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
25,500
20,011
mp-1028698
-0.872056
1.6769
WSe2
0.000157
['W', 'Se']
# generated using pymatgen data_WSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32706901 _cell_length_b 3.32706901 _cell_length_c 40.13790100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998037 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_WSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32706901 _cell_length_b 3.32706901 _cell_length_c 40.13790100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,501
35,014
mp-1039471
-0.063627
0
MgCd
0.035304
['Cd', 'Mg']
# generated using pymatgen data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86589094 _cell_length_b 5.86589094 _cell_length_c 7.42581310 _cell_angle_alpha 76.58145329 _cell_angle_beta 76.58145329 _cell_angle_gamma 32.07746327 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
8
8
# generated using pymatgen data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.27512399 _cell_length_b 3.24134000 _cell_length_c 7.42581310 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.97282353 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,502
30,901
mp-754053
-2.100451
1.7286
FeOF
0.020666
['F', 'Fe', 'O']
# generated using pymatgen data_FeOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68367700 _cell_length_b 5.73324223 _cell_length_c 5.08808510 _cell_angle_alpha 91.17630900 _cell_angle_beta 89.99889404 _cell_angle_gamma 90.00139820 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe...
14
14
# generated using pymatgen data_FeOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08808510 _cell_length_b 4.68367700 _cell_length_c 5.73324223 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.17630900 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe...
25,503
28,078
mp-1183222
-0.045079
0
AgPd
0.013803
['Ag', 'Pd']
# generated using pymatgen data_AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85903977 _cell_length_b 2.85903977 _cell_length_c 4.70011400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999458 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
187
187
# generated using pymatgen data_AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85903977 _cell_length_b 2.85903977 _cell_length_c 4.70011400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
25,504
29,470
mp-972494
-0.088131
0
SmMg3
0.017205
['Sm', 'Mg']
# generated using pymatgen data_SmMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77124819 _cell_length_b 6.77124819 _cell_length_c 5.20310800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000183 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_SmMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77124819 _cell_length_b 6.77124819 _cell_length_c 5.20310800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,505
21,343
mp-4699
-3.067274
2.389
NaTaO3
0.001387
['Na', 'Ta', 'O']
# generated using pymatgen data_NaTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55708168 _cell_length_b 5.55708168 _cell_length_c 7.90282600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.51470065 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_NaTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82352200 _cell_length_b 7.89412000 _cell_length_c 7.90282600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,506
7,061
mp-1102510
-2.35666
0
Ho5S7
0
['Ho', 'S']
# generated using pymatgen data_Ho5S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65828936 _cell_length_b 6.65828936 _cell_length_c 11.56804340 _cell_angle_alpha 76.05487585 _cell_angle_beta 76.05487585 _cell_angle_gamma 33.05093788 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ho5S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.76651600 _cell_length_b 3.78778800 _cell_length_c 11.56804340 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.55894928 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,507
31,815
mp-21148
-0.274273
0
PrInCu2
0.023685
['Cu', 'In', 'Pr']
# generated using pymatgen data_PrInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81762598 _cell_length_b 4.81762598 _cell_length_c 4.81762598 _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_PrInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81315200 _cell_length_b 6.81315200 _cell_length_c 6.81315200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,508
33,164
mp-1215772
-0.973806
0
YbUTe6
0.027242
['Te', 'U', 'Yb']
# generated using pymatgen data_YbUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.93140323 _cell_length_b 12.93140323 _cell_length_c 4.39134900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.53546748 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
38
38
# generated using pymatgen data_YbUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37196400 _cell_length_b 25.49060001 _cell_length_c 4.39134900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,509
19,503
mp-1018031
-1.918142
2.0802
KInO2
0
['K', 'In', 'O']
# generated using pymatgen data_KInO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47963801 _cell_length_b 6.47963801 _cell_length_c 6.47963785 _cell_angle_alpha 30.08350338 _cell_angle_beta 30.08350338 _cell_angle_gamma 30.08350101 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
166
166
# generated using pymatgen data_KInO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36322811 _cell_length_b 3.36322811 _cell_length_c 18.54555100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,510
31,123
mp-1186888
-2.979447
0
RbPuO3
0.022021
['O', 'Pu', 'Rb']
# generated using pymatgen data_RbPuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31941500 _cell_length_b 4.31941500 _cell_length_c 4.31941500 _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_RbPuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31941500 _cell_length_b 4.31941500 _cell_length_c 4.31941500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,511
1,931
mp-862690
0
0
Ac
0
['Ac']
# generated using pymatgen data_Ac _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02082114 _cell_length_b 4.02082114 _cell_length_c 13.00338000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998581 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac...
194
194
# generated using pymatgen data_Ac _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02082114 _cell_length_b 4.02082114 _cell_length_c 13.00338000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac...
25,512
10,701
mp-14091
-0.855273
1.7174
AlAgSe2
0
['Al', 'Ag', 'Se']
# generated using pymatgen data_AlAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01049566 _cell_length_b 7.01049566 _cell_length_c 7.01049566 _cell_angle_alpha 128.94092151 _cell_angle_beta 128.94092151 _cell_angle_gamma 75.10565212 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
122
122
# generated using pymatgen data_AlAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04271600 _cell_length_b 6.04271600 _cell_length_c 11.11572599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,513
36,499
mp-1004375
-2.067819
0.2456
MgMn4O8
0.040051
['Mg', 'Mn', 'O']
# generated using pymatgen data_MgMn4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04669049 _cell_length_b 6.04669049 _cell_length_c 6.04669049 _cell_angle_alpha 122.35277100 _cell_angle_beta 122.01743585 _cell_angle_gamma 86.25546541 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
44
44
# generated using pymatgen data_MgMn4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83039800 _cell_length_b 5.86137800 _cell_length_c 8.82613000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,514
28,748
mp-1224051
-0.214593
0.0669
In5SnSb3Te
0.015399
['In', 'Sb', 'Sn', 'Te']
# generated using pymatgen data_In5SnSb3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68074900 _cell_length_b 8.16248875 _cell_length_c 8.17523862 _cell_angle_alpha 80.24415843 _cell_angle_beta 65.91478599 _cell_angle_gamma 65.85099036 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
1
1
# generated using pymatgen data_In5SnSb3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68074900 _cell_length_b 8.16248875 _cell_length_c 8.17523862 _cell_angle_alpha 80.24415843 _cell_angle_beta 65.91478599 _cell_angle_gamma 65.85099036 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,515
16,935
mp-755801
-3.220791
2.1167
LiVF4
0
['F', 'Li', 'V']
# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52248344 _cell_length_b 6.52248344 _cell_length_c 5.49734838 _cell_angle_alpha 87.81095205 _cell_angle_beta 87.81095205 _cell_angle_gamma 47.46085411 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
15
15
# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.94200200 _cell_length_b 5.24973800 _cell_length_c 5.49734838 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.39134121 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,516
42,202
mp-1220005
0.018119
0
Pr(Co5Mo)2
0.065648
['Co', 'Mo', 'Pr']
# generated using pymatgen data_Pr(Co5Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66839500 _cell_length_b 6.46344455 _cell_length_c 6.46344455 _cell_angle_alpha 97.29867750 _cell_angle_beta 111.17012531 _cell_angle_gamma 68.82987469 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Pr(Co5Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66839500 _cell_length_b 8.50722800 _cell_length_c 8.54035200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,517
3,523
mp-1072041
-0.318305
0
GdCu4Au
0
['Au', 'Cu', 'Gd']
# generated using pymatgen data_GdCu4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04955700 _cell_length_b 5.04955700 _cell_length_c 5.04955700 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
216
216
# generated using pymatgen data_GdCu4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14115199 _cell_length_b 7.14115199 _cell_length_c 7.14115199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,518
42,206
mp-1220398
-1.183287
0
NbMoS3
0.064946
['Mo', 'Nb', 'S']
# generated using pymatgen data_NbMoS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28209000 _cell_length_b 6.26914200 _cell_length_c 8.80014441 _cell_angle_alpha 75.81521402 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_NbMoS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26914200 _cell_length_b 3.28209000 _cell_length_c 8.80014441 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.18478598 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,519
19,713
mp-1548
-0.112728
0
PrMg
0
['Pr', 'Mg']
# generated using pymatgen data_PrMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91189300 _cell_length_b 3.91189300 _cell_length_c 3.91189300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr...
221
221
# generated using pymatgen data_PrMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91189300 _cell_length_b 3.91189300 _cell_length_c 3.91189300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr...
25,520
11,512
mp-1025374
-2.478078
0
ReF6
0
['Re', 'F']
# generated using pymatgen data_ReF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58094310 _cell_length_b 5.58094310 _cell_length_c 5.58094310 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
229
229
# generated using pymatgen data_ReF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44431800 _cell_length_b 6.44431800 _cell_length_c 6.44431800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re...
25,521
19,633
mp-1206014
-1.983836
0
Cs2VCl6
0
['Cl', 'Cs', 'V']
# generated using pymatgen data_Cs2VCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41672141 _cell_length_b 7.41672141 _cell_length_c 7.41672141 _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_Cs2VCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.48882801 _cell_length_b 10.48882801 _cell_length_c 10.48882801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,522
34,746
mp-1225132
-0.416353
0
EuTmB12
0.03254
['B', 'Eu', 'Tm']
# generated using pymatgen data_EuTmB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81311900 _cell_length_b 5.81311900 _cell_length_c 4.10831900 _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_EuTmB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81311900 _cell_length_b 5.81311900 _cell_length_c 4.10831900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,523
33,583
mp-1174741
-2.144787
0.7907
Li5Mn3O8
0.030265
['Li', 'Mn', 'O']
# generated using pymatgen data_Li5Mn3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05863391 _cell_length_b 5.16175386 _cell_length_c 5.76682473 _cell_angle_alpha 90.02755165 _cell_angle_beta 106.60475506 _cell_angle_gamma 98.79496125 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_Li5Mn3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05863391 _cell_length_b 5.16175386 _cell_length_c 5.76682473 _cell_angle_alpha 90.02755165 _cell_angle_beta 106.60475506 _cell_angle_gamma 98.79496125 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,524
18,354
mp-437
-0.607085
0
MgAu
0
['Mg', 'Au']
# generated using pymatgen data_MgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30523700 _cell_length_b 3.30523700 _cell_length_c 3.30523700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
221
221
# generated using pymatgen data_MgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30523700 _cell_length_b 3.30523700 _cell_length_c 3.30523700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
25,525
28,995
mvc-13470
-2.913834
0
MgBiF6
0.015366
['Mg', 'Bi', 'F']
# generated using pymatgen data_MgBiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78816042 _cell_length_b 5.78816042 _cell_length_c 5.78816015 _cell_angle_alpha 58.08965542 _cell_angle_beta 58.08965542 _cell_angle_gamma 58.08965989 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_MgBiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62023174 _cell_length_b 5.62023174 _cell_length_c 14.37929722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,526
40,014
mp-1030775
-0.769641
0.3228
Te2Mo2SeS
0.056034
['Mo', 'S', 'Se', 'Te']
# generated using pymatgen data_Te2Mo2SeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40026040 _cell_length_b 3.40026040 _cell_length_c 38.64391700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000776 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
156
156
# generated using pymatgen data_Te2Mo2SeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40026040 _cell_length_b 3.40026040 _cell_length_c 38.64391700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,527
2,911
mp-7555
-0.589161
0
LiMgSnPd
0
['Li', 'Mg', 'Sn', 'Pd']
# generated using pymatgen data_LiMgSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61185084 _cell_length_b 4.61185084 _cell_length_c 4.61185084 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
216
216
# generated using pymatgen data_LiMgSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52214201 _cell_length_b 6.52214201 _cell_length_c 6.52214201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,528
18,842
mp-556365
-2.933791
1.4964
KCrF3
0
['Cr', 'F', 'K']
# generated using pymatgen data_KCrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99177582 _cell_length_b 5.99177582 _cell_length_c 5.95453140 _cell_angle_alpha 62.20016126 _cell_angle_beta 62.20016126 _cell_angle_gamma 93.94683315 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
12
12
# generated using pymatgen data_KCrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17682800 _cell_length_b 8.76042200 _cell_length_c 5.95453140 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.11848998 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,529
27,595
mp-1184587
-0.440319
0
Hf2MnOs
0.012805
['Hf', 'Mn', 'Os']
# generated using pymatgen data_Hf2MnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54524562 _cell_length_b 4.54524562 _cell_length_c 4.54524562 _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_Hf2MnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42794800 _cell_length_b 6.42794800 _cell_length_c 6.42794800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,530
44,589
mp-1101214
-2.782842
1.4003
VOF2
0.0775
['F', 'O', 'V']
# generated using pymatgen data_VOF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10288284 _cell_length_b 3.63321200 _cell_length_c 9.40799966 _cell_angle_alpha 90.00006237 _cell_angle_beta 89.24870025 _cell_angle_gamma 90.00003387 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
71
71
# generated using pymatgen data_VOF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10288284 _cell_length_b 3.63321200 _cell_length_c 9.40799966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
25,531
9,063
mp-1103176
-1.196858
0
YSiPt
0
['Pt', 'Si', 'Y']
# generated using pymatgen data_YSiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31523400 _cell_length_b 7.02064500 _cell_length_c 7.46906300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
62
62
# generated using pymatgen data_YSiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31523400 _cell_length_b 7.02064500 _cell_length_c 7.46906300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
25,532
26,876
mp-555993
-1.035245
1.4781
CrAg3ClO4
0.011223
['Ag', 'Cl', 'Cr', 'O']
# generated using pymatgen data_CrAg3ClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47563400 _cell_length_b 7.47563400 _cell_length_c 5.37069700 _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_CrAg3ClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47563400 _cell_length_b 7.47563400 _cell_length_c 5.37069700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,533
14,436
mp-8648
-0.712096
0
TiFeSi
0
['Ti', 'Fe', 'Si']
# generated using pymatgen data_TiFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12129108 _cell_length_b 7.12129108 _cell_length_c 7.12129108 _cell_angle_alpha 127.85865614 _cell_angle_beta 121.66945916 _cell_angle_gamma 82.02542190 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
46
46
# generated using pymatgen data_TiFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25932200 _cell_length_b 6.94084400 _cell_length_c 10.74694000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,534
23,096
mp-1185953
-1.160219
1.0132
MgS2
0.004918
['Mg', 'S']
# generated using pymatgen data_MgS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97593112 _cell_length_b 3.97593112 _cell_length_c 9.13380900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.02407861 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
36
36
# generated using pymatgen data_MgS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97448400 _cell_length_b 6.88735000 _cell_length_c 9.13380900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
25,535
32,644
mp-1207099
-0.916426
0
Ho(PPd)2
0.026588
['Ho', 'P', 'Pd']
# generated using pymatgen data_Ho(PPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73169236 _cell_length_b 5.73169236 _cell_length_c 5.73169236 _cell_angle_alpha 138.22855712 _cell_angle_beta 138.22855712 _cell_angle_gamma 60.55313254 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Ho(PPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08675600 _cell_length_b 4.08675600 _cell_length_c 9.89980000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,536
901
mp-978542
-0.458107
0
SmErIn2
0
['Sm', 'Er', 'In']
# generated using pymatgen data_SmErIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35027821 _cell_length_b 5.35027821 _cell_length_c 5.35027821 _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_SmErIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56643601 _cell_length_b 7.56643601 _cell_length_c 7.56643601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,537
10,278
mp-22020
-2.25825
0
Ca2NiOsO6
0
['Ca', 'Ni', 'O', 'Os']
# generated using pymatgen data_Ca2NiOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40784820 _cell_length_b 5.61523934 _cell_length_c 7.70875249 _cell_angle_alpha 90.03181934 _cell_angle_beta 90.29463681 _cell_angle_gamma 89.97604025 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Ca2NiOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40784820 _cell_length_b 5.61523934 _cell_length_c 9.39366489 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.85286652 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,538
40,518
mp-1027802
-1.018039
0.8462
Mo3W(Se3S)2
0.056376
['Mo', 'S', 'Se', 'W']
# generated using pymatgen data_Mo3W(Se3S)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28625584 _cell_length_b 3.28625584 _cell_length_c 37.34625500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999687 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
156
156
# generated using pymatgen data_Mo3W(Se3S)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28625584 _cell_length_b 3.28625584 _cell_length_c 37.34625500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,539
19,153
mp-1206098
-3.663587
4.4939
ZrMnF6
0
['F', 'Mn', 'Zr']
# generated using pymatgen data_ZrMnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91617293 _cell_length_b 5.91617293 _cell_length_c 5.91617293 _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_ZrMnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36673199 _cell_length_b 8.36673199 _cell_length_c 8.36673199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,540
134
mp-8751
-1.345224
2.7587
RbLiS
0
['Li', 'Rb', 'S']
# generated using pymatgen data_RbLiS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43508000 _cell_length_b 4.43508000 _cell_length_c 7.36859700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
129
129
# generated using pymatgen data_RbLiS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43508000 _cell_length_b 4.43508000 _cell_length_c 7.36859700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
25,541
10,928
mp-862554
-0.621028
0
LiEr2Ir
0
['Er', 'Ir', 'Li']
# generated using pymatgen data_LiEr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86578561 _cell_length_b 4.86578561 _cell_length_c 4.86578561 _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_LiEr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88126000 _cell_length_b 6.88126000 _cell_length_c 6.88126000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,542
36,396
mp-754978
-1.043934
0
CdCu2O3
0.0395
['Cd', 'Cu', 'O']
# generated using pymatgen data_CdCu2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68022200 _cell_length_b 4.00179300 _cell_length_c 9.88852500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
59
59
# generated using pymatgen data_CdCu2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68022200 _cell_length_b 4.00179300 _cell_length_c 9.88852500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,543
34,936
mp-763149
-3.014804
3.2957
LiMnF3
0.032569
['F', 'Li', 'Mn']
# generated using pymatgen data_LiMnF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24089000 _cell_length_b 6.24089000 _cell_length_c 6.24089000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
198
198
# generated using pymatgen data_LiMnF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24089000 _cell_length_b 6.24089000 _cell_length_c 6.24089000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,544
44,598
mp-1105068
-2.177494
0
BaYFe4O7
0.076598
['Ba', 'Fe', 'O', 'Y']
# generated using pymatgen data_BaYFe4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47491245 _cell_length_b 6.47491245 _cell_length_c 6.47491245 _cell_angle_alpha 121.45587253 _cell_angle_beta 121.45587253 _cell_angle_gamma 87.49632515 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
82
82
# generated using pymatgen data_BaYFe4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33191000 _cell_length_b 6.33191000 _cell_length_c 9.35477400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,545
25,847
mp-22279
-3.209691
0
Ba2EuNbO6
0.009047
['Ba', 'Eu', 'Nb', 'O']
# generated using pymatgen data_Ba2EuNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10755987 _cell_length_b 6.10755987 _cell_length_c 6.10755987 _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_Ba2EuNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63739400 _cell_length_b 8.63739400 _cell_length_c 8.63739400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,546
43,612
mp-1179886
-2.403161
6.4931
NaHF2
0.071424
['F', 'H', 'Na']
# generated using pymatgen data_NaHF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82240634 _cell_length_b 3.82240634 _cell_length_c 3.24421977 _cell_angle_alpha 83.94140906 _cell_angle_beta 83.94140906 _cell_angle_gamma 96.94847709 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
5
5
# generated using pymatgen data_NaHF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06818000 _cell_length_b 5.72334800 _cell_length_c 3.24421977 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.16070080 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,547
16,849
mp-31301
-0.282339
0
LiSn4Au3
0
['Li', 'Sn', 'Au']
# generated using pymatgen data_LiSn4Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59197475 _cell_length_b 4.59197475 _cell_length_c 20.94852600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001076 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
186
186
# generated using pymatgen data_LiSn4Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59197475 _cell_length_b 4.59197475 _cell_length_c 20.94852600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,548
26,996
mp-998615
-3.310011
4.6512
CaTlF3
0.011281
['Ca', 'F', 'Tl']
# generated using pymatgen data_CaTlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38215932 _cell_length_b 6.38215932 _cell_length_c 6.38215988 _cell_angle_alpha 60.09700276 _cell_angle_beta 60.09700276 _cell_angle_gamma 60.09699725 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
161
161
# generated using pymatgen data_CaTlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39151440 _cell_length_b 6.39151440 _cell_length_c 15.62156411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,549
6,924
mp-7707
-0.793786
0
Zr(SiNi)2
0
['Zr', 'Si', 'Ni']
# generated using pymatgen data_Zr(SiNi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56092596 _cell_length_b 5.56092596 _cell_length_c 5.56092596 _cell_angle_alpha 140.49369101 _cell_angle_beta 140.49369101 _cell_angle_gamma 57.10446095 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Zr(SiNi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75883600 _cell_length_b 3.75883600 _cell_length_c 9.76923200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,550
39,292
mp-1308658
-2.538631
0
BaYMnCuO5
0.050884
['Ba', 'Cu', 'Mn', 'O', 'Y']
# generated using pymatgen data_BaYMnCuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83927901 _cell_length_b 8.89314567 _cell_length_c 7.86964103 _cell_angle_alpha 63.73676273 _cell_angle_beta 89.99014986 _cell_angle_gamma 89.99510018 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25
25
# generated using pymatgen data_BaYMnCuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83927901 _cell_length_b 3.93482052 _cell_length_c 7.97511100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,551
12,690
mp-1225573
-1.22761
0
DyUTe4
0
['Dy', 'Te', 'U']
# generated using pymatgen data_DyUTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97758785 _cell_length_b 7.97758785 _cell_length_c 7.97758785 _cell_angle_alpha 149.47630617 _cell_angle_beta 134.83736538 _cell_angle_gamma 55.49236806 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_DyUTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19989200 _cell_length_b 6.12669600 _cell_length_c 14.12062799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,552
9,514
mp-10481
-0.527783
0.2597
RbAg3Te2
0
['Ag', 'Rb', 'Te']
# generated using pymatgen data_RbAg3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19404250 _cell_length_b 9.19404250 _cell_length_c 9.37912908 _cell_angle_alpha 67.93321888 _cell_angle_beta 67.93321888 _cell_angle_gamma 29.33818868 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_RbAg3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.78871600 _cell_length_b 4.65652800 _cell_length_c 9.37912908 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.85158025 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,553
6,424
mp-863715
-0.713623
0
Pm2IrAu
0
['Pm', 'Ir', 'Au']
# generated using pymatgen data_Pm2IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10069638 _cell_length_b 5.10069638 _cell_length_c 5.10069638 _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_Pm2IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21347400 _cell_length_b 7.21347400 _cell_length_c 7.21347400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,554
45,211
mp-775020
-2.598301
0.9167
Mn2OF3
0.0794
['F', 'Mn', 'O']
# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81309784 _cell_length_b 5.81309784 _cell_length_c 4.85173525 _cell_angle_alpha 86.97630579 _cell_angle_beta 86.97630579 _cell_angle_gamma 66.64752210 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.71461199 _cell_length_b 6.38707600 _cell_length_c 4.85173525 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.61940609 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,555
5,438
mp-770957
-1.797189
2.2683
Be(CoO2)2
0
['Be', 'Co', 'O']
# generated using pymatgen data_Be(CoO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46979764 _cell_length_b 5.46979764 _cell_length_c 5.46979764 _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_Be(CoO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73546201 _cell_length_b 7.73546201 _cell_length_c 7.73546201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,556
6,577
mp-1105097
-1.52178
0
Ti4CoS8
0
['Co', 'S', 'Ti']
# generated using pymatgen data_Ti4CoS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58370593 _cell_length_b 6.58370593 _cell_length_c 8.12348237 _cell_angle_alpha 53.67908925 _cell_angle_beta 53.67908925 _cell_angle_gamma 62.36951045 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ti4CoS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26474800 _cell_length_b 6.81807800 _cell_length_c 8.12348237 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.81645975 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,557
14,583
mp-11719
-0.396386
1.0625
K4ZnP2
0
['K', 'Zn', 'P']
# generated using pymatgen data_K4ZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37446656 _cell_length_b 9.37446656 _cell_length_c 9.37446650 _cell_angle_alpha 35.23821804 _cell_angle_beta 35.23821804 _cell_angle_gamma 35.23822510 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_K4ZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67507344 _cell_length_b 5.67507344 _cell_length_c 26.34969140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,558
16,525
mp-10744
-0.517508
0
Si3Pt2
0
['Si', 'Pt']
# generated using pymatgen data_Si3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94157022 _cell_length_b 3.94157022 _cell_length_c 12.11473600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000362 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Si3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94157022 _cell_length_b 3.94157022 _cell_length_c 12.11473600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,559
37,966
mp-972941
-0.101951
0
NaBi3
0.04417
['Na', 'Bi']
# generated using pymatgen data_NaBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01386365 _cell_length_b 7.01386365 _cell_length_c 5.76035000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999671 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_NaBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01386365 _cell_length_b 7.01386365 _cell_length_c 5.76035000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,560
41,532
mp-1094338
-0.015696
0
SrMg3
0.062165
['Mg', 'Sr']
# generated using pymatgen data_SrMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19482592 _cell_length_b 7.19482592 _cell_length_c 5.32790700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999927 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_SrMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19482592 _cell_length_b 7.19482592 _cell_length_c 5.32790700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,561
35,385
mp-583266
-0.072417
0
MgZn
0.035628
['Mg', 'Zn']
# generated using pymatgen data_MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36708529 _cell_length_b 5.36708529 _cell_length_c 8.79399500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999124 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
194
194
# generated using pymatgen data_MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36708529 _cell_length_b 5.36708529 _cell_length_c 8.79399500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
25,562
30,962
mp-973771
-0.238498
0
Lu2MgHg
0.020434
['Lu', 'Mg', 'Hg']
# generated using pymatgen data_Lu2MgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19710756 _cell_length_b 5.19710756 _cell_length_c 5.19710756 _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_Lu2MgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34982000 _cell_length_b 7.34982000 _cell_length_c 7.34982000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,563
29,011
mp-1024984
-0.799121
0
TbInPt4
0.016619
['Tb', 'In', 'Pt']
# generated using pymatgen data_TbInPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41567144 _cell_length_b 5.41567144 _cell_length_c 5.41567144 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
216
216
# generated using pymatgen data_TbInPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65891600 _cell_length_b 7.65891600 _cell_length_c 7.65891600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,564
10,515
mp-1025373
-2.301724
0
TcF6
0
['Tc', 'F']
# generated using pymatgen data_TcF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50846716 _cell_length_b 5.50846716 _cell_length_c 5.50846716 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
229
229
# generated using pymatgen data_TcF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36063000 _cell_length_b 6.36063000 _cell_length_c 6.36063000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc...
25,565
7,604
mp-1184790
-0.319893
0
GdErRu2
0
['Er', 'Gd', 'Ru']
# generated using pymatgen data_GdErRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81581862 _cell_length_b 4.81581862 _cell_length_c 4.81581862 _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_GdErRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81059601 _cell_length_b 6.81059601 _cell_length_c 6.81059601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,566
30,376
mp-580
-0.401333
0
PuB2
0.019726
['Pu', 'B']
# generated using pymatgen data_PuB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15737032 _cell_length_b 3.15737032 _cell_length_c 3.99102900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000673 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
191
191
# generated using pymatgen data_PuB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15737032 _cell_length_b 3.15737032 _cell_length_c 3.99102900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
25,567
27,221
mp-1223305
-1.767493
4.7696
KZnH5(SO5)2
0.011877
['H', 'K', 'O', 'S', 'Zn']
# generated using pymatgen data_KZnH5(SO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64112800 _cell_length_b 5.86723099 _cell_length_c 8.30451215 _cell_angle_alpha 103.34450743 _cell_angle_beta 99.53565792 _cell_angle_gamma 95.48657765 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
1
1
# generated using pymatgen data_KZnH5(SO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64112800 _cell_length_b 5.86723099 _cell_length_c 8.30451215 _cell_angle_alpha 103.34450743 _cell_angle_beta 99.53565792 _cell_angle_gamma 95.48657765 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,568
36,427
mp-760311
-1.724386
1.7628
Na7SbO6
0.038238
['Na', 'O', 'Sb']
# generated using pymatgen data_Na7SbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39299520 _cell_length_b 6.39299520 _cell_length_c 6.39299557 _cell_angle_alpha 61.16445274 _cell_angle_beta 61.16445274 _cell_angle_gamma 61.16444897 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
146
146
# generated using pymatgen data_Na7SbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50518428 _cell_length_b 6.50518428 _cell_length_c 15.52034896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,569
18,010
mp-10443
-0.749632
0
YbSiAu
0
['Yb', 'Si', 'Au']
# generated using pymatgen data_YbSiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65179027 _cell_length_b 5.65179027 _cell_length_c 5.65179027 _cell_angle_alpha 133.48652729 _cell_angle_beta 103.20031002 _cell_angle_gamma 94.78746733 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_YbSiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46324000 _cell_length_b 7.02117000 _cell_length_c 7.65203199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,570
18,581
mp-1105966
-1.691717
0.0992
Gd2Te3
0
['Gd', 'Te']
# generated using pymatgen data_Gd2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34558100 _cell_length_b 11.87601500 _cell_length_c 12.10825400 _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_Gd2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34558100 _cell_length_b 11.87601500 _cell_length_c 12.10825400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,571
4,458
mp-867321
-0.436343
0
AcInHg2
0
['Ac', 'Hg', 'In']
# generated using pymatgen data_AcInHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44513092 _cell_length_b 5.44513092 _cell_length_c 5.44513092 _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_AcInHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70057800 _cell_length_b 7.70057800 _cell_length_c 7.70057800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,572
26,956
mp-867640
-1.559291
0.0654
Li4CoNi3O8
0.010849
['Co', 'Li', 'Ni', 'O']
# generated using pymatgen data_Li4CoNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79486038 _cell_length_b 5.82533180 _cell_length_c 5.78361683 _cell_angle_alpha 59.78889904 _cell_angle_beta 60.45124960 _cell_angle_gamma 59.83457854 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Li4CoNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99614223 _cell_length_b 5.82533180 _cell_length_c 5.82868800 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.52272283 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,573
2,343
mp-37216
-2.362127
2.34
CdPbF6
0
['Cd', 'F', 'Pb']
# generated using pymatgen data_CdPbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04250785 _cell_length_b 6.04250785 _cell_length_c 6.04250772 _cell_angle_alpha 55.96664408 _cell_angle_beta 55.96664408 _cell_angle_gamma 55.96665530 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_CdPbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67046545 _cell_length_b 5.67046545 _cell_length_c 15.23629142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,574
35,894
mp-753285
-2.806041
0
Mg9CuO10
0.036269
['Cu', 'Mg', 'O']
# generated using pymatgen data_Mg9CuO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68333153 _cell_length_b 6.68333153 _cell_length_c 10.01424523 _cell_angle_alpha 78.81392654 _cell_angle_beta 78.81392654 _cell_angle_gamma 26.16270152 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Mg9CuO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.01979399 _cell_length_b 3.02533400 _cell_length_c 10.01424523 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.48809301 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,575
8,354
mp-548615
-2.65463
3.3865
Ba2ZnWO6
0
['Ba', 'O', 'W', 'Zn']
# generated using pymatgen data_Ba2ZnWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84105839 _cell_length_b 5.84105839 _cell_length_c 5.84105839 _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_Ba2ZnWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26050399 _cell_length_b 8.26050399 _cell_length_c 8.26050399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,576
11,948
mp-864896
-0.364846
0
Zr2CoTc
0
['Zr', 'Co', 'Tc']
# generated using pymatgen data_Zr2CoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60511918 _cell_length_b 4.60511918 _cell_length_c 4.60511918 _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_Zr2CoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51262200 _cell_length_b 6.51262200 _cell_length_c 6.51262200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,577
439
mp-20570
-2.639271
1.159
HoCoO3
0
['Co', 'Ho', 'O']
# generated using pymatgen data_HoCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21474900 _cell_length_b 5.73538000 _cell_length_c 7.32890400 _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_HoCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21474900 _cell_length_b 5.73538000 _cell_length_c 7.32890400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,578
37,006
mp-1022923
-0.01185
0
YMg6Zr
0.042672
['Mg', 'Y', 'Zr']
# generated using pymatgen data_YMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37211283 _cell_length_b 6.37211283 _cell_length_c 4.70732700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.63802273 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_YMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47468800 _cell_length_b 9.51813800 _cell_length_c 4.70732700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,579
41,629
mp-1185903
-0.001691
0
MgIn2
0.061516
['In', 'Mg']
# generated using pymatgen data_MgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02453470 _cell_length_b 6.02453470 _cell_length_c 7.93524964 _cell_angle_alpha 74.09969109 _cell_angle_beta 74.09969109 _cell_angle_gamma 33.57758685 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
8
8
# generated using pymatgen data_MgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.53549000 _cell_length_b 3.48030800 _cell_length_c 7.93524964 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.62830505 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,580
41,842
mp-570615
-2.263334
2.1838
BaThBr6
0.061449
['Ba', 'Br', 'Th']
# generated using pymatgen data_BaThBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38756400 _cell_length_b 9.66950400 _cell_length_c 13.42086000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
51
51
# generated using pymatgen data_BaThBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38756400 _cell_length_b 9.66950400 _cell_length_c 13.42086000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,581
19,265
mp-21387
-0.721095
0
CeInPd
0
['Ce', 'In', 'Pd']
# generated using pymatgen data_CeInPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67672760 _cell_length_b 7.67672760 _cell_length_c 4.06430600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999652 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_CeInPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67672760 _cell_length_b 7.67672760 _cell_length_c 4.06430600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,582
24,486
mp-978517
-0.677092
0
SmCdPd2
0.00642
['Cd', 'Pd', 'Sm']
# generated using pymatgen data_SmCdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86844716 _cell_length_b 4.86844716 _cell_length_c 4.86844716 _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_SmCdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88502400 _cell_length_b 6.88502400 _cell_length_c 6.88502400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,583
13,840
mp-556438
-3.016182
3.5441
KNaSmNbO5
0
['K', 'Na', 'Nb', 'O', 'Sm']
# generated using pymatgen data_KNaSmNbO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74662600 _cell_length_b 5.74662600 _cell_length_c 8.36281600 _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_KNaSmNbO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74662600 _cell_length_b 5.74662600 _cell_length_c 8.36281600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,584
8,813
mp-2627
-1.526118
0
DyAs
0
['Dy', 'As']
# generated using pymatgen data_DyAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11974129 _cell_length_b 4.11974129 _cell_length_c 4.11974129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy...
225
225
# generated using pymatgen data_DyAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82619401 _cell_length_b 5.82619401 _cell_length_c 5.82619401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy...
25,585
44,355
mp-675324
-2.607797
4.0966
BaCO3
0.075824
['Ba', 'C', 'O']
# generated using pymatgen data_BaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48615500 _cell_length_b 5.46667700 _cell_length_c 7.06090800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
34
34
# generated using pymatgen data_BaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48615500 _cell_length_b 5.46667700 _cell_length_c 7.06090800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,586
16,090
mp-1114180
-2.981037
3.9473
K2LiFeF6
0
['F', 'Fe', 'K', 'Li']
# generated using pymatgen data_K2LiFeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77037900 _cell_length_b 5.77037942 _cell_length_c 5.77037949 _cell_angle_alpha 59.99999821 _cell_angle_beta 59.99999710 _cell_angle_gamma 59.99999668 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
225
225
# generated using pymatgen data_K2LiFeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16054851 _cell_length_b 8.16054851 _cell_length_c 8.16054851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,587
30,915
mp-756225
-1.728538
1.2593
Li3Co4SbO8
0.020511
['Co', 'Li', 'O', 'Sb']
# generated using pymatgen data_Li3Co4SbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00492988 _cell_length_b 6.00492988 _cell_length_c 6.17841881 _cell_angle_alpha 59.90966573 _cell_angle_beta 59.90966573 _cell_angle_gamma 61.72212858 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Li3Co4SbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30942801 _cell_length_b 6.16055400 _cell_length_c 6.17841881 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.73658486 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,588
3,608
mp-1184197
-0.387322
0
CeTmIn2
0
['Ce', 'In', 'Tm']
# generated using pymatgen data_CeTmIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42625259 _cell_length_b 5.42625259 _cell_length_c 5.42625259 _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_CeTmIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67388001 _cell_length_b 7.67388001 _cell_length_c 7.67388001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,589
12,930
mp-862924
-0.748716
0
PmInPd2
0
['In', 'Pd', 'Pm']
# generated using pymatgen data_PmInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89148046 _cell_length_b 4.89148046 _cell_length_c 4.89148046 _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_PmInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91759801 _cell_length_b 6.91759801 _cell_length_c 6.91759801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,590
43,073
mp-1111374
-1.840583
3.411
K3SbCl6
0.07029
['Cl', 'K', 'Sb']
# generated using pymatgen data_K3SbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96382406 _cell_length_b 7.96382406 _cell_length_c 7.96382406 _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_K3SbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26254799 _cell_length_b 11.26254799 _cell_length_c 11.26254799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,591
38,783
mp-1314667
-2.272829
1.0946
V4ZnO10
0.04924
['O', 'V', 'Zn']
# generated using pymatgen data_V4ZnO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64465200 _cell_length_b 5.45937700 _cell_length_c 11.47766522 _cell_angle_alpha 89.97886154 _cell_angle_beta 90.00000499 _cell_angle_gamma 70.50049730 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_V4ZnO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64465200 _cell_length_b 10.29250219 _cell_length_c 11.47766522 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,592
15,966
mp-866072
-0.565626
0
MgTaRh2
0
['Mg', 'Ta', 'Rh']
# generated using pymatgen data_MgTaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45822340 _cell_length_b 4.45822340 _cell_length_c 4.45822340 _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_MgTaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30488000 _cell_length_b 6.30488000 _cell_length_c 6.30488000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,593
37,733
mp-1222699
-0.450912
0
LaTmB12
0.043424
['B', 'La', 'Tm']
# generated using pymatgen data_LaTmB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82605925 _cell_length_b 5.82605925 _cell_length_c 5.82605925 _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_LaTmB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23929201 _cell_length_b 8.23929201 _cell_length_c 8.23929201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,594
41,436
mp-763303
-1.940552
0
Mn3O5F
0.059027
['F', 'Mn', 'O']
# generated using pymatgen data_Mn3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55515600 _cell_length_b 4.55673000 _cell_length_c 9.02897300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
31
31
# generated using pymatgen data_Mn3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55515600 _cell_length_b 4.55673000 _cell_length_c 9.02897300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,595
23,076
mp-1183421
-0.354153
0
Be2NiRu
0.004522
['Be', 'Ni', 'Ru']
# generated using pymatgen data_Be2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82988407 _cell_length_b 3.82988407 _cell_length_c 3.82988407 _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_Be2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41627399 _cell_length_b 5.41627399 _cell_length_c 5.41627399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,596
16,199
mp-14448
-1.302889
1.1372
Ba2SiTe4
0
['Ba', 'Si', 'Te']
# generated using pymatgen data_Ba2SiTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68621000 _cell_length_b 7.65290600 _cell_length_c 9.73722568 _cell_angle_alpha 71.46258721 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_Ba2SiTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65290600 _cell_length_b 7.68621000 _cell_length_c 9.73722568 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.53741279 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,597
23,906
mp-752798
-4.215803
2.042
CeTh2O6
0.005545
['Ce', 'O', 'Th']
# generated using pymatgen data_CeTh2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81683343 _cell_length_b 6.81683343 _cell_length_c 6.81683343 _cell_angle_alpha 146.40152094 _cell_angle_beta 131.80200235 _cell_angle_gamma 60.03344110 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_CeTh2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94039000 _cell_length_b 5.56682400 _cell_length_c 11.80511200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,598
42,641
mp-1187645
-0.152954
0
YbCeCu2
0.065956
['Ce', 'Cu', 'Yb']
# generated using pymatgen data_YbCeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90141672 _cell_length_b 4.90141672 _cell_length_c 4.90141672 _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_YbCeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93165000 _cell_length_b 6.93165000 _cell_length_c 6.93165000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,599
32,530
mp-1080231
-1.65627
0
CsTlCl3
0.026385
['Cl', 'Cs', 'Tl']
# generated using pymatgen data_CsTlCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57983001 _cell_length_b 5.57995045 _cell_length_c 5.58008013 _cell_angle_alpha 89.99304754 _cell_angle_beta 89.99737197 _cell_angle_gamma 89.98461833 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_CsTlCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89142911 _cell_length_b 7.89106716 _cell_length_c 5.57995045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.01579212 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...