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
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0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
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0.08
elements
stringlengths
5
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cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
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cif.conv
stringlengths
696
5.07k
22,900
25,419
mp-754162
-3.205469
3.0626
LiGdO2
0.008372
['Gd', 'Li', 'O']
# generated using pymatgen data_LiGdO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21573900 _cell_length_b 6.36666900 _cell_length_c 6.48603096 _cell_angle_alpha 59.91888955 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_LiGdO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36666900 _cell_length_b 6.21573900 _cell_length_c 6.48603096 _cell_angle_alpha 90.00000000 _cell_angle_beta 120.08111045 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,901
16,165
mp-1219887
-0.334476
0
Pr(AlFe)6
0
['Al', 'Fe', 'Pr']
# generated using pymatgen data_Pr(AlFe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63701225 _cell_length_b 6.63701225 _cell_length_c 6.63701225 _cell_angle_alpha 135.55124889 _cell_angle_beta 98.78493307 _cell_angle_gamma 97.66593294 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
71
71
# generated using pymatgen data_Pr(AlFe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02069600 _cell_length_b 8.63971800 _cell_length_c 8.73771200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,902
6,142
mp-1195050
-0.681894
0.5999
SnIr2Se5
0
['Ir', 'Se', 'Sn']
# generated using pymatgen data_SnIr2Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81916200 _cell_length_b 7.77366200 _cell_length_c 12.76520361 _cell_angle_alpha 78.04632393 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
10
10
# generated using pymatgen data_SnIr2Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77366200 _cell_length_b 3.81916200 _cell_length_c 12.76520361 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.95367607 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,903
34,665
mp-1206734
-0.510701
0
LiInPt
0.032497
['In', 'Li', 'Pt']
# generated using pymatgen data_LiInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43983484 _cell_length_b 4.43983484 _cell_length_c 2.92060200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001248 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_LiInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43983484 _cell_length_b 4.43983484 _cell_length_c 2.92060200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,904
27,157
mp-1215775
-0.917764
1.609
Zn3InCuS5
0.012155
['Cu', 'In', 'S', 'Zn']
# generated using pymatgen data_Zn3InCuS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36507502 _cell_length_b 6.71898455 _cell_length_c 10.26313057 _cell_angle_alpha 70.91654512 _cell_angle_beta 89.99477802 _cell_angle_gamma 90.00623433 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
1
1
# generated using pymatgen data_Zn3InCuS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36507502 _cell_length_b 6.71898455 _cell_length_c 10.26313057 _cell_angle_alpha 109.08345488 _cell_angle_beta 90.00522198 _cell_angle_gamma 90.00623433 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,905
8,627
mp-1184508
-0.840144
0
GdSnPd2
0
['Gd', 'Pd', 'Sn']
# generated using pymatgen data_GdSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83881514 _cell_length_b 4.83881514 _cell_length_c 4.83881514 _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_GdSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84311800 _cell_length_b 6.84311800 _cell_length_c 6.84311800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,906
37,557
mp-1102937
-0.299685
1.3158
BrNO
0.043455
['Br', 'N', 'O']
# generated using pymatgen data_BrNO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26161900 _cell_length_b 6.49286800 _cell_length_c 7.95445650 _cell_angle_alpha 55.46090296 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Br...
14
14
# generated using pymatgen data_BrNO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49286800 _cell_length_b 6.26161900 _cell_length_c 7.95445650 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.53909704 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
22,907
38,589
mp-1176459
-2.72566
0
Mn3OF5
0.048915
['F', 'Mn', 'O']
# generated using pymatgen data_Mn3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88107400 _cell_length_b 5.88577448 _cell_length_c 7.59184303 _cell_angle_alpha 73.48838487 _cell_angle_beta 72.89562546 _cell_angle_gamma 71.03543075 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Mn3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88107400 _cell_length_b 5.88577448 _cell_length_c 7.59184303 _cell_angle_alpha 73.48838487 _cell_angle_beta 72.89562546 _cell_angle_gamma 71.03543075 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,908
44,153
mp-1185694
-0.088852
0
MgBi
0.075115
['Bi', 'Mg']
# generated using pymatgen data_MgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69499500 _cell_length_b 5.02131600 _cell_length_c 5.96778000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
59
59
# generated using pymatgen data_MgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69499500 _cell_length_b 5.02131600 _cell_length_c 5.96778000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
22,909
10,027
mp-1078825
-0.488721
0
SrCd2Pd
0
['Cd', 'Pd', 'Sr']
# generated using pymatgen data_SrCd2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81639313 _cell_length_b 5.81639313 _cell_length_c 8.23798300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.06376996 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_SrCd2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53933200 _cell_length_b 10.71056400 _cell_length_c 8.23798300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,910
25,410
mp-696649
-1.021543
1.9125
KH2I3O
0.007859
['H', 'I', 'K', 'O']
# generated using pymatgen data_KH2I3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17997700 _cell_length_b 4.69073900 _cell_length_c 9.77311943 _cell_angle_alpha 63.68517177 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
7
7
# generated using pymatgen data_KH2I3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69073900 _cell_length_b 10.17997700 _cell_length_c 9.77311943 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.31482823 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,911
34,029
mp-10912
-1.964228
0
BaPr2FeS5
0.030719
['Ba', 'Fe', 'Pr', 'S']
# generated using pymatgen data_BaPr2FeS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79457240 _cell_length_b 8.79457240 _cell_length_c 8.79457240 _cell_angle_alpha 126.28914881 _cell_angle_beta 126.28914881 _cell_angle_gamma 79.41342297 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
140
140
# generated using pymatgen data_BaPr2FeS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94573400 _cell_length_b 7.94573400 _cell_length_c 13.53176401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,912
35,311
mp-1646508
-2.788166
2.471
CaLaFeWO6
0.034483
['Ca', 'Fe', 'La', 'O', 'W']
# generated using pymatgen data_CaLaFeWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61682870 _cell_length_b 8.00098889 _cell_length_c 5.80025014 _cell_angle_alpha 89.80916813 _cell_angle_beta 91.52265997 _cell_angle_gamma 89.27214746 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
1
1
# generated using pymatgen data_CaLaFeWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61682870 _cell_length_b 5.80025014 _cell_length_c 8.00098889 _cell_angle_alpha 90.19083187 _cell_angle_beta 90.72785254 _cell_angle_gamma 91.52265997 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,913
13,672
mp-1217572
-0.528777
0
TbDy3Al8
0
['Al', 'Dy', 'Tb']
# generated using pymatgen data_TbDy3Al8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64105006 _cell_length_b 9.64105006 _cell_length_c 9.64105046 _cell_angle_alpha 33.55568928 _cell_angle_beta 33.55568928 _cell_angle_gamma 33.55569064 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
160
160
# generated using pymatgen data_TbDy3Al8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56600195 _cell_length_b 5.56600195 _cell_length_c 27.26916770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,914
16,190
mp-13094
-0.646908
0
YAl2Ni
0
['Y', 'Al', 'Ni']
# generated using pymatgen data_YAl2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52979943 _cell_length_b 5.52979943 _cell_length_c 6.87132700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 137.01817975 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_YAl2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05172400 _cell_length_b 10.29068800 _cell_length_c 6.87132700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,915
22,522
mp-1079048
-1.020029
0
V3PN
0.00376
['N', 'P', 'V']
# generated using pymatgen data_V3PN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08242216 _cell_length_b 5.08242216 _cell_length_c 7.38982000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 144.27920072 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
63
63
# generated using pymatgen data_V3PN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11754600 _cell_length_b 9.67496599 _cell_length_c 7.38982000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3...
22,916
41,534
mp-1094617
-0.086493
0
MgGa
0.061826
['Ga', 'Mg']
# generated using pymatgen data_MgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05794865 _cell_length_b 5.05794865 _cell_length_c 5.05794844 _cell_angle_alpha 35.80240469 _cell_angle_beta 35.80240469 _cell_angle_gamma 35.80240490 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
166
166
# generated using pymatgen data_MgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10938996 _cell_length_b 3.10938996 _cell_length_c 14.18593236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,917
25,370
mp-560569
-2.264415
0.6648
KPrPdO3
0.007944
['K', 'O', 'Pd', 'Pr']
# generated using pymatgen data_KPrPdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01153948 _cell_length_b 7.01153948 _cell_length_c 7.59068081 _cell_angle_alpha 75.52654551 _cell_angle_beta 75.52654551 _cell_angle_gamma 33.05952983 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_KPrPdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.44353400 _cell_length_b 3.98975400 _cell_length_c 7.59068081 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.11194974 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,918
889
mp-639876
-0.466352
0
U2SnRh2
0
['Rh', 'Sn', 'U']
# generated using pymatgen data_U2SnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64585400 _cell_length_b 7.64585400 _cell_length_c 3.58849100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
127
127
# generated using pymatgen data_U2SnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64585400 _cell_length_b 7.64585400 _cell_length_c 3.58849100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,919
16,388
mp-608
-0.261703
0
TiCo3
0
['Ti', 'Co']
# generated using pymatgen data_TiCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60717100 _cell_length_b 3.60717100 _cell_length_c 3.60717100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
221
221
# generated using pymatgen data_TiCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60717100 _cell_length_b 3.60717100 _cell_length_c 3.60717100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
22,920
45,091
mp-1224185
0.066108
0
In3Co
0.079297
['Co', 'In']
# generated using pymatgen data_In3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56709851 _cell_length_b 6.56709851 _cell_length_c 3.97731100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.45365263 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...
65
65
# generated using pymatgen data_In3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.25044000 _cell_length_b 9.32397400 _cell_length_c 3.97731100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...
22,921
32,819
mp-19003
-2.638291
2.3654
MgV2O5
0.026165
['Mg', 'O', 'V']
# generated using pymatgen data_MgV2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42720392 _cell_length_b 5.42720392 _cell_length_c 11.21048800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.86093029 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_MgV2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72480200 _cell_length_b 10.19529399 _cell_length_c 11.21048800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,922
39,905
mp-754811
-2.0621
0
Li3Mn5O8
0.052602
['Li', 'Mn', 'O']
# generated using pymatgen data_Li3Mn5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09519958 _cell_length_b 6.09519958 _cell_length_c 6.09519965 _cell_angle_alpha 59.94281322 _cell_angle_beta 59.94281322 _cell_angle_gamma 59.94281032 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Li3Mn5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08993015 _cell_length_b 6.08993015 _cell_length_c 14.93657840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,923
30,479
mp-9945
-0.468112
0
CoTe2
0.019883
['Co', 'Te']
# generated using pymatgen data_CoTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91818300 _cell_length_b 5.34242300 _cell_length_c 6.28602300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
58
58
# generated using pymatgen data_CoTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91818300 _cell_length_b 5.34242300 _cell_length_c 6.28602300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
22,924
18,269
mp-21075
-0.939818
0
HfC
0
['Hf', 'C']
# generated using pymatgen data_HfC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28897426 _cell_length_b 3.28897426 _cell_length_c 3.28897426 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfC...
225
225
# generated using pymatgen data_HfC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65131200 _cell_length_b 4.65131200 _cell_length_c 4.65131200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfC...
22,925
17,790
mp-22490
-0.739067
0
Sc3(NiGe)4
0
['Sc', 'Ni', 'Ge']
# generated using pymatgen data_Sc3(NiGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53759054 _cell_length_b 7.53759054 _cell_length_c 7.53759054 _cell_angle_alpha 149.86643375 _cell_angle_beta 127.76905734 _cell_angle_gamma 61.48833270 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
71
71
# generated using pymatgen data_Sc3(NiGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91871400 _cell_length_b 6.63581800 _cell_length_c 12.95649199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,926
34,560
mp-1103776
-0.062789
0
Yb2FeC4
0.033423
['C', 'Fe', 'Yb']
# generated using pymatgen data_Yb2FeC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76942090 _cell_length_b 6.76942090 _cell_length_c 6.76942090 _cell_angle_alpha 136.67309293 _cell_angle_beta 112.92460513 _cell_angle_gamma 83.28272871 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
72
72
# generated using pymatgen data_Yb2FeC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99791800 _cell_length_b 7.48001400 _cell_length_c 10.11782800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,927
17,509
mp-10209
-0.748757
0
Y3Al3NiGe2
0
['Al', 'Ge', 'Ni', 'Y']
# generated using pymatgen data_Y3Al3NiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96118161 _cell_length_b 6.96118161 _cell_length_c 4.18467600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999628 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
189
189
# generated using pymatgen data_Y3Al3NiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96118161 _cell_length_b 6.96118161 _cell_length_c 4.18467600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,928
12,045
mp-1079779
-0.385453
0
Tb2InCu2
0
['Cu', 'In', 'Tb']
# generated using pymatgen data_Tb2InCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63944700 _cell_length_b 7.63944700 _cell_length_c 3.64553600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
127
127
# generated using pymatgen data_Tb2InCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63944700 _cell_length_b 7.63944700 _cell_length_c 3.64553600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,929
14,766
mp-21044
-0.890645
0
NdGeRh
0
['Ge', 'Nd', 'Rh']
# generated using pymatgen data_NdGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46447100 _cell_length_b 7.24780400 _cell_length_c 7.54126600 _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_NdGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46447100 _cell_length_b 7.24780400 _cell_length_c 7.54126600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,930
4,997
mp-9971
-0.894524
0
YGe
0
['Y', 'Ge']
# generated using pymatgen data_YGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79784986 _cell_length_b 5.79784986 _cell_length_c 3.96893000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 136.39625247 _symmetry_Int_Tables_number 1 _chemical_formula_structural YG...
63
63
# generated using pymatgen data_YGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30662200 _cell_length_b 10.76630201 _cell_length_c 3.96893000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YG...
22,931
14,237
mp-13679
-1.577214
0
PdF3
0
['Pd', 'F']
# generated using pymatgen data_PdF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61752331 _cell_length_b 5.61752331 _cell_length_c 5.61752222 _cell_angle_alpha 54.95624866 _cell_angle_beta 54.95624866 _cell_angle_gamma 54.95624953 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd...
167
167
# generated using pymatgen data_PdF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18396171 _cell_length_b 5.18396171 _cell_length_c 14.26144111 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,932
24,469
mp-972180
-0.345314
0
YbMgIn2
0.006034
['Yb', 'Mg', 'In']
# generated using pymatgen data_YbMgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22379660 _cell_length_b 5.22379660 _cell_length_c 5.22379660 _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_YbMgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38756400 _cell_length_b 7.38756400 _cell_length_c 7.38756400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,933
30,121
mp-1188000
-0.15341
0
Zn3Au
0.019799
['Au', 'Zn']
# generated using pymatgen data_Zn3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81585150 _cell_length_b 5.81585150 _cell_length_c 4.28324400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999432 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Zn3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81585150 _cell_length_b 5.81585150 _cell_length_c 4.28324400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,934
15,022
mp-1069270
-0.220902
0
ZnNi3N
0
['N', 'Ni', 'Zn']
# generated using pymatgen data_ZnNi3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76051900 _cell_length_b 3.76051900 _cell_length_c 3.76051900 _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_ZnNi3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76051900 _cell_length_b 3.76051900 _cell_length_c 3.76051900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,935
28,285
mp-13162
-0.461227
0
TbZnSn2
0.013881
['Sn', 'Tb', 'Zn']
# generated using pymatgen data_TbZnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38660900 _cell_length_b 4.38660900 _cell_length_c 9.84207300 _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_TbZnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38660900 _cell_length_b 4.38660900 _cell_length_c 9.84207300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,936
16,204
mp-1539330
-2.739794
1.355
CaCoF6
0
['Ca', 'Co', 'F']
# generated using pymatgen data_CaCoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74950962 _cell_length_b 5.74950962 _cell_length_c 5.74950967 _cell_angle_alpha 58.00700590 _cell_angle_beta 58.00700590 _cell_angle_gamma 58.00700565 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_CaCoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57545002 _cell_length_b 5.57545002 _cell_length_c 14.29177457 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,937
4,401
mp-6583
-2.063685
0
Ba2Er(CuO2)4
0
['Ba', 'Cu', 'Er', 'O']
# generated using pymatgen data_Ba2Er(CuO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.86912846 _cell_length_b 13.86912846 _cell_length_c 3.87346400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 163.87156278 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
65
65
# generated using pymatgen data_Ba2Er(CuO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89120400 _cell_length_b 27.46396600 _cell_length_c 3.87346400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,938
6,586
mp-11073
-0.459381
0
Ti3In3Rh2
0
['Ti', 'In', 'Rh']
# generated using pymatgen data_Ti3In3Rh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34845277 _cell_length_b 7.34845277 _cell_length_c 3.08256600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000694 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
189
189
# generated using pymatgen data_Ti3In3Rh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34845277 _cell_length_b 7.34845277 _cell_length_c 3.08256600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,939
44,269
mp-1247346
0.075182
1.5658
Bi2(CN2)3
0.075182
['Bi', 'C', 'N']
# generated using pymatgen data_Bi2(CN2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42028264 _cell_length_b 6.76849357 _cell_length_c 15.28210509 _cell_angle_alpha 90.00000043 _cell_angle_beta 142.50707404 _cell_angle_gamma 58.18905980 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
155
155
# generated using pymatgen data_Bi2(CN2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76849320 _cell_length_b 6.76849320 _cell_length_c 15.28210509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,940
17,763
mp-19728
-1.028567
0
YSiRh
0
['Y', 'Si', 'Rh']
# generated using pymatgen data_YSiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24875500 _cell_length_b 6.91684500 _cell_length_c 7.45889800 _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_YSiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24875500 _cell_length_b 6.91684500 _cell_length_c 7.45889800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
22,941
33,568
mp-1113333
-2.160728
2.6108
Cs2TbCuCl6
0.02986
['Cl', 'Cs', 'Cu', 'Tb']
# generated using pymatgen data_Cs2TbCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46602372 _cell_length_b 7.46602372 _cell_length_c 7.46602372 _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_Cs2TbCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.55855200 _cell_length_b 10.55855200 _cell_length_c 10.55855200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,942
35,008
mp-1038715
0.016821
0
CeMg
0.035626
['Ce', 'Mg']
# generated using pymatgen data_CeMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11493849 _cell_length_b 3.11493849 _cell_length_c 5.98392100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001032 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
187
187
# generated using pymatgen data_CeMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11493849 _cell_length_b 3.11493849 _cell_length_c 5.98392100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
22,943
28,414
mp-6948
-1.328299
2.1324
KNaO
0.014885
['K', 'Na', 'O']
# generated using pymatgen data_KNaO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05109300 _cell_length_b 4.05109300 _cell_length_c 6.29639200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KN...
129
129
# generated using pymatgen data_KNaO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05109300 _cell_length_b 4.05109300 _cell_length_c 6.29639200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KN...
22,944
42,758
mp-1227321
-0.038565
0
CaCeC4
0.068423
['C', 'Ca', 'Ce']
# generated using pymatgen data_CaCeC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14465339 _cell_length_b 4.14465339 _cell_length_c 5.40762032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 80.27556201 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_CaCeC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34351827 _cell_length_b 6.33714600 _cell_length_c 5.40762032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,945
6,426
mp-864716
-0.396749
0
PaGaAu2
0
['Au', 'Ga', 'Pa']
# generated using pymatgen data_PaGaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90193715 _cell_length_b 4.90193715 _cell_length_c 4.90193715 _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_PaGaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93238600 _cell_length_b 6.93238600 _cell_length_c 6.93238600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,946
40,292
mp-1520009
-3.040772
3.4708
SrCaLaSbO6
0.05587
['Ca', 'La', 'O', 'Sb', 'Sr']
# generated using pymatgen data_SrCaLaSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86343495 _cell_length_b 6.03415779 _cell_length_c 8.44969212 _cell_angle_alpha 90.14852144 _cell_angle_beta 90.62515770 _cell_angle_gamma 89.98835425 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2
2
# generated using pymatgen data_SrCaLaSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86343495 _cell_length_b 6.03415779 _cell_length_c 8.44969212 _cell_angle_alpha 89.85147856 _cell_angle_beta 89.37484230 _cell_angle_gamma 89.98835425 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,947
27,726
mp-1220889
-3.491112
1.8721
NaSr2LaTi4O12
0.01302
['La', 'Na', 'O', 'Sr', 'Ti']
# generated using pymatgen data_NaSr2LaTi4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54127700 _cell_length_b 5.54127700 _cell_length_c 7.88572500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
111
111
# generated using pymatgen data_NaSr2LaTi4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54127700 _cell_length_b 5.54127700 _cell_length_c 7.88572500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,948
18,593
mp-11157
-0.49614
0
SmMgGa
0
['Sm', 'Mg', 'Ga']
# generated using pymatgen data_SmMgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40954234 _cell_length_b 7.40954234 _cell_length_c 4.50154600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000307 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_SmMgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40954234 _cell_length_b 7.40954234 _cell_length_c 4.50154600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,949
2,766
mp-22203
-2.991211
1.4671
SmMnO3
0
['Mn', 'O', 'Sm']
# generated using pymatgen data_SmMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42892400 _cell_length_b 5.90686400 _cell_length_c 7.60301300 _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_SmMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42892400 _cell_length_b 5.90686400 _cell_length_c 7.60301300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,950
4,560
mp-1095522
-0.754098
0
YZnPd
0
['Pd', 'Y', 'Zn']
# generated using pymatgen data_YZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12520600 _cell_length_b 7.08432600 _cell_length_c 8.17085400 _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_YZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12520600 _cell_length_b 7.08432600 _cell_length_c 8.17085400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
22,951
30,797
mp-19193
-2.010334
1.3614
CaFe3O5
0.021184
['Ca', 'Fe', 'O']
# generated using pymatgen data_CaFe3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05341400 _cell_length_b 5.36785325 _cell_length_c 12.74636700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.52398392 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_CaFe3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05341400 _cell_length_b 10.29233001 _cell_length_c 12.74636700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,952
25,746
mp-1222760
-0.494765
0
LaSiAg
0.008916
['Ag', 'La', 'Si']
# generated using pymatgen data_LaSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22606400 _cell_length_b 4.42334820 _cell_length_c 4.42419758 _cell_angle_alpha 119.99307440 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_LaSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42377289 _cell_length_b 4.42377289 _cell_length_c 4.22606400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,953
9,231
mp-19381
-3.223058
2.5425
DyCrO3
0
['Cr', 'Dy', 'O']
# generated using pymatgen data_DyCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30493100 _cell_length_b 5.61194800 _cell_length_c 7.65528000 _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_DyCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30493100 _cell_length_b 5.61194800 _cell_length_c 7.65528000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,954
35,810
mp-1797
-0.040179
0
MnNi
0.036881
['Mn', 'Ni']
# generated using pymatgen data_MnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94865700 _cell_length_b 2.94865700 _cell_length_c 2.84469800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn...
123
123
# generated using pymatgen data_MnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94865700 _cell_length_b 2.94865700 _cell_length_c 2.84469800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn...
22,955
26,791
mp-12368
-1.930162
2.6713
SbS2NF6
0.011105
['F', 'N', 'S', 'Sb']
# generated using pymatgen data_SbS2NF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00662568 _cell_length_b 6.00662568 _cell_length_c 5.51234555 _cell_angle_alpha 88.63127762 _cell_angle_beta 88.63127762 _cell_angle_gamma 70.50109522 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_SbS2NF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81045401 _cell_length_b 6.93348400 _cell_length_c 5.51234555 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.67612910 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,956
6,120
mp-1186566
-0.34699
0
PmErTl2
0
['Er', 'Pm', 'Tl']
# generated using pymatgen data_PmErTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41894959 _cell_length_b 5.41894959 _cell_length_c 5.41894959 _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_PmErTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66355200 _cell_length_b 7.66355200 _cell_length_c 7.66355200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,957
15,047
mp-1095577
-0.510898
0
Tm4B3C4
0
['B', 'C', 'Tm']
# generated using pymatgen data_Tm4B3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45069700 _cell_length_b 3.54537231 _cell_length_c 11.77295057 _cell_angle_alpha 92.83417640 _cell_angle_beta 96.17323246 _cell_angle_gamma 90.19396137 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Tm4B3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45069700 _cell_length_b 3.54537231 _cell_length_c 11.77295057 _cell_angle_alpha 92.83417640 _cell_angle_beta 96.17323246 _cell_angle_gamma 90.19396137 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,958
20,850
mp-555173
-2.822037
2.2901
UCO5
0.000689
['C', 'O', 'U']
# generated using pymatgen data_UCO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34859000 _cell_length_b 4.89102600 _cell_length_c 9.66548300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UC...
59
59
# generated using pymatgen data_UCO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34859000 _cell_length_b 4.89102600 _cell_length_c 9.66548300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UC...
22,959
5,470
mp-8655
-0.774552
0
SmSiRu
0
['Ru', 'Si', 'Sm']
# generated using pymatgen data_SmSiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22645400 _cell_length_b 4.22645400 _cell_length_c 6.79604400 _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_SmSiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22645400 _cell_length_b 4.22645400 _cell_length_c 6.79604400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,960
14,194
mp-1218109
-2.390246
0
SrPrFeCoO6
0
['Co', 'Fe', 'O', 'Pr', 'Sr']
# generated using pymatgen data_SrPrFeCoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41785300 _cell_length_b 5.42157415 _cell_length_c 5.47974573 _cell_angle_alpha 119.63052418 _cell_angle_beta 119.45496100 _cell_angle_gamma 90.01367513 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
1
1
# generated using pymatgen data_SrPrFeCoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41785300 _cell_length_b 5.42157415 _cell_length_c 5.47974573 _cell_angle_alpha 119.63052418 _cell_angle_beta 119.45496100 _cell_angle_gamma 90.01367513 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,961
31,672
mp-1216450
-0.195643
0
V6GaSb
0.023008
['Ga', 'Sb', 'V']
# generated using pymatgen data_V6GaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86964700 _cell_length_b 4.86964700 _cell_length_c 4.86964700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
200
200
# generated using pymatgen data_V6GaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86964700 _cell_length_b 4.86964700 _cell_length_c 4.86964700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,962
3,120
mp-1189638
-0.536845
0
Sm7Rh3
0
['Rh', 'Sm']
# generated using pymatgen data_Sm7Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26236400 _cell_length_b 10.06539181 _cell_length_c 10.06539181 _cell_angle_alpha 120.04698988 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
186
186
# generated using pymatgen data_Sm7Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06181691 _cell_length_b 10.06181691 _cell_length_c 6.26236400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,963
23,634
mp-11912
-2.623218
0
NaNd2IrO6
0.005413
['Ir', 'Na', 'Nd', 'O']
# generated using pymatgen data_NaNd2IrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98615000 _cell_length_b 5.55198400 _cell_length_c 9.67885083 _cell_angle_alpha 55.99716305 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_NaNd2IrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55198400 _cell_length_b 5.98615000 _cell_length_c 9.67885083 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.00283695 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,964
43,819
mp-600428
0.072122
0
Mn3Sn2
0.072122
['Mn', 'Sn']
# generated using pymatgen data_Mn3Sn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41455200 _cell_length_b 7.47931700 _cell_length_c 8.44546200 _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_Mn3Sn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41455200 _cell_length_b 7.47931700 _cell_length_c 8.44546200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,965
10,601
mp-1187427
-0.564719
0
Ti2FeOs
0
['Fe', 'Os', 'Ti']
# generated using pymatgen data_Ti2FeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29816130 _cell_length_b 4.29816130 _cell_length_c 4.29816130 _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_Ti2FeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07851800 _cell_length_b 6.07851800 _cell_length_c 6.07851800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,966
17,685
mp-1217124
-0.405904
0
Ti2Co3Sn2
0
['Co', 'Sn', 'Ti']
# generated using pymatgen data_Ti2Co3Sn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29922985 _cell_length_b 7.29922985 _cell_length_c 7.29922979 _cell_angle_alpha 33.88857997 _cell_angle_beta 33.88857997 _cell_angle_gamma 33.88857715 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
160
160
# generated using pymatgen data_Ti2Co3Sn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25460016 _cell_length_b 4.25460016 _cell_length_c 20.62047371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,967
44,634
mp-1113880
-2.994722
1.2716
Rb2AlCuF6
0.076677
['Al', 'Cu', 'F', 'Rb']
# generated using pymatgen data_Rb2AlCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92158654 _cell_length_b 5.92158654 _cell_length_c 5.92158654 _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_Rb2AlCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37438800 _cell_length_b 8.37438800 _cell_length_c 8.37438800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,968
35,573
mp-1112075
-2.140689
3.7114
K2YAgCl6
0.036452
['Ag', 'Cl', 'K', 'Y']
# generated using pymatgen data_K2YAgCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58269351 _cell_length_b 7.58269351 _cell_length_c 7.58269351 _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_K2YAgCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.72354800 _cell_length_b 10.72354800 _cell_length_c 10.72354800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,969
15,803
mp-276
-0.432406
0
TbNi2
0
['Tb', 'Ni']
# generated using pymatgen data_TbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06877617 _cell_length_b 5.06877617 _cell_length_c 5.06877617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
227
227
# generated using pymatgen data_TbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16833200 _cell_length_b 7.16833200 _cell_length_c 7.16833200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
22,970
13,036
mp-1079852
-0.765821
0
ErZnPd
0
['Er', 'Pd', 'Zn']
# generated using pymatgen data_ErZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31935443 _cell_length_b 7.31935443 _cell_length_c 3.78942000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000389 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_ErZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31935443 _cell_length_b 7.31935443 _cell_length_c 3.78942000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,971
38,646
mp-1205760
-3.476783
2.8966
Sr2LuNbO6
0.047663
['Lu', 'Nb', 'O', 'Sr']
# generated using pymatgen data_Sr2LuNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89116681 _cell_length_b 5.89116681 _cell_length_c 5.89116681 _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_Sr2LuNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33136800 _cell_length_b 8.33136800 _cell_length_c 8.33136800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,972
33,014
mp-1030709
-0.743487
0.7464
TeMoSe
0.02873
['Mo', 'Se', 'Te']
# generated using pymatgen data_TeMoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44071200 _cell_length_b 3.44071200 _cell_length_c 39.07471600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000001 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_TeMoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44071200 _cell_length_b 3.44071200 _cell_length_c 39.07471600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,973
38,410
mp-755304
-2.437727
0
Mn6O5F7
0.046225
['F', 'Mn', 'O']
# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72129652 _cell_length_b 5.72129652 _cell_length_c 7.17494320 _cell_angle_alpha 74.32460710 _cell_angle_beta 74.32460710 _cell_angle_gamma 75.45102819 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05053199 _cell_length_b 7.00148599 _cell_length_c 7.17494320 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.97423521 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,974
42,902
mp-755717
-3.880877
4.6877
SmHoO3
0.066933
['Ho', 'O', 'Sm']
# generated using pymatgen data_SmHoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76511600 _cell_length_b 6.02410500 _cell_length_c 8.44694400 _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_SmHoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76511600 _cell_length_b 6.02410500 _cell_length_c 8.44694400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,975
10,934
mp-862895
-0.402023
0
Er2ZnRu
0
['Er', 'Zn', 'Ru']
# generated using pymatgen data_Er2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87462020 _cell_length_b 4.87462020 _cell_length_c 4.87462020 _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_Er2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89375400 _cell_length_b 6.89375400 _cell_length_c 6.89375400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,976
17,215
mp-12977
-0.807958
0
Dy2CdPd2
0
['Cd', 'Dy', 'Pd']
# generated using pymatgen data_Dy2CdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70890400 _cell_length_b 7.70890400 _cell_length_c 3.75454800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
127
127
# generated using pymatgen data_Dy2CdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70890400 _cell_length_b 7.70890400 _cell_length_c 3.75454800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,977
3,948
mp-865228
-0.962417
0
LiScPt2
0
['Li', 'Sc', 'Pt']
# generated using pymatgen data_LiScPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47682031 _cell_length_b 4.47682031 _cell_length_c 4.47682031 _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_LiScPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33118000 _cell_length_b 6.33118000 _cell_length_c 6.33118000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,978
25,593
mp-1183550
-0.656096
0
CaTmRh2
0.009603
['Ca', 'Rh', 'Tm']
# generated using pymatgen data_CaTmRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79352495 _cell_length_b 4.79352495 _cell_length_c 4.79352495 _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_CaTmRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77906800 _cell_length_b 6.77906800 _cell_length_c 6.77906800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,979
28,531
mp-1084
-0.211979
0
ZrB12
0.015872
['Zr', 'B']
# generated using pymatgen data_ZrB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23882121 _cell_length_b 5.23882121 _cell_length_c 5.23882121 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
225
225
# generated using pymatgen data_ZrB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40881201 _cell_length_b 7.40881201 _cell_length_c 7.40881201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
22,980
20,533
mp-1080060
-3.721568
3.8493
LaAlO3
0.000626
['Al', 'La', 'O']
# generated using pymatgen data_LaAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39873490 _cell_length_b 5.39873490 _cell_length_c 5.39873490 _cell_angle_alpha 119.94667171 _cell_angle_beta 119.78173404 _cell_angle_gamma 90.23542800 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_LaAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40308600 _cell_length_b 5.41653600 _cell_length_c 7.61926200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,981
6,267
mp-22261
-0.481141
0
InCuTe2
0
['Cu', 'In', 'Te']
# generated using pymatgen data_InCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71113791 _cell_length_b 7.71113791 _cell_length_c 7.71113791 _cell_angle_alpha 131.87364609 _cell_angle_beta 131.87364609 _cell_angle_gamma 70.42866250 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
122
122
# generated using pymatgen data_InCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28833600 _cell_length_b 6.28833600 _cell_length_c 12.60001000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,982
27,461
mp-973850
-0.520147
0
HoGa3
0.012379
['Ga', 'Ho']
# generated using pymatgen data_HoGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.40193714 _cell_length_b 12.40193714 _cell_length_c 12.40193648 _cell_angle_alpha 28.42414324 _cell_angle_beta 28.42414324 _cell_angle_gamma 28.42414485 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_HoGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08963975 _cell_length_b 6.08963975 _cell_length_c 35.67942293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,983
28,559
mp-1105922
-1.521064
0.5404
Ba2DyGaTe5
0.016168
['Ba', 'Dy', 'Ga', 'Te']
# generated using pymatgen data_Ba2DyGaTe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.45277750 _cell_length_b 10.45277750 _cell_length_c 14.31816300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 155.03411387 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
36
36
# generated using pymatgen data_Ba2DyGaTe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51871400 _cell_length_b 20.41135600 _cell_length_c 14.31816300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,984
23,174
mp-1217306
-0.762184
0
Th2Si3Ni
0.004922
['Ni', 'Si', 'Th']
# generated using pymatgen data_Th2Si3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09466036 _cell_length_b 4.09466036 _cell_length_c 8.16196500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000588 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
187
187
# generated using pymatgen data_Th2Si3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09466036 _cell_length_b 4.09466036 _cell_length_c 8.16196500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,985
32,060
mp-1105948
-0.507032
0
Ce5Sn3
0.025248
['Ce', 'Sn']
# generated using pymatgen data_Ce5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33943500 _cell_length_b 8.33943500 _cell_length_c 9.00843229 _cell_angle_alpha 117.57235096 _cell_angle_beta 117.57235096 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_Ce5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33943500 _cell_length_b 8.33943500 _cell_length_c 13.62039000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,986
3,631
mp-1189317
-0.404201
0
Mg2CrB2Ir5
0
['B', 'Cr', 'Ir', 'Mg']
# generated using pymatgen data_Mg2CrB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51560800 _cell_length_b 9.51560800 _cell_length_c 2.90846900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
127
127
# generated using pymatgen data_Mg2CrB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51560800 _cell_length_b 9.51560800 _cell_length_c 2.90846900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,987
3,339
mp-33569
-2.31864
1.8829
Sr(LaSe2)2
0
['La', 'Se', 'Sr']
# generated using pymatgen data_Sr(LaSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94509264 _cell_length_b 7.94509264 _cell_length_c 7.94509264 _cell_angle_alpha 109.43939285 _cell_angle_beta 109.43939285 _cell_angle_gamma 109.53489497 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
122
122
# generated using pymatgen data_Sr(LaSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17780600 _cell_length_b 9.17780600 _cell_length_c 9.16699200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,988
13,627
mp-1205636
-3.745965
3.4628
Ba2DyPaO6
0
['Ba', 'Dy', 'O', 'Pa']
# generated using pymatgen data_Ba2DyPaO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26979703 _cell_length_b 6.26979703 _cell_length_c 6.26979703 _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_Ba2DyPaO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86683199 _cell_length_b 8.86683199 _cell_length_c 8.86683199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,989
571
mp-1207893
-1.006241
0
V5Se8
0
['Se', 'V']
# generated using pymatgen data_V5Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90326423 _cell_length_b 6.90326423 _cell_length_c 8.38259344 _cell_angle_alpha 53.72741251 _cell_angle_beta 53.72741251 _cell_angle_gamma 62.39754854 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
12
12
# generated using pymatgen data_V5Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.80976401 _cell_length_b 7.15190200 _cell_length_c 8.38259344 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.76152784 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,990
7,777
mp-22249
-1.046776
0.0117
CeSbRh
0
['Ce', 'Rh', 'Sb']
# generated using pymatgen data_CeSbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65769700 _cell_length_b 7.34159100 _cell_length_c 7.83682300 _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_CeSbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65769700 _cell_length_b 7.34159100 _cell_length_c 7.83682300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,991
26,052
mp-1111621
-2.371845
3.9442
K2NaScCl6
0.01033
['Cl', 'K', 'Na', 'Sc']
# generated using pymatgen data_K2NaScCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38654067 _cell_length_b 7.38654067 _cell_length_c 7.38654067 _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_K2NaScCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.44614599 _cell_length_b 10.44614599 _cell_length_c 10.44614599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,992
14,347
mp-4088
-0.584082
0
La(FeSi)2
0
['La', 'Fe', 'Si']
# generated using pymatgen data_La(FeSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73591361 _cell_length_b 5.73591361 _cell_length_c 5.73591361 _cell_angle_alpha 138.55918834 _cell_angle_beta 138.55918834 _cell_angle_gamma 60.04764609 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_La(FeSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05882400 _cell_length_b 4.05882400 _cell_length_c 9.93250800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,993
14,375
mp-561947
-2.251983
1.2673
CsHgF3
0
['Cs', 'F', 'Hg']
# generated using pymatgen data_CsHgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67521600 _cell_length_b 4.67521600 _cell_length_c 4.67521600 _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_CsHgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67521600 _cell_length_b 4.67521600 _cell_length_c 4.67521600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,994
25,884
mp-5402
-1.730032
0.0439
CaTl2O4
0.009395
['Ca', 'O', 'Tl']
# generated using pymatgen data_CaTl2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85791657 _cell_length_b 5.85791657 _cell_length_c 10.65250900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.44851025 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_CaTl2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38150000 _cell_length_b 11.21722800 _cell_length_c 10.65250900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,995
7,497
mp-989612
-1.051438
1.4343
LaCrN3
0
['Cr', 'La', 'N']
# generated using pymatgen data_LaCrN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22685955 _cell_length_b 7.22685955 _cell_length_c 6.01210995 _cell_angle_alpha 78.20532871 _cell_angle_beta 78.20532871 _cell_angle_gamma 89.75799727 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_LaCrN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.24188400 _cell_length_b 10.19871600 _cell_length_c 6.01210995 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.76600749 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,996
7,558
mp-1103196
-0.310076
0
TaFeGe
0
['Fe', 'Ge', 'Ta']
# generated using pymatgen data_TaFeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23524100 _cell_length_b 3.84076500 _cell_length_c 7.11895300 _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_TaFeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84076500 _cell_length_b 6.23524100 _cell_length_c 7.11895300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,997
5,691
mp-1218056
-1.278921
0
Ta4AgS8
0
['Ag', 'S', 'Ta']
# generated using pymatgen data_Ta4AgS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35831700 _cell_length_b 5.82935100 _cell_length_c 13.76451709 _cell_angle_alpha 81.43399679 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_Ta4AgS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82935100 _cell_length_b 3.35831700 _cell_length_c 13.76451709 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.56600321 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,998
26,870
mp-510493
-0.598419
0
Ce5Ge3
0.011459
['Ce', 'Ge']
# generated using pymatgen data_Ce5Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90321443 _cell_length_b 8.90321443 _cell_length_c 6.21710400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000322 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Ce5Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90321443 _cell_length_b 8.90321443 _cell_length_c 6.21710400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,999
18,336
mp-34126
-0.123016
0.3672
Cu4SnP10
0
['Cu', 'P', 'Sn']
# generated using pymatgen data_Cu4SnP10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29631072 _cell_length_b 7.29631072 _cell_length_c 7.29630981 _cell_angle_alpha 59.96536155 _cell_angle_beta 59.96536155 _cell_angle_gamma 59.96535855 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
160
160
# generated using pymatgen data_Cu4SnP10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29248994 _cell_length_b 7.29248994 _cell_length_c 17.87691483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...