _cell_length_c 6.12249200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,636
23,268
mp-1228061
-2.293952
2.2402
Ba4Cu2IBrO4
0.004434
['Ba', 'Br', 'Cu', 'I', 'O']
# generated using pymatgen data_Ba4Cu2IBrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38759800 _cell_length_b 7.59772800 _cell_length_c 10.40202644 _cell_angle_alpha 75.80208470 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
10
10
# generated using pymatgen data_Ba4Cu2IBrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59772800 _cell_length_b 4.38759800 _cell_length_c 10.40202644 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.19791530 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,637
30,140
mp-1207253
-0.505988
0
Ce2Ge6Pd
0.019362
['Ce', 'Ge', 'Pd']
# generated using pymatgen data_Ce2Ge6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12196100 _cell_length_b 4.15852900 _cell_length_c 11.29665742 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.51201236 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
38
38
# generated using pymatgen data_Ce2Ge6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12196100 _cell_length_b 22.21412399 _cell_length_c 4.15852900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,638
35,186
mp-1216780
-0.410059
0
UMnFeSi2
0.034266
['Fe', 'Mn', 'Si', 'U']
# generated using pymatgen data_UMnFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98594200 _cell_length_b 3.98594200 _cell_length_c 5.39178354 _cell_angle_alpha 68.30713056 _cell_angle_beta 68.30713056 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_UMnFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98594200 _cell_length_b 3.98594200 _cell_length_c 9.19292400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,639
40,608
mp-1177875
-3.082722
0
Li2Ti3NbO8
0.05827
['Li', 'Nb', 'O', 'Ti']
# generated using pymatgen data_Li2Ti3NbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04898257 _cell_length_b 6.04898257 _cell_length_c 6.04898220 _cell_angle_alpha 60.07893126 _cell_angle_beta 60.07893126 _cell_angle_gamma 60.07893294 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li2Ti3NbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05619783 _cell_length_b 6.05619783 _cell_length_c 14.80807561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,640
7,855
mp-505040
-1.480404
1.5827
Cs2K4Fe2O5
0
['Cs', 'Fe', 'K', 'O']
# generated using pymatgen data_Cs2K4Fe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79650407 _cell_length_b 7.04300681 _cell_length_c 6.79650394 _cell_angle_alpha 90.11197311 _cell_angle_beta 117.02280807 _cell_angle_gamma 90.11195423 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Cs2K4Fe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10002020 _cell_length_b 11.59135799 _cell_length_c 7.04300681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.21435511 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,641
34,662
mp-1205612
-3.489854
5.6869
Rb3SmF6
0.032585
['F', 'Rb', 'Sm']
# generated using pymatgen data_Rb3SmF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96847510 _cell_length_b 6.96847510 _cell_length_c 6.96847510 _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_Rb3SmF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85491200 _cell_length_b 9.85491200 _cell_length_c 9.85491200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,642
31,881
mp-568115
-0.793401
0
Zr5Si3
0.023194
['Si', 'Zr']
# generated using pymatgen data_Zr5Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01803302 _cell_length_b 8.01803302 _cell_length_c 5.57493200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999191 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Zr5Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01803302 _cell_length_b 8.01803302 _cell_length_c 5.57493200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,643
8,013
mp-1068024
-0.536185
0
Ho2InNi2
0
['Ho', 'In', 'Ni']
# generated using pymatgen data_Ho2InNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36275119 _cell_length_b 7.36275145 _cell_length_c 3.60998900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.98338351 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_Ho2InNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93727700 _cell_length_b 14.18937200 _cell_length_c 3.60998900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,644
11,008
mp-1025285
-0.535182
0
Ce2Re2Si2C
0
['Ce', 'Re', 'Si', 'C']
# generated using pymatgen data_Ce2Re2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89323618 _cell_length_b 5.89323618 _cell_length_c 7.01455819 _cell_angle_alpha 54.60464578 _cell_angle_beta 54.60464578 _cell_angle_gamma 40.79314564 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Ce2Re2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04749399 _cell_length_b 4.10777400 _cell_length_c 7.01455819 _cell_angle_alpha 90.00000000 _cell_angle_beta 128.16726993 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,645
22,959
mp-865761
-0.677064
0
ThZnRh2
0.003322
['Rh', 'Th', 'Zn']
# generated using pymatgen data_ThZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72523399 _cell_length_b 4.72523399 _cell_length_c 4.72523399 _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_ThZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68248999 _cell_length_b 6.68248999 _cell_length_c 6.68248999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,646
14,530
mp-1078948
-0.732523
0
Nd(BIr)2
0
['B', 'Ir', 'Nd']
# generated using pymatgen data_Nd(BIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14771405 _cell_length_b 6.15216981 _cell_length_c 5.59163196 _cell_angle_alpha 74.81142640 _cell_angle_beta 56.16582923 _cell_angle_gamma 49.02274437 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
70
70
# generated using pymatgen data_Nd(BIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00428600 _cell_length_b 9.43472000 _cell_length_c 10.73989400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,647
6,600
mp-11594
-0.621123
0
PrB2Ir3
0
['Pr', 'B', 'Ir']
# generated using pymatgen data_PrB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53790353 _cell_length_b 5.53790353 _cell_length_c 3.17678900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999433 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_PrB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53790353 _cell_length_b 5.53790353 _cell_length_c 3.17678900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,648
9,543
mp-1092296
-0.800155
0
DyGa2Pd
0
['Dy', 'Ga', 'Pd']
# generated using pymatgen data_DyGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56495199 _cell_length_b 5.56495199 _cell_length_c 6.59264400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 132.85199621 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_DyGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45121800 _cell_length_b 10.20104999 _cell_length_c 6.59264400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,649
39,892
mp-753499
-1.943453
2.2242
Li2Ni3O3F2
0.053776
['F', 'Li', 'Ni', 'O']
# generated using pymatgen data_Li2Ni3O3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70394096 _cell_length_b 10.70394096 _cell_length_c 10.70394096 _cell_angle_alpha 164.13937831 _cell_angle_beta 164.13937831 _cell_angle_gamma 22.50311305 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
139
139
# generated using pymatgen data_Li2Ni3O3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95361400 _cell_length_b 2.95361400 _cell_length_c 20.99642200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,650
11,892
mp-5796
-0.605266
0
Ho(MnSi)2
0
['Ho', 'Mn', 'Si']
# generated using pymatgen data_Ho(MnSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83518002 _cell_length_b 5.83518002 _cell_length_c 5.83518002 _cell_angle_alpha 141.10167229 _cell_angle_beta 141.10167229 _cell_angle_gamma 56.18432380 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ho(MnSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88588400 _cell_length_b 3.88588400 _cell_length_c 10.29549001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,651
869
mp-22951
-3.147391
4.0286
BaIF
0
['Ba', 'F', 'I']
# generated using pymatgen data_BaIF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72223000 _cell_length_b 4.72223000 _cell_length_c 8.09880900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba...
129
129
# generated using pymatgen data_BaIF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72223000 _cell_length_b 4.72223000 _cell_length_c 8.09880900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba...
25,652
23,538
mp-1095247
-0.984901
0
ScGeRh
0.005145
['Ge', 'Rh', 'Sc']
# generated using pymatgen data_ScGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16707500 _cell_length_b 6.54527900 _cell_length_c 7.47194100 _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_ScGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16707500 _cell_length_b 6.54527900 _cell_length_c 7.47194100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,653
18,479
mp-973964
-0.47363
0
Lu2GaAg
0
['Ag', 'Ga', 'Lu']
# generated using pymatgen data_Lu2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00935374 _cell_length_b 5.00935374 _cell_length_c 5.00935374 _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_Lu2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08429600 _cell_length_b 7.08429600 _cell_length_c 7.08429600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,654
30,024
mp-1079056
-2.784398
2.5043
ZrTi(PbO3)2
0.018797
['O', 'Pb', 'Ti', 'Zr']
# generated using pymatgen data_ZrTi(PbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69315100 _cell_length_b 5.69315100 _cell_length_c 4.43006000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
99
99
# generated using pymatgen data_ZrTi(PbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69315100 _cell_length_b 5.69315100 _cell_length_c 4.43006000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,655
37,695
mp-1218147
-3.158232
1.8126
SrLaTiFeO6
0.044357
['Fe', 'La', 'O', 'Sr', 'Ti']
# generated using pymatgen data_SrLaTiFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58476472 _cell_length_b 5.58477956 _cell_length_c 9.67304234 _cell_angle_alpha 73.22031492 _cell_angle_beta 73.22026461 _cell_angle_gamma 60.00305329 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
216
216
# generated using pymatgen data_SrLaTiFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89809817 _cell_length_b 7.89809817 _cell_length_c 7.89809817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,656
18,342
mp-3751
-3.28352
4.5016
AlTlF4
0
['Al', 'Tl', 'F']
# generated using pymatgen data_AlTlF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42035610 _cell_length_b 7.42035610 _cell_length_c 5.20513221 _cell_angle_alpha 69.83650532 _cell_angle_beta 69.83650532 _cell_angle_gamma 40.79659411 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_AlTlF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.91008600 _cell_length_b 5.17264400 _cell_length_c 5.20513221 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.57763841 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,657
22,309
mp-20244
-1.420402
1.2471
ZrPbS3
0.002771
['Pb', 'S', 'Zr']
# generated using pymatgen data_ZrPbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81662600 _cell_length_b 9.22525500 _cell_length_c 14.17110900 _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_ZrPbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81662600 _cell_length_b 9.22525500 _cell_length_c 14.17110900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,658
26,481
mp-978912
-0.800639
0
TbYIr2
0.01055
['Ir', 'Tb', 'Y']
# generated using pymatgen data_TbYIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86731296 _cell_length_b 4.86731296 _cell_length_c 4.86731296 _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_TbYIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88342000 _cell_length_b 6.88342000 _cell_length_c 6.88342000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,659
35,417
mp-753200
-2.810083
1.9998
VOF
0.0356
['F', 'O', 'V']
# generated using pymatgen data_VOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33277100 _cell_length_b 3.78041300 _cell_length_c 10.06008900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
19
19
# generated using pymatgen data_VOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33277100 _cell_length_b 3.78041300 _cell_length_c 10.06008900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
25,660
20,148
mp-1216819
-1.014057
0
TmUTe6
0.000198
['Te', 'Tm', 'U']
# generated using pymatgen data_TmUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.09233714 _cell_length_b 13.09233714 _cell_length_c 4.36746100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.83663972 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
38
38
# generated using pymatgen data_TmUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35853000 _cell_length_b 25.81938000 _cell_length_c 4.36746100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,661
17,153
mp-1206962
-3.583277
6.1518
LiTaF6
0
['F', 'Li', 'Ta']
# generated using pymatgen data_LiTaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64412633 _cell_length_b 5.64412633 _cell_length_c 5.64412633 _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_LiTaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98200000 _cell_length_b 7.98200000 _cell_length_c 7.98200000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,662
41,891
mp-754151
-2.782578
2.8141
VOF
0.063106
['F', 'O', 'V']
# generated using pymatgen data_VOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44077400 _cell_length_b 3.44079775 _cell_length_c 6.33959658 _cell_angle_alpha 74.25396436 _cell_angle_beta 90.00009302 _cell_angle_gamma 60.00044101 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOF...
166
166
# generated using pymatgen data_VOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44078587 _cell_length_b 3.44078587 _cell_length_c 18.06092801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
25,663
23,400
mp-571100
-1.357248
1.8386
CsAgBr2
0.004946
['Ag', 'Br', 'Cs']
# generated using pymatgen data_CsAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36992800 _cell_length_b 5.36992800 _cell_length_c 10.43071600 _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_CsAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36992800 _cell_length_b 5.36992800 _cell_length_c 10.43071600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,664
2,550
mp-1095459
-0.452881
0
CeNi4B
0
['B', 'Ce', 'Ni']
# generated using pymatgen data_CeNi4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99499650 _cell_length_b 4.99499650 _cell_length_c 7.03400600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000656 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_CeNi4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99499650 _cell_length_b 4.99499650 _cell_length_c 7.03400600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,665
18,344
mp-3862
-0.390841
0
Ca(AlGe)2
0
['Ca', 'Al', 'Ge']
# generated using pymatgen data_Ca(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20449657 _cell_length_b 4.20449657 _cell_length_c 7.17580300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000891 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Ca(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20449657 _cell_length_b 4.20449657 _cell_length_c 7.17580300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,666
11,922
mp-7429
-0.523428
0
Ca(ZnSb)2
0
['Ca', 'Zn', 'Sb']
# generated using pymatgen data_Ca(ZnSb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49650650 _cell_length_b 4.49650650 _cell_length_c 7.48537100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000734 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Ca(ZnSb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49650650 _cell_length_b 4.49650650 _cell_length_c 7.48537100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,667
40,582
mp-1112589
-2.158945
0
Cs2HgPdF6
0.057318
['Cs', 'F', 'Hg', 'Pd']
# generated using pymatgen data_Cs2HgPdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45417937 _cell_length_b 6.45417937 _cell_length_c 6.45417937 _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_Cs2HgPdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12758800 _cell_length_b 9.12758800 _cell_length_c 9.12758800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,668
24,207
mp-1217964
-0.410293
0
TaB2Mo3C2
0.006041
['B', 'C', 'Mo', 'Ta']
# generated using pymatgen data_TaB2Mo3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92919694 _cell_length_b 8.92919694 _cell_length_c 3.10013900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.77675797 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
38
38
# generated using pymatgen data_TaB2Mo3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13533400 _cell_length_b 17.58101000 _cell_length_c 3.10013900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,669
23,915
mp-753983
-1.603249
0.3618
In2HgO4
0.005526
['Hg', 'In', 'O']
# generated using pymatgen data_In2HgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66567359 _cell_length_b 6.66567359 _cell_length_c 6.66567359 _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_In2HgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42668599 _cell_length_b 9.42668599 _cell_length_c 9.42668599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,670
26,065
mp-1179013
-0.385805
0
TiNi
0.01005
['Ni', 'Ti']
# generated using pymatgen data_TiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79988600 _cell_length_b 4.17109013 _cell_length_c 4.67097924 _cell_angle_alpha 89.89054516 _cell_angle_beta 95.55133370 _cell_angle_gamma 89.98201905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti...
11
11
# generated using pymatgen data_TiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79988600 _cell_length_b 4.17109013 _cell_length_c 4.67097924 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.55133370 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti...
25,671
39,316
mp-21060
-1.752823
2.0462
NaFeO2
0.049854
['Fe', 'Na', 'O']
# generated using pymatgen data_NaFeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43553800 _cell_length_b 5.79354900 _cell_length_c 7.26280400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
33
33
# generated using pymatgen data_NaFeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43553800 _cell_length_b 5.79354900 _cell_length_c 7.26280400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,672
5,650
mp-1206280
-0.891553
0
Li3YSb2
0
['Li', 'Sb', 'Y']
# generated using pymatgen data_Li3YSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55918522 _cell_length_b 4.55918522 _cell_length_c 7.16315600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998873 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Li3YSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55918522 _cell_length_b 4.55918522 _cell_length_c 7.16315600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,673
3,288
mp-22978
-1.954064
1.2878
Rb2MnCl4
0
['Rb', 'Mn', 'Cl']
# generated using pymatgen data_Rb2MnCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91200916 _cell_length_b 8.91200916 _cell_length_c 8.91200916 _cell_angle_alpha 146.67783407 _cell_angle_beta 146.67783407 _cell_angle_gamma 47.84103945 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Rb2MnCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11032200 _cell_length_b 5.11032200 _cell_length_c 16.29309201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,674
23,353
mp-35777
-0.720519
0.6792
Mg(InTe2)2
0.004734
['Mg', 'In', 'Te']
# generated using pymatgen data_Mg(InTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78159140 _cell_length_b 7.78159140 _cell_length_c 7.78159140 _cell_angle_alpha 131.92613531 _cell_angle_beta 131.92613531 _cell_angle_gamma 70.34571318 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
121
121
# generated using pymatgen data_Mg(InTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33928000 _cell_length_b 6.33928000 _cell_length_c 12.72162400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,675
26,600
mp-1184750
-0.258785
0
HoErCu2
0.011217
['Cu', 'Er', 'Ho']
# generated using pymatgen data_HoErCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80574659 _cell_length_b 4.80574659 _cell_length_c 4.80574659 _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_HoErCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79635200 _cell_length_b 6.79635200 _cell_length_c 6.79635200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,676
1,086
mp-1111105
-2.742466
2.9932
K2NaCoF6
0
['Co', 'F', 'K', 'Na']
# generated using pymatgen data_K2NaCoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85691200 _cell_length_b 5.85691236 _cell_length_c 5.85691235 _cell_angle_alpha 60.00000128 _cell_angle_beta 60.00000197 _cell_angle_gamma 60.00000206 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
225
225
# generated using pymatgen data_K2NaCoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28292483 _cell_length_b 8.28292483 _cell_length_c 8.28292483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,677
32,858
mp-38407
-0.520009
0
Li5SiAs3
0.025874
['As', 'Li', 'Si']
# generated using pymatgen data_Li5SiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32757693 _cell_length_b 7.32757693 _cell_length_c 8.54600969 _cell_angle_alpha 73.24727086 _cell_angle_beta 73.24727086 _cell_angle_gamma 48.42324012 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Li5SiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.36604200 _cell_length_b 6.01019600 _cell_length_c 8.54600969 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.42372281 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,678
18,685
mp-1226281
-0.521869
0.7251
CrAg(PSe3)2
0
['Ag', 'Cr', 'P', 'Se']
# generated using pymatgen data_CrAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38107207 _cell_length_b 6.38107207 _cell_length_c 7.35060062 _cell_angle_alpha 81.96469240 _cell_angle_beta 81.96469240 _cell_angle_gamma 119.99811376 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
5
5
# generated using pymatgen data_CrAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38125400 _cell_length_b 11.05223599 _cell_length_c 7.35060062 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.23386546 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,679
12,288
mp-27857
-0.69478
0.9432
PdBr2
0
['Br', 'Pd']
# generated using pymatgen data_PdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39353973 _cell_length_b 7.39353973 _cell_length_c 6.64543301 _cell_angle_alpha 77.99048066 _cell_angle_beta 77.99048066 _cell_angle_gamma 37.84904671 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
15
15
# generated using pymatgen data_PdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.98778800 _cell_length_b 4.79578000 _cell_length_c 6.64543301 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.70691832 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,680
6,511
mp-10379
-0.434848
0
Hf3(Cu2Ge)2
0
['Hf', 'Cu', 'Ge']
# generated using pymatgen data_Hf3(Cu2Ge)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39214752 _cell_length_b 6.39214752 _cell_length_c 3.99482000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999505 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
189
189
# generated using pymatgen data_Hf3(Cu2Ge)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39214752 _cell_length_b 6.39214752 _cell_length_c 3.99482000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,681
18,117
mp-1186456
-0.125002
0
Pm2CoNi
0
['Co', 'Ni', 'Pm']
# generated using pymatgen data_Pm2CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85378176 _cell_length_b 4.85378176 _cell_length_c 4.85378176 _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_Pm2CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86428399 _cell_length_b 6.86428399 _cell_length_c 6.86428399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,682
12,508
mp-1018954
-1.616688
0
PuSe2
0
['Pu', 'Se']
# generated using pymatgen data_PuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09448200 _cell_length_b 4.09448200 _cell_length_c 8.26400700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
129
129
# generated using pymatgen data_PuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09448200 _cell_length_b 4.09448200 _cell_length_c 8.26400700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
25,683
40,028
mp-1078778
-0.782766
0
Ce(SbPd)2
0.05432
['Ce', 'Pd', 'Sb']
# generated using pymatgen data_Ce(SbPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67372100 _cell_length_b 4.67372100 _cell_length_c 10.47085100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
129
129
# generated using pymatgen data_Ce(SbPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67372100 _cell_length_b 4.67372100 _cell_length_c 10.47085100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,684
25,480
mp-976971
0.001323
0
NaPd3
0.008718
['Na', 'Pd']
# generated using pymatgen data_NaPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95359260 _cell_length_b 4.95359260 _cell_length_c 4.95359260 _cell_angle_alpha 132.17852646 _cell_angle_beta 132.17852646 _cell_angle_gamma 69.94720949 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_NaPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01551000 _cell_length_b 4.01551000 _cell_length_c 8.11810800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,685
23,759
mp-1228272
-2.96595
1.4273
Ba3UIn2O9
0.005641
['Ba', 'In', 'O', 'U']
# generated using pymatgen data_Ba3UIn2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09127175 _cell_length_b 6.09127175 _cell_length_c 7.51729900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999724 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Ba3UIn2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09127175 _cell_length_b 6.09127175 _cell_length_c 7.51729900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,686
23,618
mp-1187573
-0.057802
0
YbMg
0.005567
['Mg', 'Yb']
# generated using pymatgen data_YbMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97502600 _cell_length_b 3.97502600 _cell_length_c 3.85955700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb...
123
123
# generated using pymatgen data_YbMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97502600 _cell_length_b 3.97502600 _cell_length_c 3.85955700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb...
25,687
37,559
mp-1103534
-1.029957
0
K(Mo3S4)2
0.043817
['K', 'Mo', 'S']
# generated using pymatgen data_K(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65147003 _cell_length_b 6.65147003 _cell_length_c 6.65147012 _cell_angle_alpha 88.94173200 _cell_angle_beta 88.94173200 _cell_angle_gamma 88.94173121 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_K(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31932806 _cell_length_b 9.31932806 _cell_length_c 11.73153264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,688
10,304
mp-25448
-2.757804
2.2821
LiCrPO4F
0
['Cr', 'F', 'Li', 'O', 'P']
# generated using pymatgen data_LiCrPO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20330500 _cell_length_b 5.35509863 _cell_length_c 7.28399711 _cell_angle_alpha 106.97999773 _cell_angle_beta 108.37660223 _cell_angle_gamma 98.10905652 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2
2
# generated using pymatgen data_LiCrPO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20330500 _cell_length_b 5.35509863 _cell_length_c 7.28399711 _cell_angle_alpha 106.97999773 _cell_angle_beta 108.37660223 _cell_angle_gamma 98.10905652 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,689
31,018
mp-1070613
-0.510351
0
Sr(SbRu)2
0.022314
['Ru', 'Sb', 'Sr']
# generated using pymatgen data_Sr(SbRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54380421 _cell_length_b 6.54380421 _cell_length_c 6.54380421 _cell_angle_alpha 139.83609429 _cell_angle_beta 139.83609429 _cell_angle_gamma 58.10225073 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Sr(SbRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49381200 _cell_length_b 4.49381200 _cell_length_c 11.44101401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,690
3,913
mp-7714
-2.893856
2.1041
Li4UO5
0
['Li', 'U', 'O']
# generated using pymatgen data_Li4UO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29196253 _cell_length_b 5.29196253 _cell_length_c 5.29196253 _cell_angle_alpha 100.23596671 _cell_angle_beta 100.23596671 _cell_angle_gamma 130.13531347 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
87
87
# generated using pymatgen data_Li4UO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78650600 _cell_length_b 6.78650600 _cell_length_c 4.46163000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,691
3,911
mp-7643
-0.457219
1.6159
K2AgSb
0
['K', 'Ag', 'Sb']
# generated using pymatgen data_K2AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75906623 _cell_length_b 6.75906623 _cell_length_c 6.36017300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.41930173 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_K2AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37646800 _cell_length_b 10.61012201 _cell_length_c 6.36017300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,692
30,441
mp-864952
-0.118775
0
Mg3Ag
0.019562
['Mg', 'Ag']
# generated using pymatgen data_Mg3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16754196 _cell_length_b 6.16754196 _cell_length_c 4.91620600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999953 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Mg3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16754196 _cell_length_b 6.16754196 _cell_length_c 4.91620600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,693
39,329
mp-25971
-2.583673
3.2642
LiMnPO4
0.050066
['Li', 'Mn', 'O', 'P']
# generated using pymatgen data_LiMnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37785760 _cell_length_b 6.34937446 _cell_length_c 5.54360030 _cell_angle_alpha 76.34972865 _cell_angle_beta 56.75045098 _cell_angle_gamma 46.89982038 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
43
43
# generated using pymatgen data_LiMnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76424800 _cell_length_b 9.47098000 _cell_length_c 11.31510800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,694
4,700
mp-1225882
-0.732496
0
Cu2AgO4
0
['Ag', 'Cu', 'O']
# generated using pymatgen data_Cu2AgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73674200 _cell_length_b 4.78830055 _cell_length_c 5.26442329 _cell_angle_alpha 82.63428734 _cell_angle_beta 88.31563201 _cell_angle_gamma 80.91188012 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Cu2AgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73674200 _cell_length_b 4.78830055 _cell_length_c 5.26442329 _cell_angle_alpha 82.63428734 _cell_angle_beta 88.31563201 _cell_angle_gamma 80.91188012 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,695
34,066
mp-1112444
-2.323068
0.4761
K2TlAgF6
0.030783
['Ag', 'F', 'K', 'Tl']
# generated using pymatgen data_K2TlAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47055879 _cell_length_b 6.47055879 _cell_length_c 6.47055879 _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_K2TlAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15075200 _cell_length_b 9.15075200 _cell_length_c 9.15075200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,696
31,315
mp-1523046
-3.660886
2.4253
Sr2HfTiO6
0.021715
['Hf', 'O', 'Sr', 'Ti']
# generated using pymatgen data_Sr2HfTiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71707498 _cell_length_b 5.71707498 _cell_length_c 5.71707498 _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_Sr2HfTiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08516497 _cell_length_b 8.08516497 _cell_length_c 8.08516497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,697
33,538
mp-1094963
0.010466
0
CeMg
0.029271
['Ce', 'Mg']
# generated using pymatgen data_CeMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16166900 _cell_length_b 5.20093000 _cell_length_c 6.15708900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce...
51
51
# generated using pymatgen data_CeMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16166900 _cell_length_b 5.20093000 _cell_length_c 6.15708900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce...
25,698
643
mp-1220743
-0.307518
0
Nb(GaNi4)3
0
['Ga', 'Nb', 'Ni']
# generated using pymatgen data_Nb(GaNi4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61307900 _cell_length_b 3.61307900 _cell_length_c 14.22978800 _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_Nb(GaNi4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61307900 _cell_length_b 3.61307900 _cell_length_c 14.22978800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,699
26,198
mp-1220800
-2.17507
2.7363
NaVMoO6
0.009967
['Mo', 'Na', 'O', 'V']
# generated using pymatgen data_NaVMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73250837 _cell_length_b 5.14386808 _cell_length_c 7.35507800 _cell_angle_alpha 110.63629840 _cell_angle_beta 90.09629627 _cell_angle_gamma 68.67071186 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_NaVMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.58308664 _cell_length_b 3.73250837 _cell_length_c 7.35507800 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.19095955 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...