Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
-5.15
0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
0
0.08
elements
stringlengths
5
40
cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
1
229
cif.conv
stringlengths
696
5.07k
23,800
30,768
mp-1227795
-2.604181
1.2101
BaSr3(SnO3)4
0.021145
['Ba', 'O', 'Sn', 'Sr']
# generated using pymatgen data_BaSr3(SnO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37362900 _cell_length_b 5.79494100 _cell_length_c 5.80979860 _cell_angle_alpha 89.85896451 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
6
6
# generated using pymatgen data_BaSr3(SnO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79494100 _cell_length_b 8.37362900 _cell_length_c 5.80979860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.14103549 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,801
5,382
mp-561710
-1.005215
1.7336
CsSnS3
0
['Cs', 'S', 'Sn']
# generated using pymatgen data_CsSnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86085100 _cell_length_b 7.56113362 _cell_length_c 7.76603516 _cell_angle_alpha 98.82043784 _cell_angle_beta 114.44948829 _cell_angle_gamma 107.95584264 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_CsSnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86085100 _cell_length_b 7.56113362 _cell_length_c 7.76603516 _cell_angle_alpha 98.82043784 _cell_angle_beta 114.44948829 _cell_angle_gamma 107.95584264 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,802
23,866
mp-567404
-0.443494
0
YbIn4Pd
0.005651
['In', 'Pd', 'Yb']
# generated using pymatgen data_YbIn4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72488941 _cell_length_b 8.72488941 _cell_length_c 7.63680400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.17986039 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_YbIn4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48987400 _cell_length_b 16.86226000 _cell_length_c 7.63680400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,803
14,034
mp-1072082
-0.466352
0
YbFeSi
0
['Fe', 'Si', 'Yb']
# generated using pymatgen data_YbFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10586100 _cell_length_b 4.10586100 _cell_length_c 6.47445000 _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_YbFeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10586100 _cell_length_b 4.10586100 _cell_length_c 6.47445000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,804
45,121
mp-1291989
-2.571912
0.9853
LiV3O5F
0.079154
['F', 'Li', 'O', 'V']
# generated using pymatgen data_LiV3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09465288 _cell_length_b 8.98308523 _cell_length_c 5.51976980 _cell_angle_alpha 107.59282951 _cell_angle_beta 116.32862630 _cell_angle_gamma 90.35123911 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
1
1
# generated using pymatgen data_LiV3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09465288 _cell_length_b 5.51976980 _cell_length_c 9.01053559 _cell_angle_alpha 71.86476871 _cell_angle_beta 73.87062614 _cell_angle_gamma 63.67137370 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,805
11,978
mp-9529
-0.979021
0
DyGeRh
0
['Dy', 'Ge', 'Rh']
# generated using pymatgen data_DyGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34508100 _cell_length_b 6.96246400 _cell_length_c 7.55707300 _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_DyGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34508100 _cell_length_b 6.96246400 _cell_length_c 7.55707300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,806
26,114
mp-1188019
-0.550965
0
Zr2ReRh
0.010192
['Re', 'Rh', 'Zr']
# generated using pymatgen data_Zr2ReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68118124 _cell_length_b 4.68118124 _cell_length_c 4.68118124 _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_Zr2ReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62019000 _cell_length_b 6.62019000 _cell_length_c 6.62019000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,807
12,583
mp-11387
-0.385067
0
HfGa3
0
['Hf', 'Ga']
# generated using pymatgen data_HfGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31806082 _cell_length_b 5.31806082 _cell_length_c 5.31806082 _cell_angle_alpha 136.94656275 _cell_angle_beta 136.94656275 _cell_angle_gamma 62.52027980 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_HfGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90276600 _cell_length_b 3.90276600 _cell_length_c 9.09197001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
23,808
37,368
mp-568814
-0.807349
0
HoSnAu
0.043189
['Au', 'Ho', 'Sn']
# generated using pymatgen data_HoSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70036432 _cell_length_b 4.70036432 _cell_length_c 7.43229200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000450 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_HoSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70036432 _cell_length_b 4.70036432 _cell_length_c 7.43229200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,809
40,433
mp-758134
-2.226325
0.1627
Li2AgF5
0.055911
['Ag', 'F', 'Li']
# generated using pymatgen data_Li2AgF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59856528 _cell_length_b 5.59856528 _cell_length_c 9.76911500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 132.90929470 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Li2AgF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47297200 _cell_length_b 10.26490401 _cell_length_c 9.76911500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,810
13,359
mp-557434
-3.351065
2.3108
ZrMnTlF7
0
['F', 'Mn', 'Tl', 'Zr']
# generated using pymatgen data_ZrMnTlF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54774876 _cell_length_b 6.54774876 _cell_length_c 8.41330900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.58110830 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_ZrMnTlF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78566800 _cell_length_b 11.20030201 _cell_length_c 8.41330900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,811
24,355
mp-30607
-0.053053
0
ErMg2
0.006405
['Er', 'Mg']
# generated using pymatgen data_ErMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02060263 _cell_length_b 6.02060263 _cell_length_c 9.76755600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000687 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_ErMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02060263 _cell_length_b 6.02060263 _cell_length_c 9.76755600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,812
24,951
mp-867800
-1.393871
0
AcSe3
0.007318
['Ac', 'Se']
# generated using pymatgen data_AcSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25569990 _cell_length_b 6.25569990 _cell_length_c 6.11789000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999892 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_AcSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25569990 _cell_length_b 6.25569990 _cell_length_c 6.11789000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,813
16,246
mp-21199
-0.50308
0
Na3(GePt)4
0
['Na', 'Ge', 'Pt']
# generated using pymatgen data_Na3(GePt)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68903992 _cell_length_b 6.68903992 _cell_length_c 6.68903992 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
217
217
# generated using pymatgen data_Na3(GePt)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72383800 _cell_length_b 7.72383800 _cell_length_c 7.72383800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,814
37,121
mp-1183822
0.016083
0
Dy5Mg
0.042638
['Dy', 'Mg']
# generated using pymatgen data_Dy5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59788903 _cell_length_b 6.59788903 _cell_length_c 6.59788906 _cell_angle_alpha 55.38071277 _cell_angle_beta 55.38071277 _cell_angle_gamma 55.38071365 _symmetry_Int_Tables_number 1 _chemical_formula_structural D...
155
155
# generated using pymatgen data_Dy5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13198596 _cell_length_b 6.13198596 _cell_length_c 16.70285913 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,815
26,641
mp-1187834
-0.241784
0
Tm3In
0.010791
['In', 'Tm']
# generated using pymatgen data_Tm3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82963799 _cell_length_b 6.82963799 _cell_length_c 5.47671500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999994 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Tm3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82963799 _cell_length_b 6.82963799 _cell_length_c 5.47671500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,816
34,856
mp-553248
-3.195929
1.4846
CsLaNb2O7
0.033167
['Cs', 'La', 'Nb', 'O']
# generated using pymatgen data_CsLaNb2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95210500 _cell_length_b 3.95210500 _cell_length_c 11.50383300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
123
123
# generated using pymatgen data_CsLaNb2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95210500 _cell_length_b 3.95210500 _cell_length_c 11.50383300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,817
2,333
mp-31112
-3.580362
3.6111
Tb3GaO6
0
['Ga', 'O', 'Tb']
# generated using pymatgen data_Tb3GaO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18305751 _cell_length_b 7.18305751 _cell_length_c 5.47361000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.84006526 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_Tb3GaO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.95880000 _cell_length_b 11.23054600 _cell_length_c 5.47361000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,818
12,859
mp-570136
-0.343073
1.4615
CuI
0
['Cu', 'I']
# generated using pymatgen data_CuI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16776443 _cell_length_b 4.16776443 _cell_length_c 22.37240600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000686 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
156
156
# generated using pymatgen data_CuI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16776443 _cell_length_b 4.16776443 _cell_length_c 22.37240600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
23,819
31,261
mp-1225314
-0.558785
0
DyB4(IrRh)2
0.021795
['B', 'Dy', 'Ir', 'Rh']
# generated using pymatgen data_DyB4(IrRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38017200 _cell_length_b 5.38017200 _cell_length_c 7.47309900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
105
105
# generated using pymatgen data_DyB4(IrRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38017200 _cell_length_b 5.38017200 _cell_length_c 7.47309900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,820
44,041
mp-1079659
-0.455188
0
Ta(BMo)2
0.075419
['B', 'Mo', 'Ta']
# generated using pymatgen data_Ta(BMo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12653300 _cell_length_b 6.12653300 _cell_length_c 3.19233200 _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_Ta(BMo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12653300 _cell_length_b 6.12653300 _cell_length_c 3.19233200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,821
11,605
mp-1184796
-1.409404
8.0745
H3F2
0
['F', 'H']
# generated using pymatgen data_H3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40152621 _cell_length_b 4.36049126 _cell_length_c 6.80021950 _cell_angle_alpha 118.66849261 _cell_angle_beta 66.18392803 _cell_angle_gamma 129.06452429 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_H3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30162843 _cell_length_b 4.36049126 _cell_length_c 6.06679643 _cell_angle_alpha 79.57144515 _cell_angle_beta 79.45146514 _cell_angle_gamma 77.15278814 _symmetry_Int_Tables_number 1 _chemical_formula_structural H3...
23,822
1,940
mp-864938
-0.038831
0
Mg3Tl
0
['Mg', 'Tl']
# generated using pymatgen data_Mg3Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41437278 _cell_length_b 6.41437278 _cell_length_c 5.25598400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000803 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Mg3Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41437278 _cell_length_b 6.41437278 _cell_length_c 5.25598400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,823
5,859
mp-545482
-1.032894
1.0809
PdSeO3
0
['Pd', 'Se', 'O']
# generated using pymatgen data_PdSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56547600 _cell_length_b 4.03054100 _cell_length_c 6.26215924 _cell_angle_alpha 84.08991158 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_PdSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03054100 _cell_length_b 6.56547600 _cell_length_c 6.26215924 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.91008842 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,824
30,649
mp-1206450
-0.463342
0
Lu2NiGe6
0.021187
['Ge', 'Lu', 'Ni']
# generated using pymatgen data_Lu2NiGe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00239400 _cell_length_b 3.98273800 _cell_length_c 10.76081990 _cell_angle_alpha 100.66447705 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
38
38
# generated using pymatgen data_Lu2NiGe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98273800 _cell_length_b 21.14991200 _cell_length_c 4.00239400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,825
24,369
mp-42022
-3.362755
4.9184
Cs2RbZrOF5
0.006475
['Cs', 'Rb', 'Zr', 'O', 'F']
# generated using pymatgen data_Cs2RbZrOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83558218 _cell_length_b 6.83558218 _cell_length_c 6.83558218 _cell_angle_alpha 120.22766893 _cell_angle_beta 120.22766893 _cell_angle_gamma 89.60611611 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
107
107
# generated using pymatgen data_Cs2RbZrOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81204600 _cell_length_b 6.81204600 _cell_length_c 9.70014400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,826
18,691
mp-1246788
-1.166479
0
Mg2NbN3
0
['Mg', 'N', 'Nb']
# generated using pymatgen data_Mg2NbN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70429889 _cell_length_b 5.70430022 _cell_length_c 5.75027383 _cell_angle_alpha 66.93695418 _cell_angle_beta 66.93695336 _cell_angle_gamma 65.92510682 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Mg2NbN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.57211523 _cell_length_b 6.20731372 _cell_length_c 5.75027383 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.83344013 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,827
30,716
mp-1222716
-1.47571
0
Li(TaS2)2
0.020889
['Li', 'S', 'Ta']
# generated using pymatgen data_Li(TaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35968427 _cell_length_b 3.35968427 _cell_length_c 12.89346300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000524 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
164
164
# generated using pymatgen data_Li(TaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35968427 _cell_length_b 3.35968427 _cell_length_c 12.89346300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,828
30,415
mp-755117
-2.259271
0
Ba2IrO4
0.019474
['Ba', 'Ir', 'O']
# generated using pymatgen data_Ba2IrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33181762 _cell_length_b 7.33181762 _cell_length_c 7.33181762 _cell_angle_alpha 147.82801894 _cell_angle_beta 147.82801894 _cell_angle_gamma 46.13930968 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Ba2IrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06299600 _cell_length_b 4.06299600 _cell_length_c 13.49097200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,829
21,877
mp-568598
-0.443802
0.3983
Cu2HgI4
0.001812
['Cu', 'Hg', 'I']
# generated using pymatgen data_Cu2HgI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15228700 _cell_length_b 6.15228700 _cell_length_c 6.43982200 _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_Cu2HgI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15228700 _cell_length_b 6.15228700 _cell_length_c 6.43982200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,830
28,004
mp-1018105
-0.177591
0
Zr2Zn
0.01387
['Zn', 'Zr']
# generated using pymatgen data_Zr2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13570289 _cell_length_b 6.13570289 _cell_length_c 6.13570289 _cell_angle_alpha 148.75627448 _cell_angle_beta 148.75627448 _cell_angle_gamma 44.77018156 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Zr2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30453400 _cell_length_b 3.30453400 _cell_length_c 11.34669599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,831
10,699
mp-13931
-3.032966
0
Ba2TbReO6
0
['Ba', 'O', 'Re', 'Tb']
# generated using pymatgen data_Ba2TbReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00495726 _cell_length_b 6.00495726 _cell_length_c 6.00495726 _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_Ba2TbReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49229200 _cell_length_b 8.49229200 _cell_length_c 8.49229200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,832
37,850
mp-554858
-2.92859
0
Cs2NaMnF6
0.04406
['Cs', 'F', 'Mn', 'Na']
# generated using pymatgen data_Cs2NaMnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04863772 _cell_length_b 11.04863772 _cell_length_c 11.04863734 _cell_angle_alpha 33.53787469 _cell_angle_beta 33.53787469 _cell_angle_gamma 33.53787653 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
166
166
# generated using pymatgen data_Cs2NaMnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37534577 _cell_length_b 6.37534577 _cell_length_c 31.25246287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,833
36,224
mp-1222557
-0.428856
0
Lu4CoSn8
0.038566
['Co', 'Lu', 'Sn']
# generated using pymatgen data_Lu4CoSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35541000 _cell_length_b 4.39724500 _cell_length_c 16.66052300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25
25
# generated using pymatgen data_Lu4CoSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35541000 _cell_length_b 4.39724500 _cell_length_c 16.66052300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,834
37,691
mp-1217361
-0.538873
0
Ti2FeB2Ru2Rh3
0.045279
['B', 'Fe', 'Rh', 'Ru', 'Ti']
# generated using pymatgen data_Ti2FeB2Ru2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00172600 _cell_length_b 9.11377700 _cell_length_c 9.20165000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
55
55
# generated using pymatgen data_Ti2FeB2Ru2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00172600 _cell_length_b 9.11377700 _cell_length_c 9.20165000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,835
39,997
mvc-7383
-1.585691
2.4233
ZnCr2O7
0.052586
['Cr', 'O', 'Zn']
# generated using pymatgen data_ZnCr2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09177900 _cell_length_b 6.19673300 _cell_length_c 7.62052649 _cell_angle_alpha 71.53807975 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_ZnCr2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19673300 _cell_length_b 7.09177900 _cell_length_c 7.62052649 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.46192025 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,836
41,529
mp-1094016
-0.511543
0
YbMnSb2
0.062337
['Mn', 'Sb', 'Yb']
# generated using pymatgen data_YbMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.65110278 _cell_length_b 10.65110278 _cell_length_c 10.65110278 _cell_angle_alpha 156.16399005 _cell_angle_beta 156.16399005 _cell_angle_gamma 33.96164480 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
139
139
# generated using pymatgen data_YbMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39915400 _cell_length_b 4.39915400 _cell_length_c 20.37348399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,837
43,391
mp-756106
-3.554926
0.1785
TbCeO4
0.06913
['Ce', 'O', 'Tb']
# generated using pymatgen data_TbCeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60429200 _cell_length_b 3.81278800 _cell_length_c 7.63686918 _cell_angle_alpha 85.45137356 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_TbCeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81278800 _cell_length_b 5.60429200 _cell_length_c 7.63686918 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.54862644 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,838
42,577
mp-1112436
-2.114303
2.4608
Rb2NdCuCl6
0.066013
['Cl', 'Cu', 'Nd', 'Rb']
# generated using pymatgen data_Rb2NdCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48607161 _cell_length_b 7.48607161 _cell_length_c 7.48607161 _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_Rb2NdCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.58690400 _cell_length_b 10.58690400 _cell_length_c 10.58690400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,839
26,671
mp-1212511
-0.328266
0
Ge3(SbTe3)2
0.011311
['Ge', 'Sb', 'Te']
# generated using pymatgen data_Ge3(SbTe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 21.78283567 _cell_length_b 21.78283567 _cell_length_c 21.78283554 _cell_angle_alpha 11.22186212 _cell_angle_beta 11.22186212 _cell_angle_gamma 11.22186111 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
160
160
# generated using pymatgen data_Ge3(SbTe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25953619 _cell_length_b 4.25953619 _cell_length_c 64.93070463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,840
44,518
mp-1027440
-1.039221
0.5949
MoW(SeS)2
0.076756
['Mo', 'S', 'Se', 'W']
# generated using pymatgen data_MoW(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25389548 _cell_length_b 3.25389548 _cell_length_c 36.89824600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998948 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
156
156
# generated using pymatgen data_MoW(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25389548 _cell_length_b 3.25389548 _cell_length_c 36.89824600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,841
25,566
mp-1105890
-1.105838
1.0653
Lu3Tl2Cu5Se8
0.009501
['Cu', 'Lu', 'Se', 'Tl']
# generated using pymatgen data_Lu3Tl2Cu5Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44285986 _cell_length_b 7.44285986 _cell_length_c 14.69692519 _cell_angle_alpha 70.24154046 _cell_angle_beta 70.24154046 _cell_angle_gamma 31.69309133 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
8
8
# generated using pymatgen data_Lu3Tl2Cu5Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.32001001 _cell_length_b 4.06472200 _cell_length_c 14.69692519 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.57361259 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
23,842
11,979
mp-954
-0.409972
0.0623
BaB6
0
['B', 'Ba']
# generated using pymatgen data_BaB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28012600 _cell_length_b 4.28012600 _cell_length_c 4.28012600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba...
221
221
# generated using pymatgen data_BaB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28012600 _cell_length_b 4.28012600 _cell_length_c 4.28012600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba...
23,843
36,453
mp-8412
-3.090354
0
LiCeO2
0.038868
['Ce', 'Li', 'O']
# generated using pymatgen data_LiCeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07216300 _cell_length_b 5.81744600 _cell_length_c 5.88969497 _cell_angle_alpha 75.93801289 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_LiCeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81744600 _cell_length_b 6.07216300 _cell_length_c 5.88969497 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.06198711 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,844
33,663
mp-1209957
-0.758297
1.0443
NaTlSe2
0.029554
['Na', 'Se', 'Tl']
# generated using pymatgen data_NaTlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58416600 _cell_length_b 6.58416600 _cell_length_c 6.58416600 _cell_angle_alpha 106.65493423 _cell_angle_beta 106.65493423 _cell_angle_gamma 115.26375631 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140
140
# generated using pymatgen data_NaTlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86466400 _cell_length_b 7.86466400 _cell_length_c 7.04975800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,845
9,850
mp-4835
-0.592153
0
LaCuSi
0
['La', 'Cu', 'Si']
# generated using pymatgen data_LaCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25795011 _cell_length_b 4.25795011 _cell_length_c 8.19737700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000178 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_LaCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25795011 _cell_length_b 4.25795011 _cell_length_c 8.19737700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,846
36,242
mp-1224062
-0.653375
0
Ho2Ge4Pd
0.038566
['Ge', 'Ho', 'Pd']
# generated using pymatgen data_Ho2Ge4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08732900 _cell_length_b 4.12164400 _cell_length_c 8.66460055 _cell_angle_alpha 76.24068218 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_Ho2Ge4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12164400 _cell_length_b 16.83191200 _cell_length_c 4.08732900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,847
5,913
mp-7596
-1.976559
1.6033
NbNO
0
['Nb', 'N', 'O']
# generated using pymatgen data_NbNO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09554100 _cell_length_b 5.04639300 _cell_length_c 5.26526437 _cell_angle_alpha 80.16381030 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb...
14
14
# generated using pymatgen data_NbNO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04639300 _cell_length_b 5.09554100 _cell_length_c 5.26526437 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.83618970 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb...
23,848
5,353
mp-3895
-1.117908
0
Ho(SiRh)2
0
['Ho', 'Si', 'Rh']
# generated using pymatgen data_Ho(SiRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75351516 _cell_length_b 5.75351516 _cell_length_c 5.75351516 _cell_angle_alpha 138.66403468 _cell_angle_beta 138.66403468 _cell_angle_gamma 59.88750559 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ho(SiRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06143000 _cell_length_b 4.06143000 _cell_length_c 9.97102400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,849
34,745
mp-1224952
-0.574021
0.0948
Ga2CuAg(TeSe)2
0.033423
['Ag', 'Cu', 'Ga', 'Se', 'Te']
# generated using pymatgen data_Ga2CuAg(TeSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27427263 _cell_length_b 7.27427263 _cell_length_c 6.03968418 _cell_angle_alpha 65.59244592 _cell_angle_beta 65.59244592 _cell_angle_gamma 107.90994023 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
5
5
# generated using pymatgen data_Ga2CuAg(TeSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56066800 _cell_length_b 11.76329599 _cell_length_c 6.03968418 _cell_angle_alpha 90.00000000 _cell_angle_beta 134.60861166 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
23,850
44,486
mvc-13239
-3.613192
4.3462
TiF4
0.074893
['Ti', 'F']
# generated using pymatgen data_TiF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17257100 _cell_length_b 5.47301399 _cell_length_c 5.73350637 _cell_angle_alpha 110.49580899 _cell_angle_beta 107.00781624 _cell_angle_gamma 92.41277230 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_TiF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17257100 _cell_length_b 5.47301399 _cell_length_c 5.73350637 _cell_angle_alpha 110.49580899 _cell_angle_beta 107.00781624 _cell_angle_gamma 92.41277230 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,851
15,925
mp-757021
-3.042783
3.1151
KGdO2
0
['Gd', 'K', 'O']
# generated using pymatgen data_KGdO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60543800 _cell_length_b 6.60543800 _cell_length_c 6.60543813 _cell_angle_alpha 31.11063706 _cell_angle_beta 31.11063706 _cell_angle_gamma 31.11063273 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
166
166
# generated using pymatgen data_KGdO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54274226 _cell_length_b 3.54274226 _cell_length_c 18.84232564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,852
21,207
mp-1222733
-0.343175
0
LaZn4Ni
0.001105
['La', 'Ni', 'Zn']
# generated using pymatgen data_LaZn4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30802792 _cell_length_b 5.30802792 _cell_length_c 4.28612600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999901 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_LaZn4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30802792 _cell_length_b 5.30802792 _cell_length_c 4.28612600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,853
14,025
mp-10635
-0.083906
0
SnSb
0
['Sn', 'Sb']
# generated using pymatgen data_SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37302128 _cell_length_b 4.37302128 _cell_length_c 4.37302128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
225
225
# generated using pymatgen data_SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18438600 _cell_length_b 6.18438600 _cell_length_c 6.18438600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
23,854
5,628
mp-1188096
-0.740336
0
Tm5Ge3C
0
['C', 'Ge', 'Tm']
# generated using pymatgen data_Tm5Ge3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42019100 _cell_length_b 8.42019048 _cell_length_c 6.30421800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999811 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Tm5Ge3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42019074 _cell_length_b 8.42019074 _cell_length_c 6.30421800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,855
10,517
mp-1027
-0.746388
0
HfRh3
0
['Hf', 'Rh']
# generated using pymatgen data_HfRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95228500 _cell_length_b 3.95228500 _cell_length_c 3.95228500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
221
221
# generated using pymatgen data_HfRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95228500 _cell_length_b 3.95228500 _cell_length_c 3.95228500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
23,856
34,779
mp-1246975
-0.72518
0
CdSiN2
0.032917
['Cd', 'N', 'Si']
# generated using pymatgen data_CdSiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43329000 _cell_length_b 6.76602900 _cell_length_c 5.30269800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
33
33
# generated using pymatgen data_CdSiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30269800 _cell_length_b 5.43329000 _cell_length_c 6.76602900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,857
4,964
mp-865870
-0.317373
0
LiZr2Os
0
['Li', 'Zr', 'Os']
# generated using pymatgen data_LiZr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67203128 _cell_length_b 4.67203128 _cell_length_c 4.67203128 _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_LiZr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60725000 _cell_length_b 6.60725000 _cell_length_c 6.60725000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,858
267
mp-865
-0.407807
0.1835
CaB6
0
['Ca', 'B']
# generated using pymatgen data_CaB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15009400 _cell_length_b 4.15009400 _cell_length_c 4.15009400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...
221
221
# generated using pymatgen data_CaB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15009400 _cell_length_b 4.15009400 _cell_length_c 4.15009400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...
23,859
5,036
mp-1079402
-0.909473
0
CeSi2Ir
0
['Ce', 'Ir', 'Si']
# generated using pymatgen data_CeSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67401624 _cell_length_b 8.67401624 _cell_length_c 4.18645800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.91717659 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_CeSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20903400 _cell_length_b 16.82968400 _cell_length_c 4.18645800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,860
22,548
mp-1105637
-0.864606
0.0236
Eu3(GaAs2)2
0.003434
['As', 'Eu', 'Ga']
# generated using pymatgen data_Eu3(GaAs2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50432324 _cell_length_b 8.50432324 _cell_length_c 6.77468385 _cell_angle_alpha 89.08465340 _cell_angle_beta 89.08465340 _cell_angle_gamma 76.18713228 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
15
15
# generated using pymatgen data_Eu3(GaAs2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.38587801 _cell_length_b 10.49344200 _cell_length_c 6.77468385 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.16310740 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,861
28,632
mp-1187435
-0.550544
0
ThZnAu2
0.014966
['Au', 'Th', 'Zn']
# generated using pymatgen data_ThZnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98489209 _cell_length_b 4.98489209 _cell_length_c 4.98489209 _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_ThZnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04970200 _cell_length_b 7.04970200 _cell_length_c 7.04970200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,862
44,493
mvc-3525
-2.726219
1.1611
VZnF4
0.07525
['V', 'Zn', 'F']
# generated using pymatgen data_VZnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20146200 _cell_length_b 5.68482759 _cell_length_c 5.87162565 _cell_angle_alpha 109.58808508 _cell_angle_beta 104.30881412 _cell_angle_gamma 89.77054727 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_VZnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20146200 _cell_length_b 5.68482759 _cell_length_c 5.87162565 _cell_angle_alpha 109.58808508 _cell_angle_beta 104.30881412 _cell_angle_gamma 89.77054727 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,863
35,721
mp-1219600
-3.483022
0
RbLa2Ti3O9
0.036019
['La', 'O', 'Rb', 'Ti']
# generated using pymatgen data_RbLa2Ti3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62593420 _cell_length_b 5.62593420 _cell_length_c 6.83441600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000240 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
164
164
# generated using pymatgen data_RbLa2Ti3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62593420 _cell_length_b 5.62593420 _cell_length_c 6.83441600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,864
23,043
mp-1103850
-1.649463
0.2759
Eu2GeS4
0.00419
['Eu', 'Ge', 'S']
# generated using pymatgen data_Eu2GeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85946300 _cell_length_b 6.70527000 _cell_length_c 8.04824813 _cell_angle_alpha 72.23450784 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_Eu2GeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70527000 _cell_length_b 6.85946300 _cell_length_c 8.04824813 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.76549216 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,865
7,470
mp-866075
-0.555456
0
MgTaIr2
0
['Mg', 'Ta', 'Ir']
# generated using pymatgen data_MgTaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47479657 _cell_length_b 4.47479657 _cell_length_c 4.47479657 _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_MgTaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32831800 _cell_length_b 6.32831800 _cell_length_c 6.32831800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,866
14,975
mp-9249
-0.305273
0
NaGeAu
0
['Au', 'Ge', 'Na']
# generated using pymatgen data_NaGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75975862 _cell_length_b 5.75975862 _cell_length_c 5.75975862 _cell_angle_alpha 133.87593209 _cell_angle_beta 100.44086659 _cell_angle_gamma 97.22004235 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_NaGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51251200 _cell_length_b 7.37059800 _cell_length_c 7.61648200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,867
14,987
mp-978854
-0.476839
0
Sr(GaH)2
0
['Ga', 'H', 'Sr']
# generated using pymatgen data_Sr(GaH)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41511856 _cell_length_b 4.41511856 _cell_length_c 4.68396300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000845 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Sr(GaH)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41511856 _cell_length_b 4.41511856 _cell_length_c 4.68396300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,868
5,088
mp-1112112
-1.426309
1.2309
Cs2TlAsBr6
0
['As', 'Br', 'Cs', 'Tl']
# generated using pymatgen data_Cs2TlAsBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24206917 _cell_length_b 8.24206917 _cell_length_c 8.24206917 _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_Cs2TlAsBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.65604600 _cell_length_b 11.65604600 _cell_length_c 11.65604600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,869
12,343
mp-542187
-2.733501
0
Sr2MnClO3
0
['Cl', 'Mn', 'O', 'Sr']
# generated using pymatgen data_Sr2MnClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92126101 _cell_length_b 3.92114101 _cell_length_c 14.87809600 _cell_angle_alpha 90.00003002 _cell_angle_beta 89.99996998 _cell_angle_gamma 90.00917621 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
129
129
# generated using pymatgen data_Sr2MnClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92120101 _cell_length_b 3.92120101 _cell_length_c 14.87809600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,870
34,466
mp-867368
-0.428092
0
Eu3Sn
0.031457
['Eu', 'Sn']
# generated using pymatgen data_Eu3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45646019 _cell_length_b 7.45646019 _cell_length_c 5.89930800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000167 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Eu3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45646019 _cell_length_b 7.45646019 _cell_length_c 5.89930800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,871
37,330
mp-20899
-0.458209
0
UGa3Pd2
0.041531
['Ga', 'Pd', 'U']
# generated using pymatgen data_UGa3Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33552732 _cell_length_b 5.33552732 _cell_length_c 4.30772700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999151 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_UGa3Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33552732 _cell_length_b 5.33552732 _cell_length_c 4.30772700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,872
38,779
mp-1294490
-2.185867
1.1355
V2FeO4
0.047818
['Fe', 'O', 'V']
# generated using pymatgen data_V2FeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05866748 _cell_length_b 6.06937194 _cell_length_c 6.10502215 _cell_angle_alpha 59.69746597 _cell_angle_beta 60.39335629 _cell_angle_gamma 60.14976007 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_V2FeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57217122 _cell_length_b 8.56539004 _cell_length_c 6.06937194 _cell_angle_alpha 90.00000000 _cell_angle_beta 134.46516076 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,873
35,520
mp-1065753
-0.076831
0
MnGaFe2
0.03753
['Fe', 'Ga', 'Mn']
# generated using pymatgen data_MnGaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59892500 _cell_length_b 3.59892500 _cell_length_c 3.82385900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
123
123
# generated using pymatgen data_MnGaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59892500 _cell_length_b 3.59892500 _cell_length_c 3.82385900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,874
34,495
mvc-5090
-3.082049
0.4078
Ca2TiWO6
0.031855
['Ca', 'O', 'Ti', 'W']
# generated using pymatgen data_Ca2TiWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60444800 _cell_length_b 5.48927400 _cell_length_c 9.56183359 _cell_angle_alpha 55.16049899 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_Ca2TiWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48927400 _cell_length_b 5.60444800 _cell_length_c 9.56183359 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.83950101 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,875
15,182
mp-1220188
-0.608426
0
NdGa3Ni
0
['Ga', 'Nd', 'Ni']
# generated using pymatgen data_NdGa3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25116167 _cell_length_b 4.25116167 _cell_length_c 5.90914585 _cell_angle_alpha 68.89964720 _cell_angle_beta 68.89964720 _cell_angle_gamma 89.95345472 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
107
107
# generated using pymatgen data_NdGa3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25116167 _cell_length_b 4.25116167 _cell_length_c 10.17339200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,876
38,124
mp-1185883
-0.061179
0
MgHg3
0.046463
['Hg', 'Mg']
# generated using pymatgen data_MgHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24956200 _cell_length_b 6.36903922 _cell_length_c 5.45753800 _cell_angle_alpha 64.63124303 _cell_angle_beta 90.00000000 _cell_angle_gamma 75.22013487 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
44
44
# generated using pymatgen data_MgHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24956200 _cell_length_b 5.45753800 _cell_length_c 11.04148200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,877
6,562
mp-1102982
-0.58728
0
LaGaNi
0
['Ga', 'La', 'Ni']
# generated using pymatgen data_LaGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08252700 _cell_length_b 6.42555400 _cell_length_c 7.78361677 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.93209112 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_LaGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08252700 _cell_length_b 6.42555400 _cell_length_c 7.78361677 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.93209112 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,878
4,855
mp-3826
-0.881711
0
Ce(SiPd)2
0
['Ce', 'Pd', 'Si']
# generated using pymatgen data_Ce(SiPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84183964 _cell_length_b 5.84183964 _cell_length_c 5.84183964 _cell_angle_alpha 137.86211547 _cell_angle_beta 137.86211547 _cell_angle_gamma 61.11424082 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ce(SiPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20017800 _cell_length_b 4.20017800 _cell_length_c 10.06108200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,879
31,333
mp-22103
-3.037462
1.0006
DyMnO3
0.022303
['Dy', 'Mn', 'O']
# generated using pymatgen data_DyMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33032200 _cell_length_b 5.86787900 _cell_length_c 7.49917400 _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_DyMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33032200 _cell_length_b 5.86787900 _cell_length_c 7.49917400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,880
15,406
mp-711
-0.322308
0
CeGa6
0
['Ce', 'Ga']
# generated using pymatgen data_CeGa6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01463700 _cell_length_b 6.01463700 _cell_length_c 7.72565800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
125
125
# generated using pymatgen data_CeGa6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01463700 _cell_length_b 6.01463700 _cell_length_c 7.72565800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
23,881
15,450
mp-865805
-0.231839
0
TaZnCo2
0
['Ta', 'Zn', 'Co']
# generated using pymatgen data_TaZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18935453 _cell_length_b 4.18935453 _cell_length_c 4.18935453 _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_TaZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92464199 _cell_length_b 5.92464199 _cell_length_c 5.92464199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,882
35,861
mp-559500
-2.007518
3.2103
Na3VSO3
0.036981
['Na', 'O', 'S', 'V']
# generated using pymatgen data_Na3VSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48428442 _cell_length_b 6.48428442 _cell_length_c 6.48428519 _cell_angle_alpha 83.84708749 _cell_angle_beta 83.84708749 _cell_angle_gamma 83.84708543 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
161
161
# generated using pymatgen data_Na3VSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66479834 _cell_length_b 8.66479834 _cell_length_c 12.37648307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,883
33,853
mp-33009
-1.776004
0.4575
MnO2
0.029826
['Mn', 'O']
# generated using pymatgen data_MnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48773900 _cell_length_b 5.31059865 _cell_length_c 5.30741399 _cell_angle_alpha 66.94753909 _cell_angle_beta 90.00110782 _cell_angle_gamma 90.00105766 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn...
58
58
# generated using pymatgen data_MnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92821017 _cell_length_b 4.42844621 _cell_length_c 4.48773900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn...
23,884
32,393
mp-571390
-2.195232
5.1317
Cs2LiCl3
0.024859
['Cl', 'Cs', 'Li']
# generated using pymatgen data_Cs2LiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.92362557 _cell_length_b 11.92362557 _cell_length_c 7.88965500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.35180019 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
63
63
# generated using pymatgen data_Cs2LiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27381000 _cell_length_b 23.46115801 _cell_length_c 7.88965500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,885
11,933
mp-7979
-2.388103
2.0949
K2PdF6
0
['K', 'Pd', 'F']
# generated using pymatgen data_K2PdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91239005 _cell_length_b 5.91239005 _cell_length_c 4.85594800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000061 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_K2PdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91239005 _cell_length_b 5.91239005 _cell_length_c 4.85594800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,886
35,150
mp-1205537
-2.545134
0.2794
Rb3RuF6
0.034763
['F', 'Rb', 'Ru']
# generated using pymatgen data_Rb3RuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24850613 _cell_length_b 6.93192663 _cell_length_c 7.24826077 _cell_angle_alpha 79.80155498 _cell_angle_beta 102.85469780 _cell_angle_gamma 124.62377526 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_Rb3RuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93192663 _cell_length_b 7.14940709 _cell_length_c 7.24826077 _cell_angle_alpha 94.87658177 _cell_angle_beta 100.19844502 _cell_angle_gamma 108.30326772 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,887
39,918
mp-755473
-2.381512
1.411
Li3VCr3O8
0.052194
['Cr', 'Li', 'O', 'V']
# generated using pymatgen data_Li3VCr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93850538 _cell_length_b 5.93850538 _cell_length_c 5.94832170 _cell_angle_alpha 60.37731781 _cell_angle_beta 60.37731781 _cell_angle_gamma 59.16863471 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Li3VCr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32860600 _cell_length_b 5.86372600 _cell_length_c 5.94832170 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.63779086 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,888
17,297
mp-2643
-0.125828
0
Ti3Cu4
0
['Ti', 'Cu']
# generated using pymatgen data_Ti3Cu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17768679 _cell_length_b 10.17768679 _cell_length_c 10.17768679 _cell_angle_alpha 162.25693210 _cell_angle_beta 162.25693210 _cell_angle_gamma 25.19484523 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ti3Cu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13919600 _cell_length_b 3.13919600 _cell_length_c 19.86535000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,889
17,709
mp-1225951
-3.256864
4.5677
CsMgInF6
0
['Cs', 'F', 'In', 'Mg']
# generated using pymatgen data_CsMgInF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65087436 _cell_length_b 7.65087436 _cell_length_c 7.65087436 _cell_angle_alpha 121.15354197 _cell_angle_beta 118.36916265 _cell_angle_gamma 90.43064072 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
74
74
# generated using pymatgen data_CsMgInF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51709000 _cell_length_b 7.83868800 _cell_length_c 10.77923199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,890
20,206
mp-13994
-1.494367
0
Ti3NiS6
0.000153
['Ni', 'S', 'Ti']
# generated using pymatgen data_Ti3NiS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86780098 _cell_length_b 5.86780098 _cell_length_c 11.35800800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001109 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
163
163
# generated using pymatgen data_Ti3NiS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86780098 _cell_length_b 5.86780098 _cell_length_c 11.35800800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,891
9,164
mp-1218913
-2.022934
0
SmYSe2
0
['Se', 'Sm', 'Y']
# generated using pymatgen data_SmYSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24123093 _cell_length_b 7.24123093 _cell_length_c 7.24123072 _cell_angle_alpha 32.88894197 _cell_angle_beta 32.88894197 _cell_angle_gamma 32.88894539 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_SmYSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09978176 _cell_length_b 4.09978176 _cell_length_c 20.53032366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,892
3,914
mp-7759
-0.443173
0
BaSn3
0
['Ba', 'Sn']
# generated using pymatgen data_BaSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32535566 _cell_length_b 7.32535566 _cell_length_c 5.66709200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999697 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_BaSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32535566 _cell_length_b 7.32535566 _cell_length_c 5.66709200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,893
39,917
mp-755381
-2.063724
0
V3CuO8
0.053665
['Cu', 'O', 'V']
# generated using pymatgen data_V3CuO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24297728 _cell_length_b 6.24297686 _cell_length_c 6.71806738 _cell_angle_alpha 74.29529006 _cell_angle_beta 105.70470724 _cell_angle_gamma 145.02749757 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_V3CuO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.90896673 _cell_length_b 3.75174124 _cell_length_c 6.71806738 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.48676995 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,894
29,508
mp-1018656
-1.105302
1.5886
Ca2H3Br
0.018239
['Ca', 'H', 'Br']
# generated using pymatgen data_Ca2H3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90359934 _cell_length_b 3.90359934 _cell_length_c 6.92728000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998875 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Ca2H3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90359934 _cell_length_b 3.90359934 _cell_length_c 6.92728000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,895
33,653
mp-1206617
-0.93001
0
Er7(TeIr)2
0.029202
['Er', 'Ir', 'Te']
# generated using pymatgen data_Er7(TeIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34488111 _cell_length_b 9.34488111 _cell_length_c 9.34488111 _cell_angle_alpha 155.76505364 _cell_angle_beta 119.35664395 _cell_angle_gamma 66.28958077 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
44
44
# generated using pymatgen data_Er7(TeIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92329400 _cell_length_b 9.43560600 _cell_length_c 15.64878000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,896
16,717
mp-1226818
-0.510336
0
Ce2ZnBi4
0
['Bi', 'Ce', 'Zn']
# generated using pymatgen data_Ce2ZnBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62554300 _cell_length_b 4.62554300 _cell_length_c 9.83913800 _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_Ce2ZnBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62554300 _cell_length_b 4.62554300 _cell_length_c 9.83913800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,897
39,382
mp-676932
-2.529818
0
SrLiEuTeO6
0.051478
['Eu', 'Li', 'O', 'Sr', 'Te']
# generated using pymatgen data_SrLiEuTeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80837600 _cell_length_b 5.65758200 _cell_length_c 9.64954510 _cell_angle_alpha 54.55878049 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
7
7
# generated using pymatgen data_SrLiEuTeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65758200 _cell_length_b 5.80837600 _cell_length_c 9.64954510 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.44121951 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,898
2,898
mp-672325
-0.426091
0
TbIn2Ni
0
['In', 'Ni', 'Tb']
# generated using pymatgen data_TbIn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66042448 _cell_length_b 5.66042448 _cell_length_c 7.43748100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.89683223 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_TbIn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34171600 _cell_length_b 10.45519600 _cell_length_c 7.43748100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,899
20,764
mp-15809
-0.370908
0
Cr2B
0.000898
['Cr', 'B']
# generated using pymatgen data_Cr2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21783093 _cell_length_b 4.21783093 _cell_length_c 4.21783093 _cell_angle_alpha 104.93378232 _cell_angle_beta 104.93378232 _cell_angle_gamma 118.98593660 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_Cr2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13917200 _cell_length_b 5.13917200 _cell_length_c 4.28231400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr...