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
0
0.08
elements
stringlengths
5
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cif
stringlengths
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1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
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229
cif.conv
stringlengths
696
5.07k
22,600
24,290
mp-1245625
-0.313707
0
Mg(ZnN)2
0.006096
['Mg', 'N', 'Zn']
# generated using pymatgen data_Mg(ZnN)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34733100 _cell_length_b 3.34733872 _cell_length_c 5.82835000 _cell_angle_alpha 89.99999772 _cell_angle_beta 89.99993627 _cell_angle_gamma 120.00009821 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Mg(ZnN)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34733486 _cell_length_b 3.34733486 _cell_length_c 5.82835000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,601
36,958
mp-778848
-1.40926
0.1269
In3NO3
0.039742
['In', 'N', 'O']
# generated using pymatgen data_In3NO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59776632 _cell_length_b 6.59776632 _cell_length_c 6.59776551 _cell_angle_alpha 59.32398050 _cell_angle_beta 59.32398050 _cell_angle_gamma 59.32398327 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_In3NO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53023566 _cell_length_b 6.53023566 _cell_length_c 16.24323622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,602
8,755
mp-19359
-1.802676
1.9668
NaFeO2
0
['Na', 'Fe', 'O']
# generated using pymatgen data_NaFeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28949744 _cell_length_b 6.11838266 _cell_length_c 5.68545795 _cell_angle_alpha 89.99999523 _cell_angle_beta 71.93427820 _cell_angle_gamma 90.00000702 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_NaFeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05720488 _cell_length_b 3.05720488 _cell_length_c 16.21551900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,603
41,916
mp-755940
-2.712281
0.385
Mn3OF5
0.062294
['F', 'Mn', 'O']
# generated using pymatgen data_Mn3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84930400 _cell_length_b 4.86634700 _cell_length_c 9.84773700 _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_Mn3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84930400 _cell_length_b 4.86634700 _cell_length_c 9.84773700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,604
21,867
mp-561619
-2.051873
2.2054
CsLuS2
0.002039
['Cs', 'Lu', 'S']
# generated using pymatgen data_CsLuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34884542 _cell_length_b 8.34884542 _cell_length_c 8.34884547 _cell_angle_alpha 27.92501260 _cell_angle_beta 27.92501260 _cell_angle_gamma 27.92501296 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_CsLuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02893398 _cell_length_b 4.02893398 _cell_length_c 24.05477196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,605
11,324
mp-29989
-0.928167
0
Sm3(SiIr)2
0
['Ir', 'Si', 'Sm']
# generated using pymatgen data_Sm3(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71374146 _cell_length_b 5.71374146 _cell_length_c 13.41343100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 137.59516640 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
63
63
# generated using pymatgen data_Sm3(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13290800 _cell_length_b 10.65393999 _cell_length_c 13.41343100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,606
41,896
mp-754406
-2.294323
1.1829
Li2CuPO4
0.062072
['Cu', 'Li', 'O', 'P']
# generated using pymatgen data_Li2CuPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06793000 _cell_length_b 5.35831924 _cell_length_c 6.23811253 _cell_angle_alpha 90.36635774 _cell_angle_beta 90.00033984 _cell_angle_gamma 90.32507551 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Li2CuPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06793000 _cell_length_b 5.35831924 _cell_length_c 6.23811253 _cell_angle_alpha 90.36635774 _cell_angle_beta 90.00033984 _cell_angle_gamma 90.32507551 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,607
24,430
mp-685145
-1.455047
3.9556
BN
0.006333
['B', 'N']
# generated using pymatgen data_BN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12051319 _cell_length_b 3.71713314 _cell_length_c 2.51264253 _cell_angle_alpha 80.28599965 _cell_angle_beta 62.76916965 _cell_angle_gamma 36.94483069 _symmetry_Int_Tables_number 1 _chemical_formula_structural BN _...
42
42
# generated using pymatgen data_BN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51070600 _cell_length_b 4.35314200 _cell_length_c 6.99747601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BN _...
22,608
24,013
mp-10359
-0.334944
0
Zr(CoGe)6
0.006145
['Co', 'Ge', 'Zr']
# generated using pymatgen data_Zr(CoGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07411346 _cell_length_b 5.07411346 _cell_length_c 7.77671000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999293 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
191
191
# generated using pymatgen data_Zr(CoGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07411346 _cell_length_b 5.07411346 _cell_length_c 7.77671000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,609
9,390
mp-677335
-2.59227
4.8469
GaPO4
0
['Ga', 'P', 'O']
# generated using pymatgen data_GaPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15126856 _cell_length_b 5.15126856 _cell_length_c 5.15126856 _cell_angle_alpha 120.82725063 _cell_angle_beta 120.82725063 _cell_angle_gamma 88.57303408 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
82
82
# generated using pymatgen data_GaPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08672400 _cell_length_b 5.08672400 _cell_length_c 7.37514400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural G...
22,610
8,810
mp-2422
-0.609828
0
ErGa2
0
['Er', 'Ga']
# generated using pymatgen data_ErGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19784799 _cell_length_b 4.19784799 _cell_length_c 4.06654200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999987 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_ErGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19784799 _cell_length_b 4.19784799 _cell_length_c 4.06654200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,611
22,278
mp-1329
-1.679728
0
LaTe2
0.002946
['La', 'Te']
# generated using pymatgen data_LaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55965700 _cell_length_b 4.55965700 _cell_length_c 9.29189300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
129
129
# generated using pymatgen data_LaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55965700 _cell_length_b 4.55965700 _cell_length_c 9.29189300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
22,612
30,760
mp-1227048
-0.394277
0
CaLaAl4
0.020176
['Al', 'Ca', 'La']
# generated using pymatgen data_CaLaAl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71883782 _cell_length_b 5.71883782 _cell_length_c 5.71883782 _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_CaLaAl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08765801 _cell_length_b 8.08765801 _cell_length_c 8.08765801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,613
17,043
mp-1087498
-0.922718
0
Ce(AsRh)2
0
['As', 'Ce', 'Rh']
# generated using pymatgen data_Ce(AsRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30394900 _cell_length_b 4.30394900 _cell_length_c 10.02689000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
129
129
# generated using pymatgen data_Ce(AsRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30394900 _cell_length_b 4.30394900 _cell_length_c 10.02689000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,614
30,679
mp-1217049
-0.301305
0
TiAl2Cr3C2
0.020212
['Al', 'C', 'Cr', 'Ti']
# generated using pymatgen data_TiAl2Cr3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89196375 _cell_length_b 2.89196375 _cell_length_c 12.93831700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999424 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
156
156
# generated using pymatgen data_TiAl2Cr3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89196375 _cell_length_b 2.89196375 _cell_length_c 12.93831700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,615
24,291
mp-1246504
-0.782409
0
Ca4OsN4
0.006167
['Ca', 'N', 'Os']
# generated using pymatgen data_Ca4OsN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09646471 _cell_length_b 6.04327108 _cell_length_c 8.70921323 _cell_angle_alpha 68.19212610 _cell_angle_beta 78.40026479 _cell_angle_gamma 69.81687843 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Ca4OsN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04327108 _cell_length_b 6.09646471 _cell_length_c 8.55957500 _cell_angle_alpha 87.76459439 _cell_angle_beta 109.14953703 _cell_angle_gamma 110.18312157 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,616
35,241
mp-1223144
-2.481009
1.3549
La4As2S5O4
0.03533
['As', 'La', 'O', 'S']
# generated using pymatgen data_La4As2S5O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21978700 _cell_length_b 8.31534005 _cell_length_c 9.69501459 _cell_angle_alpha 101.99036556 _cell_angle_beta 102.11269276 _cell_angle_gamma 91.92773142 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
1
1
# generated using pymatgen data_La4As2S5O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21978700 _cell_length_b 8.31534005 _cell_length_c 9.69501459 _cell_angle_alpha 101.99036556 _cell_angle_beta 102.11269276 _cell_angle_gamma 91.92773142 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,617
36,331
mp-33737
-1.473766
0
Mn3Cu3O8
0.038378
['Cu', 'Mn', 'O']
# generated using pymatgen data_Mn3Cu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96402799 _cell_length_b 5.96402884 _cell_length_c 5.96402862 _cell_angle_alpha 60.51260346 _cell_angle_beta 60.51259811 _cell_angle_gamma 60.51260114 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Mn3Cu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01017793 _cell_length_b 6.01017793 _cell_length_c 14.55197627 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,618
17,945
mp-865260
-0.714754
0
Lu2ZnIr
0
['Ir', 'Lu', 'Zn']
# generated using pymatgen data_Lu2ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82768245 _cell_length_b 4.82768245 _cell_length_c 4.82768245 _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_Lu2ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82737400 _cell_length_b 6.82737400 _cell_length_c 6.82737400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,619
10,740
mp-21288
-0.766236
0
La2InGe2
0
['Ge', 'In', 'La']
# generated using pymatgen data_La2InGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72629600 _cell_length_b 7.72629600 _cell_length_c 4.45995400 _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_La2InGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72629600 _cell_length_b 7.72629600 _cell_length_c 4.45995400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,620
38,898
mp-753780
-2.533001
0
LiMn2O2F3
0.048793
['F', 'Li', 'Mn', 'O']
# generated using pymatgen data_LiMn2O2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42324681 _cell_length_b 5.42324681 _cell_length_c 9.92997148 _cell_angle_alpha 87.74894448 _cell_angle_beta 87.74894448 _cell_angle_gamma 42.42150171 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
8
8
# generated using pymatgen data_LiMn2O2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11170800 _cell_length_b 3.92425600 _cell_length_c 9.92997148 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.41472618 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,621
27,675
mp-1214096
-2.373604
1.4383
Ca(ErS2)2
0.013487
['Ca', 'Er', 'S']
# generated using pymatgen data_Ca(ErS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69009846 _cell_length_b 6.69009846 _cell_length_c 13.23820000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.36684754 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
36
36
# generated using pymatgen data_Ca(ErS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87100800 _cell_length_b 12.80800401 _cell_length_c 13.23820000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,622
14,466
mp-8999
-0.637688
0
NbNiTe5
0
['Nb', 'Ni', 'Te']
# generated using pymatgen data_NbNiTe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12449842 _cell_length_b 7.12449842 _cell_length_c 15.27028900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.83241723 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_NbNiTe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70803600 _cell_length_b 13.75806600 _cell_length_c 15.27028900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,623
32,395
mp-600001
-3.241887
5.4925
SiO2
0.025293
['O', 'Si']
# generated using pymatgen data_SiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96742100 _cell_length_b 6.96742100 _cell_length_c 6.47197600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si...
115
115
# generated using pymatgen data_SiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96742100 _cell_length_b 6.96742100 _cell_length_c 6.47197600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si...
22,624
16,386
mp-605786
-3.078559
0
Eu2BrO2
0
['Br', 'Eu', 'O']
# generated using pymatgen data_Eu2BrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77587531 _cell_length_b 6.77587531 _cell_length_c 9.73797366 _cell_angle_alpha 59.12852236 _cell_angle_beta 59.12852236 _cell_angle_gamma 34.33967384 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Eu2BrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.94780200 _cell_length_b 4.00054600 _cell_length_c 9.73797366 _cell_angle_alpha 90.00000000 _cell_angle_beta 122.48292061 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,625
35,462
mp-768308
-2.09067
0
LaAgO3
0.035819
['Ag', 'La', 'O']
# generated using pymatgen data_LaAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73108100 _cell_length_b 5.73108100 _cell_length_c 5.73108061 _cell_angle_alpha 62.31957935 _cell_angle_beta 62.31957935 _cell_angle_gamma 62.31958708 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
161
161
# generated using pymatgen data_LaAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93082757 _cell_length_b 5.93082757 _cell_length_c 13.78707545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,626
6,624
mp-1188451
-0.590595
0
Nd(P3Os)4
0
['Nd', 'Os', 'P']
# generated using pymatgen data_Nd(P3Os)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04214273 _cell_length_b 7.04214273 _cell_length_c 7.04214273 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
204
204
# generated using pymatgen data_Nd(P3Os)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13156600 _cell_length_b 8.13156600 _cell_length_c 8.13156600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,627
33,709
mp-1218420
-2.868347
0
Sr3DyMn2O8
0.02961
['Dy', 'Mn', 'O', 'Sr']
# generated using pymatgen data_Sr3DyMn2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71531732 _cell_length_b 6.71531732 _cell_length_c 5.52577800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 131.66452138 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
38
38
# generated using pymatgen data_Sr3DyMn2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49862800 _cell_length_b 12.25345000 _cell_length_c 5.52577800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,628
39,717
mp-1222904
-0.182696
0
LaYC3
0.053857
['C', 'La', 'Y']
# generated using pymatgen data_LaYC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40105483 _cell_length_b 7.40105483 _cell_length_c 7.40105483 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
199
199
# generated using pymatgen data_LaYC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54600200 _cell_length_b 8.54600200 _cell_length_c 8.54600200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
22,629
20,917
mp-7158
-0.359779
0
Lu(AlGe)2
0.000658
['Al', 'Ge', 'Lu']
# generated using pymatgen data_Lu(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28256604 _cell_length_b 4.28256604 _cell_length_c 6.44477200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000068 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Lu(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28256604 _cell_length_b 4.28256604 _cell_length_c 6.44477200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,630
23,315
mp-22596
-0.464618
0
Ni3(PbS)2
0.004324
['Ni', 'Pb', 'S']
# generated using pymatgen data_Ni3(PbS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64639079 _cell_length_b 5.64639079 _cell_length_c 5.64639109 _cell_angle_alpha 60.33857799 _cell_angle_beta 60.33857799 _cell_angle_gamma 60.33857690 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_Ni3(PbS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67526213 _cell_length_b 5.67526213 _cell_length_c 13.79528067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,631
29,415
mp-7260
-0.428475
2.6135
P4S5
0.017002
['P', 'S']
# generated using pymatgen data_P4S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.25714500 _cell_length_b 6.79224100 _cell_length_c 7.16303242 _cell_angle_alpha 62.82371533 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
11
11
# generated using pymatgen data_P4S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79224100 _cell_length_b 12.25714500 _cell_length_c 7.16303242 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.17628467 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,632
8,671
mp-1212604
-0.644449
0
GdAl3Ni2
0
['Al', 'Gd', 'Ni']
# generated using pymatgen data_GdAl3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10288195 _cell_length_b 9.10288195 _cell_length_c 4.07602900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999962 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
191
191
# generated using pymatgen data_GdAl3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10288195 _cell_length_b 9.10288195 _cell_length_c 4.07602900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,633
36,060
mp-1112107
-1.178863
1.4067
Cs2TlInI6
0.039497
['Cs', 'I', 'In', 'Tl']
# generated using pymatgen data_Cs2TlInI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90894440 _cell_length_b 8.90894440 _cell_length_c 8.90894440 _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_Cs2TlInI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.59915000 _cell_length_b 12.59915000 _cell_length_c 12.59915000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,634
44,128
mp-1177470
-1.347498
0
Li3VS3
0.074873
['Li', 'S', 'V']
# generated using pymatgen data_Li3VS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76225636 _cell_length_b 6.76225636 _cell_length_c 6.76225659 _cell_angle_alpha 111.51951592 _cell_angle_beta 111.51951592 _cell_angle_gamma 111.51951977 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
161
161
# generated using pymatgen data_Li3VS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.18051997 _cell_length_b 11.18051997 _cell_length_c 6.04490939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,635
6,572
mp-1104206
-0.954943
0
Ho3Pd4
0
['Ho', 'Pd']
# generated using pymatgen data_Ho3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85076438 _cell_length_b 7.85076438 _cell_length_c 7.85076435 _cell_angle_alpha 114.29143566 _cell_angle_beta 114.29143566 _cell_angle_gamma 114.29142884 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_Ho3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.19011624 _cell_length_b 13.19011624 _cell_length_c 5.72477119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,636
25,479
mp-976847
-0.188611
0
Ni3Sb
0.008295
['Ni', 'Sb']
# generated using pymatgen data_Ni3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72588200 _cell_length_b 3.72588200 _cell_length_c 3.72588200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
221
221
# generated using pymatgen data_Ni3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72588200 _cell_length_b 3.72588200 _cell_length_c 3.72588200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
22,637
35,376
mp-561830
-0.944371
0.0321
Cs2CoS2
0.03417
['Cs', 'Co', 'S']
# generated using pymatgen data_Cs2CoS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47382408 _cell_length_b 8.47382408 _cell_length_c 8.47382408 _cell_angle_alpha 136.69537366 _cell_angle_beta 128.27320681 _cell_angle_gamma 69.68816596 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
72
72
# generated using pymatgen data_Cs2CoS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25323000 _cell_length_b 7.39302200 _cell_length_c 13.90910200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,638
40,928
mp-756375
-1.517117
0
Li4FeCu3O8
0.057054
['Cu', 'Fe', 'Li', 'O']
# generated using pymatgen data_Li4FeCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90241993 _cell_length_b 5.90241993 _cell_length_c 5.90242056 _cell_angle_alpha 59.70352939 _cell_angle_beta 59.70352939 _cell_angle_gamma 59.70352308 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li4FeCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87595044 _cell_length_b 5.87595044 _cell_length_c 14.49022725 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,639
24,275
mp-1227076
-0.538172
0
CaLa3Si8
0.006797
['Ca', 'La', 'Si']
# generated using pymatgen data_CaLa3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26484300 _cell_length_b 4.26484300 _cell_length_c 14.16153500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
115
115
# generated using pymatgen data_CaLa3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26484300 _cell_length_b 4.26484300 _cell_length_c 14.16153500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,640
25,538
mp-1079993
-2.048387
0
ThAgPO
0.009645
['Ag', 'O', 'P', 'Th']
# generated using pymatgen data_ThAgPO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99342900 _cell_length_b 3.99342900 _cell_length_c 8.81065600 _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_ThAgPO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99342900 _cell_length_b 3.99342900 _cell_length_c 8.81065600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,641
6,351
mp-560340
-2.572203
1.1457
La2Pd2O5
0
['La', 'Pd', 'O']
# generated using pymatgen data_La2Pd2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75307200 _cell_length_b 6.75307200 _cell_length_c 5.66666400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
84
84
# generated using pymatgen data_La2Pd2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75307200 _cell_length_b 6.75307200 _cell_length_c 5.66666400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,642
37,081
mp-1112637
-2.380659
0
Cs2TlCuF6
0.042777
['Cs', 'Cu', 'F', 'Tl']
# generated using pymatgen data_Cs2TlCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35045246 _cell_length_b 6.35045246 _cell_length_c 6.35045246 _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_Cs2TlCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98089600 _cell_length_b 8.98089600 _cell_length_c 8.98089600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,643
379
mp-28741
-0.535839
1.2244
CuSe3Br
0
['Br', 'Cu', 'Se']
# generated using pymatgen data_CuSe3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98798100 _cell_length_b 7.58663800 _cell_length_c 14.47831700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
53
53
# generated using pymatgen data_CuSe3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98798100 _cell_length_b 7.58663800 _cell_length_c 14.47831700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,644
7,973
mp-9293
-0.735356
0
EuGeAu
0
['Au', 'Eu', 'Ge']
# generated using pymatgen data_EuGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92119149 _cell_length_b 5.92119149 _cell_length_c 5.92119149 _cell_angle_alpha 133.84531982 _cell_angle_beta 102.26666621 _cell_angle_gamma 95.44120293 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_EuGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64189800 _cell_length_b 7.43121601 _cell_length_c 7.96692201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,645
40,052
mp-1103352
-0.530418
0
Hf4CuP
0.054844
['Cu', 'Hf', 'P']
# generated using pymatgen data_Hf4CuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48771900 _cell_length_b 6.48771900 _cell_length_c 5.21553800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
124
124
# generated using pymatgen data_Hf4CuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48771900 _cell_length_b 6.48771900 _cell_length_c 5.21553800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,646
3,429
mp-8219
-0.659114
0
Zr(CuP)2
0
['Zr', 'Cu', 'P']
# generated using pymatgen data_Zr(CuP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82115449 _cell_length_b 3.82115449 _cell_length_c 6.16624200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000846 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Zr(CuP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82115449 _cell_length_b 3.82115449 _cell_length_c 6.16624200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,647
14,980
mp-9570
-0.563116
0.8209
Ca(CdP)2
0
['Ca', 'Cd', 'P']
# generated using pymatgen data_Ca(CdP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32124033 _cell_length_b 4.32124033 _cell_length_c 7.07227600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000509 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Ca(CdP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32124033 _cell_length_b 4.32124033 _cell_length_c 7.07227600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,648
16,300
mp-3033
-3.034162
3.5455
RbTaO3
0
['Rb', 'Ta', 'O']
# generated using pymatgen data_RbTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48784057 _cell_length_b 6.48784057 _cell_length_c 8.27244152 _cell_angle_alpha 86.45282009 _cell_angle_beta 86.45282009 _cell_angle_gamma 82.95116360 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_RbTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72187399 _cell_length_b 8.59380399 _cell_length_c 8.27244152 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.73675310 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,649
44,038
mp-1079209
-0.311116
0
Yb2CuGe6
0.074291
['Cu', 'Ge', 'Yb']
# generated using pymatgen data_Yb2CuGe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21437079 _cell_length_b 11.21437079 _cell_length_c 4.09698400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.45833698 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
38
38
# generated using pymatgen data_Yb2CuGe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99907400 _cell_length_b 22.06934199 _cell_length_c 4.09698400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,650
11,965
mp-867143
-0.563991
0
SmGa3
0
['Sm', 'Ga']
# generated using pymatgen data_SmGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38233144 _cell_length_b 6.38233144 _cell_length_c 4.59837800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999419 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_SmGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38233144 _cell_length_b 6.38233144 _cell_length_c 4.59837800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,651
34,100
mp-1183569
-0.793353
0
CaHoPd2
0.030588
['Ca', 'Ho', 'Pd']
# generated using pymatgen data_CaHoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96418235 _cell_length_b 4.96418235 _cell_length_c 4.96418235 _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_CaHoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02041401 _cell_length_b 7.02041401 _cell_length_c 7.02041401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,652
7,728
mp-1520996
-3.005086
0.1995
BaCaEuWO6
0
['Ba', 'Ca', 'Eu', 'O', 'W']
# generated using pymatgen data_BaCaEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93214857 _cell_length_b 5.95746799 _cell_length_c 8.39142769 _cell_angle_alpha 90.74287598 _cell_angle_beta 90.45216021 _cell_angle_gamma 90.28727367 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_BaCaEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93214857 _cell_length_b 5.95746799 _cell_length_c 8.39142769 _cell_angle_alpha 90.74287598 _cell_angle_beta 90.45216021 _cell_angle_gamma 90.28727367 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,653
43,191
mp-1220475
-1.228028
0
Nb7S8
0.069394
['Nb', 'S']
# generated using pymatgen data_Nb7S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73775389 _cell_length_b 6.73775389 _cell_length_c 6.46268900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999891 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_Nb7S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73775389 _cell_length_b 6.73775389 _cell_length_c 6.46268900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,654
34,791
mp-1518126
-3.032519
0.3071
SrEuNbGaO6
0.032674
['Eu', 'Ga', 'Nb', 'O', 'Sr']
# generated using pymatgen data_SrEuNbGaO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65089614 _cell_length_b 5.65089614 _cell_length_c 5.65089614 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
216
216
# generated using pymatgen data_SrEuNbGaO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99157396 _cell_length_b 7.99157396 _cell_length_c 7.99157396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,655
7,667
mp-1212048
-0.226289
0
HoMn6(Sn2Ge)2
0
['Ge', 'Ho', 'Mn', 'Sn']
# generated using pymatgen data_HoMn6(Sn2Ge)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34758572 _cell_length_b 5.34758572 _cell_length_c 8.66926700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999652 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
191
191
# generated using pymatgen data_HoMn6(Sn2Ge)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34758572 _cell_length_b 5.34758572 _cell_length_c 8.66926700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
22,656
33,493
mp-998231
-1.631652
2.5104
KGeCl3
0.028223
['Cl', 'Ge', 'K']
# generated using pymatgen data_KGeCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35616159 _cell_length_b 5.35616159 _cell_length_c 5.33510833 _cell_angle_alpha 89.08382834 _cell_angle_beta 89.08382834 _cell_angle_gamma 89.15415082 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_KGeCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63046201 _cell_length_b 7.51863801 _cell_length_c 5.33510833 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.28625672 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,657
39,215
mp-1221528
-0.147523
0
Mn2SbAs
0.050938
['As', 'Mn', 'Sb']
# generated using pymatgen data_Mn2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84665616 _cell_length_b 3.84665616 _cell_length_c 5.66690600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000275 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_Mn2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84665616 _cell_length_b 3.84665616 _cell_length_c 5.66690600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,658
13,939
mp-865351
-0.418754
0
Tm2ZnRu
0
['Ru', 'Tm', 'Zn']
# generated using pymatgen data_Tm2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85093495 _cell_length_b 4.85093495 _cell_length_c 4.85093495 _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_Tm2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86025800 _cell_length_b 6.86025800 _cell_length_c 6.86025800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,659
37,638
mp-1186862
0.015051
0
Tb5Mg
0.04349
['Mg', 'Tb']
# generated using pymatgen data_Tb5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62834882 _cell_length_b 6.62834882 _cell_length_c 6.62834823 _cell_angle_alpha 55.39132750 _cell_angle_beta 55.39132750 _cell_angle_gamma 55.39132625 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
155
155
# generated using pymatgen data_Tb5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16138192 _cell_length_b 6.16138192 _cell_length_c 16.77877136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,660
26,567
mp-1113004
-2.418505
3.7721
Cs2LiScCl6
0.011216
['Cl', 'Cs', 'Li', 'Sc']
# generated using pymatgen data_Cs2LiScCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36232934 _cell_length_b 7.36232934 _cell_length_c 7.36232934 _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_Cs2LiScCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.41190600 _cell_length_b 10.41190600 _cell_length_c 10.41190600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,661
445
mp-24424
-1.663149
3.456
BaHBr
0
['Ba', 'Br', 'H']
# generated using pymatgen data_BaHBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58602800 _cell_length_b 4.58602800 _cell_length_c 7.46373300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
129
129
# generated using pymatgen data_BaHBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58602800 _cell_length_b 4.58602800 _cell_length_c 7.46373300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
22,662
29,951
mp-862546
-0.529614
0
Sc2AlRu
0.018248
['Sc', 'Al', 'Ru']
# generated using pymatgen data_Sc2AlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66362237 _cell_length_b 4.66362237 _cell_length_c 4.66362237 _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_Sc2AlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59535801 _cell_length_b 6.59535801 _cell_length_c 6.59535801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,663
32,403
mp-697501
-1.62423
0
VH2SeO5
0.024922
['H', 'O', 'Se', 'V']
# generated using pymatgen data_VH2SeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14342500 _cell_length_b 6.28762334 _cell_length_c 6.44461629 _cell_angle_alpha 92.10613347 _cell_angle_beta 101.25823747 _cell_angle_gamma 117.87799429 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_VH2SeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14342500 _cell_length_b 6.28762334 _cell_length_c 6.44461629 _cell_angle_alpha 92.10613347 _cell_angle_beta 101.25823747 _cell_angle_gamma 117.87799429 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,664
43,902
mp-756390
-1.464258
0.0486
Li3MnCu3O8
0.07293
['Cu', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li3MnCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93061191 _cell_length_b 5.93061191 _cell_length_c 5.93061238 _cell_angle_alpha 59.34762389 _cell_angle_beta 59.34762389 _cell_angle_gamma 59.34761992 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li3MnCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87203630 _cell_length_b 5.87203630 _cell_length_c 14.59818485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,665
15,969
mp-867178
-0.333867
0
PrMgCd2
0
['Pr', 'Mg', 'Cd']
# generated using pymatgen data_PrMgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22721334 _cell_length_b 5.22721334 _cell_length_c 5.22721334 _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_PrMgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39239600 _cell_length_b 7.39239600 _cell_length_c 7.39239600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,666
39,554
mp-1102046
0.048279
0
MnInCu4
0.051909
['Cu', 'In', 'Mn']
# generated using pymatgen data_MnInCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96886300 _cell_length_b 4.97526354 _cell_length_c 7.89676000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95744628 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_MnInCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97206327 _cell_length_b 4.97206327 _cell_length_c 7.89676000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,667
15,900
mp-638685
-2.293615
1.0355
CsEuBr3
0
['Br', 'Cs', 'Eu']
# generated using pymatgen data_CsEuBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31937100 _cell_length_b 8.39361000 _cell_length_c 11.92471700 _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_CsEuBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31937100 _cell_length_b 8.39361000 _cell_length_c 11.92471700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,668
7,043
mp-1080466
-1.123423
0
Nb2PdS6
0
['Nb', 'Pd', 'S']
# generated using pymatgen data_Nb2PdS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43260556 _cell_length_b 6.43260556 _cell_length_c 10.21745671 _cell_angle_alpha 63.61167178 _cell_angle_beta 63.61167178 _cell_angle_gamma 29.79696143 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Nb2PdS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.43272000 _cell_length_b 3.30773800 _cell_length_c 10.21745671 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.38153684 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,669
25,588
mp-1181434
-0.386758
0
Er3Co11B4
0.008835
['B', 'Co', 'Er']
# generated using pymatgen data_Er3Co11B4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99756230 _cell_length_b 4.99756230 _cell_length_c 9.74310500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000402 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
191
191
# generated using pymatgen data_Er3Co11B4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99756230 _cell_length_b 4.99756230 _cell_length_c 9.74310500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,670
36,084
mp-1173936
-1.986009
0
Li3Mn2CoO6
0.038068
['Co', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li3Mn2CoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11684041 _cell_length_b 5.11684041 _cell_length_c 5.19859978 _cell_angle_alpha 79.62449273 _cell_angle_beta 79.62449273 _cell_angle_gamma 118.72267621 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Li3Mn2CoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21531000 _cell_length_b 8.80504200 _cell_length_c 5.19859978 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.69520191 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,671
26,939
mp-770843
-2.43938
0.0143
VCrO3
0.011187
['Cr', 'O', 'V']
# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10522800 _cell_length_b 5.50336264 _cell_length_c 7.50375344 _cell_angle_alpha 95.83462303 _cell_angle_beta 90.06115366 _cell_angle_gamma 90.04417409 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
1
1
# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10522800 _cell_length_b 5.50336264 _cell_length_c 7.50375344 _cell_angle_alpha 95.83462303 _cell_angle_beta 90.06115366 _cell_angle_gamma 90.04417409 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
22,672
36,190
mp-1218089
-2.600901
0
SrPrGaCuO5
0.03886
['Cu', 'Ga', 'O', 'Pr', 'Sr']
# generated using pymatgen data_SrPrGaCuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13226426 _cell_length_b 9.13226426 _cell_length_c 5.35781315 _cell_angle_alpha 72.97233498 _cell_angle_beta 72.97233498 _cell_angle_gamma 129.80513002 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
8
8
# generated using pymatgen data_SrPrGaCuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74706200 _cell_length_b 16.54013399 _cell_length_c 5.35781315 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.66068391 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,673
25,149
mp-1205518
-0.773701
0
Y2MgPd2
0.007899
['Mg', 'Pd', 'Y']
# generated using pymatgen data_Y2MgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89633000 _cell_length_b 7.61153900 _cell_length_c 7.61153900 _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_Y2MgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61153900 _cell_length_b 7.61153900 _cell_length_c 3.89633000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,674
3,128
mp-1205557
-3.508538
0
Ba2UTiO6
0
['Ba', 'O', 'Ti', 'U']
# generated using pymatgen data_Ba2UTiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98196356 _cell_length_b 5.98196356 _cell_length_c 5.98196356 _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_Ba2UTiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45977400 _cell_length_b 8.45977400 _cell_length_c 8.45977400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,675
17,591
mp-1112467
-2.690748
2.2432
K2GaAgF6
0
['Ag', 'F', 'Ga', 'K']
# generated using pymatgen data_K2GaAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14053084 _cell_length_b 6.14053084 _cell_length_c 6.14053084 _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_K2GaAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68402199 _cell_length_b 8.68402199 _cell_length_c 8.68402199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,676
11,523
mp-1070869
-0.150229
0
ZrCu4Ag
0
['Ag', 'Cu', 'Zr']
# generated using pymatgen data_ZrCu4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95217143 _cell_length_b 4.95217143 _cell_length_c 4.95217143 _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_ZrCu4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00342800 _cell_length_b 7.00342800 _cell_length_c 7.00342800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,677
29,187
mp-1216503
-1.196872
0
V6InS8
0.017058
['In', 'S', 'V']
# generated using pymatgen data_V6InS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18630569 _cell_length_b 9.18630569 _cell_length_c 3.23650000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999774 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
143
143
# generated using pymatgen data_V6InS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18630569 _cell_length_b 9.18630569 _cell_length_c 3.23650000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,678
40,778
mp-1247272
-1.845227
0
Y3Mg2MnS8
0.05768
['Mg', 'Mn', 'S', 'Y']
# generated using pymatgen data_Y3Mg2MnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81025112 _cell_length_b 7.72975310 _cell_length_c 7.81537039 _cell_angle_alpha 59.49770864 _cell_angle_beta 60.07628540 _cell_angle_gamma 59.53385026 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_Y3Mg2MnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81603499 _cell_length_b 7.81603499 _cell_length_c 18.79051131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,679
20,574
mp-1120788
-0.981378
0.1097
CoCl2
0.000419
['Cl', 'Co']
# generated using pymatgen data_CoCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52767734 _cell_length_b 3.52767734 _cell_length_c 16.59289300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998759 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_CoCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52767734 _cell_length_b 3.52767734 _cell_length_c 16.59289300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,680
9,100
mp-1173352
-4.134515
2.7876
PmPaO4
0
['O', 'Pa', 'Pm']
# generated using pymatgen data_PmPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67785526 _cell_length_b 6.67785526 _cell_length_c 6.67785526 _cell_angle_alpha 131.47831865 _cell_angle_beta 131.47831865 _cell_angle_gamma 71.05422439 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_PmPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48774600 _cell_length_b 5.48774600 _cell_length_c 10.86942000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,681
29,595
mp-1173178
-2.334563
0.0137
SrLaCuRuO6
0.018699
['Cu', 'La', 'O', 'Ru', 'Sr']
# generated using pymatgen data_SrLaCuRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81242200 _cell_length_b 5.70343941 _cell_length_c 7.70900130 _cell_angle_alpha 89.80954195 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
7
7
# generated using pymatgen data_SrLaCuRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70343941 _cell_length_b 5.81242200 _cell_length_c 9.57421611 _cell_angle_alpha 90.00000000 _cell_angle_beta 126.37244446 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,682
19,739
mp-20010
-0.687435
0
DyCuGe
0
['Dy', 'Cu', 'Ge']
# generated using pymatgen data_DyCuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27063800 _cell_length_b 4.27063800 _cell_length_c 7.19743700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000002 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_DyCuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27063800 _cell_length_b 4.27063800 _cell_length_c 7.19743700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,683
5,747
mp-20136
-0.588224
0
BaPb
0
['Ba', 'Pb']
# generated using pymatgen data_BaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00766036 _cell_length_b 7.00766036 _cell_length_c 4.90388300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.72352642 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
63
63
# generated using pymatgen data_BaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39465600 _cell_length_b 12.93549000 _cell_length_c 4.90388300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
22,684
27,899
mp-644500
-0.025341
0
Zn7Mo
0.012574
['Zn', 'Mo']
# generated using pymatgen data_Zn7Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52899520 _cell_length_b 5.52899520 _cell_length_c 5.52899520 _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_Zn7Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81918000 _cell_length_b 7.81918000 _cell_length_c 7.81918000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
22,685
8,951
mp-864926
-0.363921
0
HfPaTc2
0
['Hf', 'Pa', 'Tc']
# generated using pymatgen data_HfPaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75271499 _cell_length_b 4.75271499 _cell_length_c 4.75271499 _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_HfPaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72135400 _cell_length_b 6.72135400 _cell_length_c 6.72135400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,686
24,464
mp-867192
-0.966427
0.5562
Sr2AsAu
0.006151
['Sr', 'As', 'Au']
# generated using pymatgen data_Sr2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42603621 _cell_length_b 5.42603621 _cell_length_c 5.42603621 _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_Sr2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67357400 _cell_length_b 7.67357400 _cell_length_c 7.67357400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,687
20,124
mp-1208300
-1.264589
0
TbPPd
0
['P', 'Pd', 'Tb']
# generated using pymatgen data_TbPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04026500 _cell_length_b 6.96098700 _cell_length_c 7.76171300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
62
62
# generated using pymatgen data_TbPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04026500 _cell_length_b 6.96098700 _cell_length_c 7.76171300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
22,688
9,915
mp-8256
-2.034822
2.1396
ZnPtF6
0
['Zn', 'Pt', 'F']
# generated using pymatgen data_ZnPtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50901954 _cell_length_b 5.50901954 _cell_length_c 5.50901940 _cell_angle_alpha 55.48777446 _cell_angle_beta 55.48777446 _cell_angle_gamma 55.48776671 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_ZnPtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12911829 _cell_length_b 5.12911829 _cell_length_c 13.93628701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,689
38,018
mp-1078053
-0.718026
0
Ga2FeSe4
0.047197
['Fe', 'Ga', 'Se']
# generated using pymatgen data_Ga2FeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51653200 _cell_length_b 5.51653200 _cell_length_c 5.74486600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
111
111
# generated using pymatgen data_Ga2FeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51653200 _cell_length_b 5.51653200 _cell_length_c 5.74486600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,690
18,760
mp-22725
-0.109212
0
TiInCu2
0
['Ti', 'In', 'Cu']
# generated using pymatgen data_TiInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42808793 _cell_length_b 4.42808793 _cell_length_c 4.42808793 _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_TiInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26226201 _cell_length_b 6.26226201 _cell_length_c 6.26226201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,691
36,276
mp-1247250
-1.059612
0
Mg2MnIn3S8
0.038146
['In', 'Mg', 'Mn', 'S']
# generated using pymatgen data_Mg2MnIn3S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64259264 _cell_length_b 7.56912500 _cell_length_c 7.64365295 _cell_angle_alpha 59.61870034 _cell_angle_beta 60.03442357 _cell_angle_gamma 59.63190720 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Mg2MnIn3S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64312279 _cell_length_b 7.64312279 _cell_length_c 18.43315630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,692
38,501
mp-1017466
-2.450624
0
SrMnO3
0.049247
['Sr', 'Mn', 'O']
# generated using pymatgen data_SrMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90309100 _cell_length_b 8.62571370 _cell_length_c 7.68546800 _cell_angle_alpha 63.54394851 _cell_angle_beta 89.99659718 _cell_angle_gamma 89.99864260 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
221
221
# generated using pymatgen data_SrMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86900792 _cell_length_b 3.86900792 _cell_length_c 3.86900792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,693
9,772
mp-21001
-0.653742
0
Y(GeRu)2
0
['Ge', 'Ru', 'Y']
# generated using pymatgen data_Y(GeRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80437316 _cell_length_b 5.80437316 _cell_length_c 5.80437316 _cell_angle_alpha 136.81714064 _cell_angle_beta 136.81714064 _cell_angle_gamma 62.71952115 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Y(GeRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27185000 _cell_length_b 4.27185000 _cell_length_c 9.91290000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,694
34,596
mp-1114713
-2.567521
0
Rb3NiF6
0.032791
['F', 'Ni', 'Rb']
# generated using pymatgen data_Rb3NiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41115000 _cell_length_b 6.41115020 _cell_length_c 6.41114979 _cell_angle_alpha 60.00000450 _cell_angle_beta 59.99999889 _cell_angle_gamma 60.00000104 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
225
225
# generated using pymatgen data_Rb3NiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.06673538 _cell_length_b 9.06673538 _cell_length_c 9.06673538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,695
11,992
mp-9819
-2.756952
5.003
RbAsF6
0
['Rb', 'As', 'F']
# generated using pymatgen data_RbAsF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15481440 _cell_length_b 5.15481440 _cell_length_c 5.15481392 _cell_angle_alpha 97.21006972 _cell_angle_beta 97.21006972 _cell_angle_gamma 97.21007350 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_RbAsF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73396571 _cell_length_b 7.73396571 _cell_length_c 7.72698624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,696
21,159
mp-1216436
-0.253163
0
V6GaGe
0.001401
['Ga', 'Ge', 'V']
# generated using pymatgen data_V6GaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77793700 _cell_length_b 4.77793700 _cell_length_c 4.77793700 _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_V6GaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77793700 _cell_length_b 4.77793700 _cell_length_c 4.77793700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,697
28,827
mp-22006
-2.14773
1.8
VMoO5
0.015002
['Mo', 'O', 'V']
# generated using pymatgen data_VMoO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65461500 _cell_length_b 6.72052400 _cell_length_c 6.72052300 _cell_angle_alpha 90.00000853 _cell_angle_beta 89.99999147 _cell_angle_gamma 90.00002936 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
85
85
# generated using pymatgen data_VMoO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72052350 _cell_length_b 6.72052350 _cell_length_c 4.65461500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
22,698
13,253
mp-20257
-0.333904
0
AsPd3Pb2
0
['As', 'Pd', 'Pb']
# generated using pymatgen data_AsPd3Pb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99474232 _cell_length_b 6.99474232 _cell_length_c 5.90102800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.42259307 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
36
36
# generated using pymatgen data_AsPd3Pb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95001600 _cell_length_b 12.14096199 _cell_length_c 5.90102800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,699
9,420
mp-8613
-0.70805
0.2186
MnPS3
0
['Mn', 'P', 'S']
# generated using pymatgen data_MnPS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06739945 _cell_length_b 6.06742206 _cell_length_c 7.34592981 _cell_angle_alpha 97.81530306 _cell_angle_beta 97.81461866 _cell_angle_gamma 119.99367902 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_MnPS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06799044 _cell_length_b 10.50872900 _cell_length_c 7.34592981 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.77870227 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...