Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
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0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
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0.08
elements
stringlengths
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cif
stringlengths
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1.73k
spacegroup.number
int64
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229
spacegroup.number.conv
int64
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cif.conv
stringlengths
696
5.07k
23,100
9,021
mp-1068167
-0.529276
0
Sr2Ge2Pb
0
['Ge', 'Pb', 'Sr']
# generated using pymatgen data_Sr2Ge2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98724452 _cell_length_b 7.98724452 _cell_length_c 4.55367400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.11342220 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_Sr2Ge2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25375800 _cell_length_b 15.39772201 _cell_length_c 4.55367400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,101
14,103
mp-11790
-1.571328
0.8712
LaCuSe2
0
['La', 'Cu', 'Se']
# generated using pymatgen data_LaCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61052300 _cell_length_b 6.84824100 _cell_length_c 7.26759086 _cell_angle_alpha 82.92654999 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_LaCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84824100 _cell_length_b 7.61052300 _cell_length_c 7.26759086 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.07345001 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,102
13,947
mp-865597
-0.613198
0
NdPbAu2
0
['Nd', 'Pb', 'Au']
# generated using pymatgen data_NdPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15960403 _cell_length_b 5.15960403 _cell_length_c 5.15960403 _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_NdPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29678200 _cell_length_b 7.29678200 _cell_length_c 7.29678200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,103
6,977
mp-976726
-3.291611
4.574
LiDyO2
0
['Dy', 'Li', 'O']
# generated using pymatgen data_LiDyO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39089900 _cell_length_b 5.32724900 _cell_length_c 11.25435400 _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_LiDyO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39089900 _cell_length_b 5.32724900 _cell_length_c 11.25435400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,104
17,314
mp-3038
-0.959561
1.4322
Al2HgSe4
0
['Al', 'Hg', 'Se']
# generated using pymatgen data_Al2HgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86469496 _cell_length_b 6.86469496 _cell_length_c 6.86469496 _cell_angle_alpha 129.27737552 _cell_angle_beta 129.27737552 _cell_angle_gamma 74.56467243 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
82
82
# generated using pymatgen data_Al2HgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88064200 _cell_length_b 5.88064200 _cell_length_c 10.92393001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,105
22,637
mp-1208721
-0.392054
0
Sr4CaSi3
0.003667
['Ca', 'Si', 'Sr']
# generated using pymatgen data_Sr4CaSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.76323461 _cell_length_b 9.76323461 _cell_length_c 9.76323461 _cell_angle_alpha 132.03720804 _cell_angle_beta 132.03720804 _cell_angle_gamma 70.17026719 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140
140
# generated using pymatgen data_Sr4CaSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93633800 _cell_length_b 7.93633800 _cell_length_c 15.97848799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,106
19,949
mp-866107
-0.628344
0
Ac2IrPd
0
['Ac', 'Ir', 'Pd']
# generated using pymatgen data_Ac2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31378867 _cell_length_b 5.31378867 _cell_length_c 5.31378867 _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_Ac2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51483200 _cell_length_b 7.51483200 _cell_length_c 7.51483200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,107
43,647
mp-1205725
-3.447692
5.5085
Rb3PrF6
0.07252
['F', 'Pr', 'Rb']
# generated using pymatgen data_Rb3PrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03945024 _cell_length_b 7.03945024 _cell_length_c 7.03945024 _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_Rb3PrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95528600 _cell_length_b 9.95528600 _cell_length_c 9.95528600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,108
35,905
mp-754714
-3.044461
3.3279
Li2MnF4
0.036789
['F', 'Li', 'Mn']
# generated using pymatgen data_Li2MnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53201500 _cell_length_b 5.83866300 _cell_length_c 6.16362640 _cell_angle_alpha 63.15407037 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_Li2MnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83866300 _cell_length_b 5.53201500 _cell_length_c 6.16362640 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.84592963 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,109
15,198
mp-1225366
-0.1943
0
Dy2FeCo3
0
['Co', 'Dy', 'Fe']
# generated using pymatgen data_Dy2FeCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00750941 _cell_length_b 5.00750941 _cell_length_c 5.00750946 _cell_angle_alpha 62.68234118 _cell_angle_beta 62.68234118 _cell_angle_gamma 62.68234950 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Dy2FeCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20914170 _cell_length_b 5.20914170 _cell_length_c 12.01128166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,110
25,483
mp-979917
-0.859658
0
DyYRh2
0.008469
['Dy', 'Rh', 'Y']
# generated using pymatgen data_DyYRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86233493 _cell_length_b 4.86233493 _cell_length_c 4.86233493 _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_DyYRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87638000 _cell_length_b 6.87638000 _cell_length_c 6.87638000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,111
43,859
mp-753935
-1.688656
0.4571
LiNiSnO4
0.072787
['Li', 'Ni', 'O', 'Sn']
# generated using pymatgen data_LiNiSnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07366852 _cell_length_b 5.93844696 _cell_length_c 6.07361945 _cell_angle_alpha 61.01086812 _cell_angle_beta 89.56653844 _cell_angle_gamma 118.99027741 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
74
74
# generated using pymatgen data_LiNiSnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93844696 _cell_length_b 6.20995165 _cell_length_c 8.62185911 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,112
5,039
mp-1079613
-0.780852
0
Sm(GeIr)2
0
['Ge', 'Ir', 'Sm']
# generated using pymatgen data_Sm(GeIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25364900 _cell_length_b 4.25364900 _cell_length_c 10.18997600 _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_Sm(GeIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25364900 _cell_length_b 4.25364900 _cell_length_c 10.18997600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,113
17,126
mp-1189612
-1.957727
0.4512
NaCuSO4F
0
['Cu', 'F', 'Na', 'O', 'S']
# generated using pymatgen data_NaCuSO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59532524 _cell_length_b 5.59532524 _cell_length_c 6.95523945 _cell_angle_alpha 102.39024724 _cell_angle_beta 102.39024724 _cell_angle_gamma 99.99232802 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
15
15
# generated using pymatgen data_NaCuSO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19378539 _cell_length_b 8.57205401 _cell_length_c 6.95523945 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.49858591 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,114
28,394
mp-568333
-1.534724
1.3658
K2SnBr6
0.014217
['K', 'Sn', 'Br']
# generated using pymatgen data_K2SnBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64675173 _cell_length_b 7.64675173 _cell_length_c 7.64675173 _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_K2SnBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81414000 _cell_length_b 10.81414000 _cell_length_c 10.81414000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,115
32,536
mp-1094602
-0.023583
0
LiMg3
0.026128
['Li', 'Mg']
# generated using pymatgen data_LiMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29615820 _cell_length_b 6.29615820 _cell_length_c 5.12286200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000205 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_LiMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29615820 _cell_length_b 6.29615820 _cell_length_c 5.12286200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,116
19,189
mp-1219071
-0.473371
0
SmEuB12
0
['B', 'Eu', 'Sm']
# generated using pymatgen data_SmEuB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85174985 _cell_length_b 5.85174985 _cell_length_c 5.85174985 _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_SmEuB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27562400 _cell_length_b 8.27562400 _cell_length_c 8.27562400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,117
34,601
mp-11304
-0.239289
0
Li2CdPb
0.032927
['Li', 'Cd', 'Pb']
# generated using pymatgen data_Li2CdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95272156 _cell_length_b 4.95272156 _cell_length_c 4.95272156 _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_Li2CdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00420600 _cell_length_b 7.00420600 _cell_length_c 7.00420600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,118
25,969
mp-867136
-0.122465
0
LiTm2Co
0.009326
['Co', 'Li', 'Tm']
# generated using pymatgen data_LiTm2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79130039 _cell_length_b 4.79130039 _cell_length_c 4.79130039 _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_LiTm2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77592199 _cell_length_b 6.77592199 _cell_length_c 6.77592199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,119
11,592
mp-11596
-0.849674
0
PrBPt3
0
['Pr', 'B', 'Pt']
# generated using pymatgen data_PrBPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06421100 _cell_length_b 4.06421100 _cell_length_c 5.11063200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
99
99
# generated using pymatgen data_PrBPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06421100 _cell_length_b 4.06421100 _cell_length_c 5.11063200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,120
5,837
mp-4019
-3.556087
2.3053
CaTiO3
0
['Ca', 'Ti', 'O']
# generated using pymatgen data_CaTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40776000 _cell_length_b 5.50742900 _cell_length_c 7.69401200 _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_CaTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40776000 _cell_length_b 5.50742900 _cell_length_c 7.69401200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,121
2,305
mp-2313
-0.09481
0
MgIn
0
['Mg', 'In']
# generated using pymatgen data_MgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26710800 _cell_length_b 3.26710800 _cell_length_c 4.42263900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
123
123
# generated using pymatgen data_MgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26710800 _cell_length_b 3.26710800 _cell_length_c 4.42263900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
23,122
26,375
mp-568266
-1.214665
0
Tm2NiAs2
0.009946
['As', 'Ni', 'Tm']
# generated using pymatgen data_Tm2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08664665 _cell_length_b 4.08664665 _cell_length_c 13.80678100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001048 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
186
186
# generated using pymatgen data_Tm2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08664665 _cell_length_b 4.08664665 _cell_length_c 13.80678100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,123
7,757
mp-20742
-1.206302
0.4305
EuPSe3
0
['Eu', 'P', 'Se']
# generated using pymatgen data_EuPSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82108600 _cell_length_b 7.03601500 _cell_length_c 11.84634853 _cell_angle_alpha 55.50766828 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_EuPSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03601500 _cell_length_b 7.82108600 _cell_length_c 11.84634853 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.49233172 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,124
16,282
mp-27587
-0.327893
0
Li8Pb3
0
['Li', 'Pb']
# generated using pymatgen data_Li8Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10074124 _cell_length_b 11.10074124 _cell_length_c 11.10074154 _cell_angle_alpha 24.79131383 _cell_angle_beta 24.79131383 _cell_angle_gamma 24.79130881 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_Li8Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76579851 _cell_length_b 4.76579851 _cell_length_c 32.26297589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,125
26,853
mp-31025
-2.312479
0
Sc5NCl8
0.011549
['Cl', 'N', 'Sc']
# generated using pymatgen data_Sc5NCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23198282 _cell_length_b 9.23198282 _cell_length_c 12.13407126 _cell_angle_alpha 51.07216530 _cell_angle_beta 51.07216530 _cell_angle_gamma 21.96805553 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Sc5NCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.12571201 _cell_length_b 3.51803800 _cell_length_c 12.13407126 _cell_angle_alpha 90.00000000 _cell_angle_beta 129.79680594 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,126
34,060
mp-1104879
-1.414227
2.6608
Li2H6PtO6
0.030872
['H', 'Li', 'O', 'Pt']
# generated using pymatgen data_Li2H6PtO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82483700 _cell_length_b 5.50464516 _cell_length_c 5.50466979 _cell_angle_alpha 119.99974131 _cell_angle_beta 90.00039083 _cell_angle_gamma 89.99984241 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
147
147
# generated using pymatgen data_Li2H6PtO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50465748 _cell_length_b 5.50465748 _cell_length_c 4.82483700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,127
19,163
mp-1207770
-0.923174
0
Y5BiPt2
0
['Bi', 'Pt', 'Y']
# generated using pymatgen data_Y5BiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89678495 _cell_length_b 8.89678495 _cell_length_c 8.89678495 _cell_angle_alpha 127.89362720 _cell_angle_beta 127.89362720 _cell_angle_gamma 76.79741123 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
140
140
# generated using pymatgen data_Y5BiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81503000 _cell_length_b 7.81503000 _cell_length_c 13.94495400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,128
9,674
mp-1212884
-2.583921
0.912
DyRhO3
0
['Dy', 'O', 'Rh']
# generated using pymatgen data_DyRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28419700 _cell_length_b 5.82443700 _cell_length_c 7.67218600 _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_DyRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28419700 _cell_length_b 5.82443700 _cell_length_c 7.67218600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,129
11,441
mp-862911
-0.511776
0
Ti2CoTc
0
['Ti', 'Co', 'Tc']
# generated using pymatgen data_Ti2CoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29123024 _cell_length_b 4.29123024 _cell_length_c 4.29123024 _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_Ti2CoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06871600 _cell_length_b 6.06871600 _cell_length_c 6.06871600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,130
11,779
mp-2689
-0.0541
0
ThFe5
0
['Th', 'Fe']
# generated using pymatgen data_ThFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07106465 _cell_length_b 5.07106465 _cell_length_c 4.04400200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000849 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_ThFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07106465 _cell_length_b 5.07106465 _cell_length_c 4.04400200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,131
28,727
mp-1222078
-0.227069
0
Mn(CuTe)2
0.015646
['Cu', 'Mn', 'Te']
# generated using pymatgen data_Mn(CuTe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55065340 _cell_length_b 8.55065340 _cell_length_c 8.55065340 _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_Mn(CuTe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.09245001 _cell_length_b 12.09245001 _cell_length_c 12.09245001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,132
36,786
mp-1259944
-2.154884
3.7654
Cs2Si(HO2)2
0.040484
['Cs', 'H', 'O', 'Si']
# generated using pymatgen data_Cs2Si(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39992066 _cell_length_b 6.60975746 _cell_length_c 8.40517192 _cell_angle_alpha 74.93097453 _cell_angle_beta 70.75694577 _cell_angle_gamma 80.64760848 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_Cs2Si(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39992066 _cell_length_b 6.60975746 _cell_length_c 8.40517192 _cell_angle_alpha 74.93097453 _cell_angle_beta 70.75694577 _cell_angle_gamma 80.64760848 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,133
6,383
mp-6653
-3.479932
2.8542
Ba2ErNbO6
0
['Ba', 'Er', 'Nb', 'O']
# generated using pymatgen data_Ba2ErNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02527244 _cell_length_b 6.02527244 _cell_length_c 6.02527244 _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_Ba2ErNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52102200 _cell_length_b 8.52102200 _cell_length_c 8.52102200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,134
22,704
mp-1223291
-0.243321
0
La2Cu3Ni
0.004039
['Cu', 'La', 'Ni']
# generated using pymatgen data_La2Cu3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89414200 _cell_length_b 4.31633000 _cell_length_c 7.31589200 _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_La2Cu3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89414200 _cell_length_b 4.31633000 _cell_length_c 7.31589200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,135
12,899
mp-697047
-0.498172
0.6897
Li3H4Rh
0
['H', 'Li', 'Rh']
# generated using pymatgen data_Li3H4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88678766 _cell_length_b 4.88678766 _cell_length_c 8.84649700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.57668757 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Li3H4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77351600 _cell_length_b 9.01572801 _cell_length_c 8.84649700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,136
3,507
mp-1018681
-0.43222
0
DyZnIn
0
['Dy', 'In', 'Zn']
# generated using pymatgen data_DyZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68005876 _cell_length_b 4.68005876 _cell_length_c 7.26008300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001078 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_DyZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68005876 _cell_length_b 4.68005876 _cell_length_c 7.26008300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,137
6,204
mp-1228679
-0.425014
0
Ba(B2Pt3)2
0
['B', 'Ba', 'Pt']
# generated using pymatgen data_Ba(B2Pt3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25533833 _cell_length_b 6.25533833 _cell_length_c 5.30280900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000351 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
164
164
# generated using pymatgen data_Ba(B2Pt3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25533833 _cell_length_b 6.25533833 _cell_length_c 5.30280900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,138
36,451
mp-777469
-2.441942
0
VO2
0.038334
['O', 'V']
# generated using pymatgen data_VO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11565901 _cell_length_b 5.11568817 _cell_length_c 6.27354700 _cell_angle_alpha 89.99863837 _cell_angle_beta 89.99841301 _cell_angle_gamma 67.58696814 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO2...
63
63
# generated using pymatgen data_VO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69068664 _cell_length_b 8.50273783 _cell_length_c 6.27354700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO2...
23,139
42,843
mp-643788
-1.530715
3.312
Na2Sn(HO)6
0.067386
['H', 'Na', 'O', 'Sn']
# generated using pymatgen data_Na2Sn(HO)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93476565 _cell_length_b 5.93476565 _cell_length_c 5.93476566 _cell_angle_alpha 67.84337859 _cell_angle_beta 67.84337859 _cell_angle_gamma 67.84337897 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
148
148
# generated using pymatgen data_Na2Sn(HO)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62390199 _cell_length_b 6.62390199 _cell_length_c 13.61487267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,140
11,602
mp-1184250
-0.368305
0
EuTlHg2
0
['Eu', 'Hg', 'Tl']
# generated using pymatgen data_EuTlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36767303 _cell_length_b 5.36767303 _cell_length_c 5.36767303 _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_EuTlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59103600 _cell_length_b 7.59103600 _cell_length_c 7.59103600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,141
2,820
mp-408
-0.268846
0.2505
Mg2Ge
0
['Mg', 'Ge']
# generated using pymatgen data_Mg2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54346371 _cell_length_b 4.54346371 _cell_length_c 4.54346371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
225
225
# generated using pymatgen data_Mg2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42542800 _cell_length_b 6.42542800 _cell_length_c 6.42542800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
23,142
45,016
mp-1080350
-1.837861
0.4856
CeSe2
0.079704
['Ce', 'Se']
# generated using pymatgen data_CeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50943200 _cell_length_b 7.27276022 _cell_length_c 7.66269787 _cell_angle_alpha 104.39935669 _cell_angle_beta 105.39056698 _cell_angle_gamma 107.70465129 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_CeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50943200 _cell_length_b 7.27276022 _cell_length_c 7.66269787 _cell_angle_alpha 104.39935669 _cell_angle_beta 105.39056698 _cell_angle_gamma 107.70465129 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,143
20,413
mp-7581
-0.987573
1.4809
MoSe2
0.00015
['Mo', 'Se']
# generated using pymatgen data_MoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60921763 _cell_length_b 7.60921763 _cell_length_c 7.60921765 _cell_angle_alpha 25.26164024 _cell_angle_beta 25.26164024 _cell_angle_gamma 25.26164524 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
160
160
# generated using pymatgen data_MoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32778768 _cell_length_b 3.32778768 _cell_length_c 22.08798830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,144
33,086
mp-1182102
-0.578634
1.7746
BaH2
0.027741
['Ba', 'H']
# generated using pymatgen data_BaH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45588646 _cell_length_b 4.45588646 _cell_length_c 6.06041300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000678 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
194
194
# generated using pymatgen data_BaH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45588646 _cell_length_b 4.45588646 _cell_length_c 6.06041300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
23,145
44,931
mp-756527
-1.867388
0.3056
LiFeO2
0.077551
['Fe', 'Li', 'O']
# generated using pymatgen data_LiFeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95654822 _cell_length_b 5.95654822 _cell_length_c 5.95654822 _cell_angle_alpha 120.73309377 _cell_angle_beta 120.68156217 _cell_angle_gamma 88.77918268 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_LiFeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89042400 _cell_length_b 5.89508000 _cell_length_c 8.51309601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,146
14,515
mp-1061766
-1.021195
0
CeNiAs
0
['As', 'Ce', 'Ni']
# generated using pymatgen data_CeNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10371660 _cell_length_b 4.10371660 _cell_length_c 3.96769900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000969 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_CeNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10371660 _cell_length_b 4.10371660 _cell_length_c 3.96769900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,147
35,093
mp-1178214
-1.82363
0.973
FeSnO3
0.035185
['Fe', 'O', 'Sn']
# generated using pymatgen data_FeSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43931500 _cell_length_b 5.46144100 _cell_length_c 7.86870000 _cell_angle_alpha 89.99699991 _cell_angle_beta 90.00083682 _cell_angle_gamma 90.00018924 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
62
62
# generated using pymatgen data_FeSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43931500 _cell_length_b 5.46144100 _cell_length_c 7.86870000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,148
41,799
mp-1523297
-2.825895
2.7815
KLaMgWO6
0.062994
['K', 'La', 'Mg', 'O', 'W']
# generated using pymatgen data_KLaMgWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65181196 _cell_length_b 5.65181196 _cell_length_c 5.65181196 _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_KLaMgWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99286913 _cell_length_b 7.99286913 _cell_length_c 7.99286913 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,149
3,458
mp-865437
-0.441166
0
Lu2ZnRu
0
['Lu', 'Ru', 'Zn']
# generated using pymatgen data_Lu2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81926223 _cell_length_b 4.81926223 _cell_length_c 4.81926223 _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_Lu2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81546601 _cell_length_b 6.81546601 _cell_length_c 6.81546601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,150
20,028
mp-1080661
-0.837337
0
Gd2SnAu2
0.000339
['Au', 'Gd', 'Sn']
# generated using pymatgen data_Gd2SnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93269800 _cell_length_b 7.93269800 _cell_length_c 3.90947400 _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_Gd2SnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93269800 _cell_length_b 7.93269800 _cell_length_c 3.90947400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,151
3,185
mp-1220820
-1.769882
2.3702
NaBi3(ClO2)2
0
['Bi', 'Cl', 'Na', 'O']
# generated using pymatgen data_NaBi3(ClO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77694610 _cell_length_b 6.77694610 _cell_length_c 5.56832800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 131.45295563 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
38
38
# generated using pymatgen data_NaBi3(ClO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57191200 _cell_length_b 12.35563800 _cell_length_c 5.56832800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,152
39,423
mp-755420
-3.587157
3.0504
SrSm2O4
0.050549
['O', 'Sm', 'Sr']
# generated using pymatgen data_SrSm2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02552848 _cell_length_b 6.02552848 _cell_length_c 11.39719600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.52452316 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_SrSm2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47060000 _cell_length_b 11.54049000 _cell_length_c 11.39719600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,153
19,458
mp-865871
-0.394887
0
Li2ZnAu
0
['Li', 'Zn', 'Au']
# generated using pymatgen data_Li2ZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38096633 _cell_length_b 4.38096633 _cell_length_c 4.38096633 _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_Li2ZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19562200 _cell_length_b 6.19562200 _cell_length_c 6.19562200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,154
23,437
mp-776618
-2.425752
1.8945
Li4VCr3O8
0.004159
['Cr', 'Li', 'O', 'V']
# generated using pymatgen data_Li4VCr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14628697 _cell_length_b 5.96595440 _cell_length_c 5.92948039 _cell_angle_alpha 119.79130420 _cell_angle_beta 90.00134011 _cell_angle_gamma 73.07072744 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Li4VCr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.35499818 _cell_length_b 5.92948039 _cell_length_c 5.14628697 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.60426013 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,155
36,664
mp-1206746
-0.457252
0
PrSiAg
0.040684
['Ag', 'Pr', 'Si']
# generated using pymatgen data_PrSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16166700 _cell_length_b 4.39062234 _cell_length_c 4.39062234 _cell_angle_alpha 119.99997491 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_PrSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39062234 _cell_length_b 4.39062234 _cell_length_c 4.16166700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,156
31,328
mp-20227
-0.43316
0
NaMnP
0.022556
['Na', 'Mn', 'P']
# generated using pymatgen data_NaMnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76119100 _cell_length_b 3.76119100 _cell_length_c 6.98974000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
129
129
# generated using pymatgen data_NaMnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76119100 _cell_length_b 3.76119100 _cell_length_c 6.98974000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
23,157
16,141
mp-1207805
-0.4478
0
VSi3Mo4
0
['Mo', 'Si', 'V']
# generated using pymatgen data_VSi3Mo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25022563 _cell_length_b 7.25022563 _cell_length_c 7.25022563 _cell_angle_alpha 96.39810886 _cell_angle_beta 96.39810886 _cell_angle_gamma 140.99834087 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_VSi3Mo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66519999 _cell_length_b 9.66519999 _cell_length_c 4.84054800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,158
4,543
mp-1079758
-2.995361
4.3147
TbHO2
0
['H', 'O', 'Tb']
# generated using pymatgen data_TbHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69371500 _cell_length_b 4.36646900 _cell_length_c 6.05222505 _cell_angle_alpha 70.74944829 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
11
11
# generated using pymatgen data_TbHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36646900 _cell_length_b 3.69371500 _cell_length_c 6.05222505 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.25055171 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,159
37,483
mp-996999
-0.957983
0
CuHO2
0.043334
['Cu', 'H', 'O']
# generated using pymatgen data_CuHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14701461 _cell_length_b 6.14701461 _cell_length_c 4.03071100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 152.05020777 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_CuHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96896800 _cell_length_b 11.93014600 _cell_length_c 4.03071100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,160
41,562
mp-1111237
-2.052599
0.3465
K2NaCeBr6
0.062773
['Br', 'Ce', 'K', 'Na']
# generated using pymatgen data_K2NaCeBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17779882 _cell_length_b 8.17779882 _cell_length_c 8.17779882 _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_K2NaCeBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.56515400 _cell_length_b 11.56515400 _cell_length_c 11.56515400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,161
44,438
mp-772421
-1.833606
2.033
KLi2FeO3
0.074421
['Fe', 'K', 'Li', 'O']
# generated using pymatgen data_KLi2FeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49133000 _cell_length_b 5.49820848 _cell_length_c 6.15100213 _cell_angle_alpha 90.18742506 _cell_angle_beta 90.01086114 _cell_angle_gamma 106.57190139 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
9
9
# generated using pymatgen data_KLi2FeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80953456 _cell_length_b 6.56978722 _cell_length_c 6.15100213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.11020545 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,162
20,157
mp-1218762
-0.523777
0.568
Sr2Li7CuN4
0.000292
['Cu', 'Li', 'N', 'Sr']
# generated using pymatgen data_Sr2Li7CuN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.90759848 _cell_length_b 13.90759848 _cell_length_c 13.90759848 _cell_angle_alpha 164.52846823 _cell_angle_beta 164.06357095 _cell_angle_gamma 22.28182425 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
44
44
# generated using pymatgen data_Sr2Li7CuN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74405800 _cell_length_b 3.85584600 _cell_length_c 27.29101800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,163
10,161
mp-1214348
-1.547087
1.2931
BaLaAgTe3
0
['Ag', 'Ba', 'La', 'Te']
# generated using pymatgen data_BaLaAgTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96477140 _cell_length_b 7.96477140 _cell_length_c 11.88845300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.19403818 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
63
63
# generated using pymatgen data_BaLaAgTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63154600 _cell_length_b 15.24136200 _cell_length_c 11.88845300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,164
16,250
mp-21845
-0.108255
0
FePd3
0
['Fe', 'Pd']
# generated using pymatgen data_FePd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89508800 _cell_length_b 3.89508800 _cell_length_c 3.89508800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...
221
221
# generated using pymatgen data_FePd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89508800 _cell_length_b 3.89508800 _cell_length_c 3.89508800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...
23,165
32,023
mp-1077521
-0.427087
0
GdCo2B2C
0.025559
['B', 'C', 'Co', 'Gd']
# generated using pymatgen data_GdCo2B2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71160867 _cell_length_b 5.71160867 _cell_length_c 5.71160867 _cell_angle_alpha 143.62073507 _cell_angle_beta 143.62073507 _cell_angle_gamma 52.39480484 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_GdCo2B2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56590600 _cell_length_b 3.56590600 _cell_length_c 10.24980601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,166
36,723
mp-1220778
-0.549236
0
Nd4MnSn8
0.039764
['Mn', 'Nd', 'Sn']
# generated using pymatgen data_Nd4MnSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49378400 _cell_length_b 4.57014800 _cell_length_c 17.31759600 _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_Nd4MnSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49378400 _cell_length_b 4.57014800 _cell_length_c 17.31759600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,167
38,348
mp-38099
-1.734902
1.5162
Rb4Cl2O
0.046309
['Cl', 'O', 'Rb']
# generated using pymatgen data_Rb4Cl2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37920741 _cell_length_b 8.37920741 _cell_length_c 8.37920741 _cell_angle_alpha 112.22059352 _cell_angle_beta 112.22059352 _cell_angle_gamma 104.10223908 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
122
122
# generated using pymatgen data_Rb4Cl2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34442401 _cell_length_b 9.34442401 _cell_length_c 10.30572401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,168
3,103
mp-1186224
-0.213523
0
NbGaTc2
0
['Ga', 'Nb', 'Tc']
# generated using pymatgen data_NbGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43508404 _cell_length_b 4.43508404 _cell_length_c 4.43508404 _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_NbGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27215600 _cell_length_b 6.27215600 _cell_length_c 6.27215600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,169
32,100
mp-1185262
-0.286341
0.0884
LiPd2Au
0.02528
['Au', 'Li', 'Pd']
# generated using pymatgen data_LiPd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47231604 _cell_length_b 4.47231604 _cell_length_c 4.47231604 _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_LiPd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32481000 _cell_length_b 6.32481000 _cell_length_c 6.32481000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,170
30,505
mp-1018797
-0.271522
0
MgAgSb
0.020508
['Ag', 'Mg', 'Sb']
# generated using pymatgen data_MgAgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45721100 _cell_length_b 4.45721100 _cell_length_c 6.87363400 _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_MgAgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45721100 _cell_length_b 4.45721100 _cell_length_c 6.87363400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,171
7,344
mp-4820
-3.55876
4.4579
ZrSiO4
0
['Zr', 'Si', 'O']
# generated using pymatgen data_ZrSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62319397 _cell_length_b 5.62319397 _cell_length_c 5.62319397 _cell_angle_alpha 106.76857500 _cell_angle_beta 106.76857500 _cell_angle_gamma 115.02328906 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
141
141
# generated using pymatgen data_ZrSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70785200 _cell_length_b 6.70785200 _cell_length_c 6.04075200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,172
24,982
mp-981208
-0.491559
0
YTmHg2
0.007547
['Hg', 'Tm', 'Y']
# generated using pymatgen data_YTmHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24374691 _cell_length_b 5.24374691 _cell_length_c 5.24374691 _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_YTmHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41577800 _cell_length_b 7.41577800 _cell_length_c 7.41577800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,173
41,091
mp-1113298
-1.555635
0.9332
Rb2CuMoCl6
0.06065
['Cl', 'Cu', 'Mo', 'Rb']
# generated using pymatgen data_Rb2CuMoCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12691228 _cell_length_b 7.12691228 _cell_length_c 7.12691228 _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_Rb2CuMoCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07897600 _cell_length_b 10.07897600 _cell_length_c 10.07897600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,174
4,385
mp-570102
-0.6005
0
HoSiRu2C
0
['Ho', 'Si', 'Ru', 'C']
# generated using pymatgen data_HoSiRu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88932108 _cell_length_b 5.88932108 _cell_length_c 7.14907200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.46311880 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_HoSiRu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78971000 _cell_length_b 11.15233201 _cell_length_c 7.14907200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,175
30,081
mp-1184582
-0.481684
0
HfNbRu2
0.019665
['Hf', 'Nb', 'Ru']
# generated using pymatgen data_HfNbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54679560 _cell_length_b 4.54679560 _cell_length_c 4.54679560 _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_HfNbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43014000 _cell_length_b 6.43014000 _cell_length_c 6.43014000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,176
37,879
mp-7350
-0.636364
0
Li(YSi)2
0.043926
['Li', 'Y', 'Si']
# generated using pymatgen data_Li(YSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16103100 _cell_length_b 7.16103100 _cell_length_c 4.18712500 _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_Li(YSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16103100 _cell_length_b 7.16103100 _cell_length_c 4.18712500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,177
35,285
mp-1247447
-1.793242
0
Mg2Sc3MnS8
0.034786
['Mg', 'Mn', 'S', 'Sc']
# generated using pymatgen data_Mg2Sc3MnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52845767 _cell_length_b 7.47838708 _cell_length_c 7.53267421 _cell_angle_alpha 59.84947479 _cell_angle_beta 59.87627726 _cell_angle_gamma 59.90651194 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Mg2Sc3MnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53056594 _cell_length_b 7.53056594 _cell_length_c 18.29022279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,178
17,028
mp-1072444
-0.535362
0
UPt5
0
['Pt', 'U']
# generated using pymatgen data_UPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29958006 _cell_length_b 5.29958006 _cell_length_c 5.29958006 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UP...
216
216
# generated using pymatgen data_UPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49473800 _cell_length_b 7.49473800 _cell_length_c 7.49473800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UP...
23,179
8,505
mp-1018093
-0.47024
0.4956
CaGaGeH
0
['Ca', 'Ga', 'Ge', 'H']
# generated using pymatgen data_CaGaGeH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15290952 _cell_length_b 4.15290952 _cell_length_c 4.79882100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999228 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_CaGaGeH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15290952 _cell_length_b 4.15290952 _cell_length_c 4.79882100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,180
4,101
mp-1183586
-0.657606
0
CaInPd2
0
['Ca', 'In', 'Pd']
# generated using pymatgen data_CaInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81032864 _cell_length_b 4.81032864 _cell_length_c 4.81032864 _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_CaInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80283200 _cell_length_b 6.80283200 _cell_length_c 6.80283200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,181
29,969
mp-975650
-0.371893
0
Pr2ZnHg
0.018385
['Pr', 'Zn', 'Hg']
# generated using pymatgen data_Pr2ZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38242611 _cell_length_b 5.38242611 _cell_length_c 5.38242611 _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_Pr2ZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61190000 _cell_length_b 7.61190000 _cell_length_c 7.61190000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,182
34,588
mp-1113043
-1.623722
1.6471
Cs2KMoBr6
0.033301
['Br', 'Cs', 'K', 'Mo']
# generated using pymatgen data_Cs2KMoBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18466907 _cell_length_b 8.18466907 _cell_length_c 8.18466907 _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_Cs2KMoBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.57487000 _cell_length_b 11.57487000 _cell_length_c 11.57487000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,183
13,873
mp-6062
-3.246177
5.3745
YAl3(BO3)4
0
['Al', 'B', 'O', 'Y']
# generated using pymatgen data_YAl3(BO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93059769 _cell_length_b 5.93059769 _cell_length_c 5.93059730 _cell_angle_alpha 104.28063699 _cell_angle_beta 104.28063699 _cell_angle_gamma 104.28064672 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
155
155
# generated using pymatgen data_YAl3(BO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36460554 _cell_length_b 9.36460554 _cell_length_c 7.31166088 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,184
7,189
mp-1222612
-0.413438
0
Li2SnIr
0
['Ir', 'Li', 'Sn']
# generated using pymatgen data_Li2SnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44605692 _cell_length_b 4.44605692 _cell_length_c 4.44605692 _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_Li2SnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28767400 _cell_length_b 6.28767400 _cell_length_c 6.28767400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,185
34,504
mp-1018722
-0.408387
1.0508
HgSe
0.033352
['Hg', 'Se']
# generated using pymatgen data_HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55876586 _cell_length_b 4.55876586 _cell_length_c 9.94190900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999791 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
154
154
# generated using pymatgen data_HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55876586 _cell_length_b 4.55876586 _cell_length_c 9.94190900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
23,186
139
mp-1021506
-0.620904
0
La(P3Os)4
0
['La', 'Os', 'P']
# generated using pymatgen data_La(P3Os)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05122907 _cell_length_b 7.05122907 _cell_length_c 7.05122907 _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_La(P3Os)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14205800 _cell_length_b 8.14205800 _cell_length_c 8.14205800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,187
15,617
mp-1188487
-0.353037
0
Zr5SnPb3
0
['Pb', 'Sn', 'Zr']
# generated using pymatgen data_Zr5SnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98735770 _cell_length_b 8.98735770 _cell_length_c 6.03791700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999783 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
193
193
# generated using pymatgen data_Zr5SnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98735770 _cell_length_b 8.98735770 _cell_length_c 6.03791700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,188
14,069
mp-1103265
-0.636431
0
Y3(CuGe)4
0
['Cu', 'Ge', 'Y']
# generated using pymatgen data_Y3(CuGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.02401576 _cell_length_b 8.02401576 _cell_length_c 8.02401576 _cell_angle_alpha 149.47565853 _cell_angle_beta 130.91461107 _cell_angle_gamma 58.91246680 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Y3(CuGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22442200 _cell_length_b 6.66589000 _cell_length_c 13.97352800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,189
7,668
mp-1212255
-0.61943
0
Ho4Ga12Pt
0
['Ga', 'Ho', 'Pt']
# generated using pymatgen data_Ho4Ga12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47906294 _cell_length_b 7.47906294 _cell_length_c 7.47906294 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
229
229
# generated using pymatgen data_Ho4Ga12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63607800 _cell_length_b 8.63607800 _cell_length_c 8.63607800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,190
44,799
mp-1296002
-1.491546
0.6352
NaCoO2
0.077001
['Co', 'Na', 'O']
# generated using pymatgen data_NaCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84700259 _cell_length_b 6.33607649 _cell_length_c 9.42767710 _cell_angle_alpha 90.01211375 _cell_angle_beta 89.98914686 _cell_angle_gamma 90.07531066 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
31
31
# generated using pymatgen data_NaCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84700259 _cell_length_b 4.71383855 _cell_length_c 6.33607649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,191
1,122
mp-1188083
-0.419922
0
PuInAu2
0
['Au', 'In', 'Pu']
# generated using pymatgen data_PuInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99703311 _cell_length_b 4.99703311 _cell_length_c 4.99703311 _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_PuInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06687200 _cell_length_b 7.06687200 _cell_length_c 7.06687200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,192
18,438
mp-862669
-0.379217
0
BeFe2Si
0
['Be', 'Fe', 'Si']
# generated using pymatgen data_BeFe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81975265 _cell_length_b 3.81975265 _cell_length_c 3.81975265 _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_BeFe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40194600 _cell_length_b 5.40194600 _cell_length_c 5.40194600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,193
32,133
mp-1188323
-3.278983
0.1193
Ti2O3
0.024456
['O', 'Ti']
# generated using pymatgen data_Ti2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85498600 _cell_length_b 7.88040500 _cell_length_c 8.20830500 _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_Ti2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85498600 _cell_length_b 7.88040500 _cell_length_c 8.20830500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,194
27,655
mp-1207962
-0.288135
0
Tm2MnC4
0.012899
['C', 'Mn', 'Tm']
# generated using pymatgen data_Tm2MnC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50726387 _cell_length_b 6.50726387 _cell_length_c 6.50726387 _cell_angle_alpha 134.93251827 _cell_angle_beta 109.26055342 _cell_angle_gamma 87.92899366 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
72
72
# generated using pymatgen data_Tm2MnC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98752400 _cell_length_b 7.53346400 _cell_length_c 9.36746800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,195
20,112
mp-1205966
-1.453718
0.6226
Sr2Zn3(AsO)2
0.000241
['As', 'O', 'Sr', 'Zn']
# generated using pymatgen data_Sr2Zn3(AsO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13191500 _cell_length_b 4.13191500 _cell_length_c 9.99634707 _cell_angle_alpha 101.92734676 _cell_angle_beta 101.92734676 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
139
139
# generated using pymatgen data_Sr2Zn3(AsO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13191500 _cell_length_b 4.13191500 _cell_length_c 19.11968599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,196
27,806
mp-20099
-2.022963
2.3503
In6WO12
0.013655
['In', 'O', 'W']
# generated using pymatgen data_In6WO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34693642 _cell_length_b 6.34693642 _cell_length_c 6.34693687 _cell_angle_alpha 99.12456035 _cell_angle_beta 99.12456035 _cell_angle_gamma 99.12455872 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_In6WO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66145223 _cell_length_b 9.66145223 _cell_length_c 9.08413189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,197
892
mp-753668
-3.056832
3.4808
Ba2GdSbO6
0
['Ba', 'Gd', 'O', 'Sb']
# generated using pymatgen data_Ba2GdSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06701861 _cell_length_b 6.06701861 _cell_length_c 6.06701861 _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_Ba2GdSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58006000 _cell_length_b 8.58006000 _cell_length_c 8.58006000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,198
28,704
mp-1218574
-3.731918
2.5782
Sr4Hf3TiO12
0.015858
['Hf', 'O', 'Sr', 'Ti']
# generated using pymatgen data_Sr4Hf3TiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73240616 _cell_length_b 8.23335654 _cell_length_c 5.73758242 _cell_angle_alpha 89.96234773 _cell_angle_beta 90.02071320 _cell_angle_gamma 90.01808592 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_Sr4Hf3TiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73240616 _cell_length_b 5.73758242 _cell_length_c 8.23335654 _cell_angle_alpha 89.96234773 _cell_angle_beta 89.98191408 _cell_angle_gamma 89.97928680 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,199
22,811
mp-23293
-2.719991
3.8075
TbCl3
0.003715
['Cl', 'Tb']
# generated using pymatgen data_TbCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88718248 _cell_length_b 6.88718248 _cell_length_c 8.57883500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.77418940 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_TbCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82281400 _cell_length_b 13.23326200 _cell_length_c 8.57883500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...