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
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float64
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0.08
elements
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cif
stringlengths
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1.73k
spacegroup.number
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spacegroup.number.conv
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cif.conv
stringlengths
696
5.07k
23,600
42,690
mp-1218042
-0.102375
0
TaCo4Mo
0.068468
['Co', 'Mo', 'Ta']
# generated using pymatgen data_TaCo4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72112372 _cell_length_b 4.72112372 _cell_length_c 7.70091100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999614 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_TaCo4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72112372 _cell_length_b 4.72112372 _cell_length_c 7.70091100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,601
27,286
mp-1274195
-2.5938
0.3085
YCoO3
0.011656
['Co', 'O', 'Y']
# generated using pymatgen data_YCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27717852 _cell_length_b 5.70734023 _cell_length_c 7.53543709 _cell_angle_alpha 90.06302224 _cell_angle_beta 90.33811138 _cell_angle_gamma 90.64618665 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
2
2
# generated using pymatgen data_YCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27717852 _cell_length_b 5.70734023 _cell_length_c 7.53543709 _cell_angle_alpha 90.06302224 _cell_angle_beta 90.33811138 _cell_angle_gamma 90.64618665 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
23,602
15,292
mp-27891
-1.338841
0.8559
Bi2SO2
0
['Bi', 'S', 'O']
# generated using pymatgen data_Bi2SO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87512100 _cell_length_b 3.90866600 _cell_length_c 12.09581900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
58
58
# generated using pymatgen data_Bi2SO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87512100 _cell_length_b 3.90866600 _cell_length_c 12.09581900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,603
16,748
mp-1702
-0.687135
0
LaRh2
0
['La', 'Rh']
# generated using pymatgen data_LaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45761843 _cell_length_b 5.45761843 _cell_length_c 5.45761843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
227
227
# generated using pymatgen data_LaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71823800 _cell_length_b 7.71823800 _cell_length_c 7.71823800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
23,604
11,320
mp-28488
-1.727749
0.0519
CuPtF6
0
['Cu', 'F', 'Pt']
# generated using pymatgen data_CuPtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02854600 _cell_length_b 5.04458674 _cell_length_c 9.72806989 _cell_angle_alpha 76.10322764 _cell_angle_beta 76.04876830 _cell_angle_gamma 60.85113955 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_CuPtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02854600 _cell_length_b 5.04458674 _cell_length_c 9.72806989 _cell_angle_alpha 76.10322764 _cell_angle_beta 76.04876830 _cell_angle_gamma 60.85113955 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,605
36,705
mp-1218240
-2.651191
0
SrLa2(CuO3)2
0.040209
['Cu', 'La', 'O', 'Sr']
# generated using pymatgen data_SrLa2(CuO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.33212123 _cell_length_b 10.33212123 _cell_length_c 10.33212123 _cell_angle_alpha 158.36431390 _cell_angle_beta 158.36431390 _cell_angle_gamma 30.78498592 _symmetry_Int_Tables_number 1 _chemical_formula_st...
139
139
# generated using pymatgen data_SrLa2(CuO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87841400 _cell_length_b 3.87841400 _cell_length_c 19.92302001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,606
22,518
mp-1078801
-1.732114
3.8345
CsI
0.00332
['Cs', 'I']
# generated using pymatgen data_CsI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57010436 _cell_length_b 11.09713619 _cell_length_c 7.90980889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs...
59
59
# generated using pymatgen data_CsI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54856810 _cell_length_b 5.57010436 _cell_length_c 7.90980889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsI...
23,607
19,231
mp-1542604
-2.54967
2.3922
MnZnF6
0
['F', 'Mn', 'Zn']
# generated using pymatgen data_MnZnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40106512 _cell_length_b 5.40106512 _cell_length_c 5.40106532 _cell_angle_alpha 58.29972197 _cell_angle_beta 58.29972197 _cell_angle_gamma 58.29972242 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_MnZnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26167003 _cell_length_b 5.26167003 _cell_length_c 13.39731434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,608
36,464
mp-867901
-0.32532
0
ScTaTc2
0.037916
['Sc', 'Ta', 'Tc']
# generated using pymatgen data_ScTaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53764705 _cell_length_b 4.53764705 _cell_length_c 4.53764705 _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_ScTaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41720200 _cell_length_b 6.41720200 _cell_length_c 6.41720200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,609
24,109
mp-1183625
-0.477819
0
CaYbIn2
0.006171
['Ca', 'In', 'Yb']
# generated using pymatgen data_CaYbIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43380873 _cell_length_b 5.43380873 _cell_length_c 5.43380873 _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_CaYbIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68456600 _cell_length_b 7.68456600 _cell_length_c 7.68456600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,610
16,258
mp-22470
-0.404584
0
La(FeAs3)4
0
['As', 'Fe', 'La']
# generated using pymatgen data_La(FeAs3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24265013 _cell_length_b 7.24265013 _cell_length_c 7.24265013 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
204
204
# generated using pymatgen data_La(FeAs3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36309200 _cell_length_b 8.36309200 _cell_length_c 8.36309200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,611
32,599
mp-1183788
0.026368
0
DyHo3
0.026368
['Dy', 'Ho']
# generated using pymatgen data_DyHo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98557800 _cell_length_b 4.98557800 _cell_length_c 4.98557800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural D...
221
221
# generated using pymatgen data_DyHo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98557800 _cell_length_b 4.98557800 _cell_length_c 4.98557800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural D...
23,612
29,152
mp-1206347
-0.618241
0
La4Co2Sn5
0.016946
['Co', 'La', 'Sn']
# generated using pymatgen data_La4Co2Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53410012 _cell_length_b 7.53410012 _cell_length_c 11.15807953 _cell_angle_alpha 53.95774717 _cell_angle_beta 53.95774717 _cell_angle_gamma 35.89200392 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_La4Co2Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.33509199 _cell_length_b 4.64282200 _cell_length_c 11.15807953 _cell_angle_alpha 90.00000000 _cell_angle_beta 128.20463901 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,613
41,759
mp-1228752
-0.097782
0
Al4Cu15
0.061745
['Al', 'Cu']
# generated using pymatgen data_Al4Cu15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60877000 _cell_length_b 3.60877000 _cell_length_c 18.45622400 _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_Al4Cu15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60877000 _cell_length_b 3.60877000 _cell_length_c 18.45622400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,614
3,748
mp-181
-0.177859
0.6231
KGa3
0
['Ga', 'K']
# generated using pymatgen data_KGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73039600 _cell_length_b 8.73039600 _cell_length_c 8.73039600 _cell_angle_alpha 137.28592338 _cell_angle_beta 137.28592338 _cell_angle_gamma 61.99841936 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_KGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35884600 _cell_length_b 6.35884600 _cell_length_c 14.96694399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
23,615
17,627
mp-1189524
-1.960878
0
Tb6IrBr10
0
['Br', 'Ir', 'Tb']
# generated using pymatgen data_Tb6IrBr10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41247200 _cell_length_b 9.23073061 _cell_length_c 9.23417746 _cell_angle_alpha 108.49766618 _cell_angle_beta 97.20642097 _cell_angle_gamma 105.89478688 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_Tb6IrBr10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41247200 _cell_length_b 9.23073061 _cell_length_c 9.23417746 _cell_angle_alpha 108.49766618 _cell_angle_beta 97.20642097 _cell_angle_gamma 105.89478688 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,616
8,014
mp-1068243
-0.558321
0
Lu2InNi2
0
['In', 'Lu', 'Ni']
# generated using pymatgen data_Lu2InNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30096032 _cell_length_b 7.30096032 _cell_length_c 3.56185400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.11917327 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_Lu2InNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88755800 _cell_length_b 14.07490601 _cell_length_c 3.56185400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,617
37,990
mvc-13150
-2.144339
1.7762
Ca(FeO2)2
0.04432
['Ca', 'Fe', 'O']
# generated using pymatgen data_Ca(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29518075 _cell_length_b 6.29518075 _cell_length_c 6.29518075 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
227
227
# generated using pymatgen data_Ca(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90272999 _cell_length_b 8.90272999 _cell_length_c 8.90272999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,618
2,480
mp-977376
-0.672023
0
TbCdAu2
0
['Tb', 'Cd', 'Au']
# generated using pymatgen data_TbCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95676762 _cell_length_b 4.95676762 _cell_length_c 4.95676762 _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_TbCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00992799 _cell_length_b 7.00992799 _cell_length_c 7.00992799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,619
28,404
mp-626735
-1.763194
3.9357
BaH4O3
0.014288
['Ba', 'H', 'O']
# generated using pymatgen data_BaH4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17621300 _cell_length_b 6.43950385 _cell_length_c 7.20690655 _cell_angle_alpha 70.63074735 _cell_angle_beta 89.39181227 _cell_angle_gamma 89.31601162 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_BaH4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17621300 _cell_length_b 6.43950385 _cell_length_c 7.20690655 _cell_angle_alpha 70.63074735 _cell_angle_beta 89.39181227 _cell_angle_gamma 89.31601162 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,620
36,289
mp-1517108
-3.065884
0.0483
BaSmEuWO6
0.039494
['Ba', 'Eu', 'O', 'Sm', 'W']
# generated using pymatgen data_BaSmEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97959426 _cell_length_b 6.05614623 _cell_length_c 8.44476698 _cell_angle_alpha 89.87132774 _cell_angle_beta 90.37395630 _cell_angle_gamma 89.81294459 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_BaSmEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97959426 _cell_length_b 6.05614623 _cell_length_c 8.44476698 _cell_angle_alpha 90.12867226 _cell_angle_beta 90.37395630 _cell_angle_gamma 90.18705541 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,621
35,298
mp-1303200
-1.262891
0
NaNi2O3
0.035091
['Na', 'Ni', 'O']
# generated using pymatgen data_NaNi2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18701882 _cell_length_b 5.35856824 _cell_length_c 5.18695177 _cell_angle_alpha 79.27708568 _cell_angle_beta 118.00447448 _cell_angle_gamma 79.27530466 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_NaNi2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34264262 _cell_length_b 8.89243699 _cell_length_c 5.35856824 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.18049457 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,622
40,459
mp-780243
-2.212031
0.2004
Li5Ti2Cu3O10
0.055817
['Cu', 'Li', 'O', 'Ti']
# generated using pymatgen data_Li5Ti2Cu3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09967400 _cell_length_b 5.55360832 _cell_length_c 7.64847608 _cell_angle_alpha 103.22959594 _cell_angle_beta 103.31965343 _cell_angle_gamma 105.81998837 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
2
2
# generated using pymatgen data_Li5Ti2Cu3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09967400 _cell_length_b 5.55360832 _cell_length_c 7.64847608 _cell_angle_alpha 103.22959594 _cell_angle_beta 103.31965343 _cell_angle_gamma 105.81998837 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
23,623
5,228
mp-12856
-0.362399
0
Pr(AlSi)2
0
['Al', 'Pr', 'Si']
# generated using pymatgen data_Pr(AlSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25210479 _cell_length_b 4.25210479 _cell_length_c 6.86230200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001235 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Pr(AlSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25210479 _cell_length_b 4.25210479 _cell_length_c 6.86230200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,624
27,863
mp-550908
-3.800082
3.6764
SrHfO3
0.01287
['Sr', 'Hf', 'O']
# generated using pymatgen data_SrHfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77705100 _cell_length_b 5.77705100 _cell_length_c 4.17304600 _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_SrHfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77705100 _cell_length_b 5.77705100 _cell_length_c 4.17304600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,625
20,234
mp-2000
-0.397911
0
CuSe2
0
['Cu', 'Se']
# generated using pymatgen data_CuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81095700 _cell_length_b 5.04209200 _cell_length_c 6.21856300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
58
58
# generated using pymatgen data_CuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81095700 _cell_length_b 5.04209200 _cell_length_c 6.21856300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
23,626
23,591
mp-1185071
-0.10373
0
LaNdMg2
0.005559
['La', 'Mg', 'Nd']
# generated using pymatgen data_LaNdMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54756100 _cell_length_b 5.54756100 _cell_length_c 5.54756100 _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_LaNdMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84543600 _cell_length_b 7.84543600 _cell_length_c 7.84543600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,627
31,074
mp-1113717
-1.597563
1.0256
Rb2AgMoCl6
0.022125
['Ag', 'Cl', 'Mo', 'Rb']
# generated using pymatgen data_Rb2AgMoCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36299543 _cell_length_b 7.36299543 _cell_length_c 7.36299543 _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_Rb2AgMoCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.41284800 _cell_length_b 10.41284800 _cell_length_c 10.41284800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,628
7,564
mp-1104047
-0.372295
0
Al4Tc
0
['Al', 'Tc']
# generated using pymatgen data_Al4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17735871 _cell_length_b 9.17735871 _cell_length_c 5.17034908 _cell_angle_alpha 86.83738184 _cell_angle_beta 86.83738184 _cell_angle_gamma 147.08131371 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_Al4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20053200 _cell_length_b 17.60256000 _cell_length_c 5.17034908 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.22818227 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,629
10,226
mp-14304
-2.182664
2.1437
Lu2MgS4
0
['Lu', 'Mg', 'S']
# generated using pymatgen data_Lu2MgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77414974 _cell_length_b 7.77414974 _cell_length_c 7.77414974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
227
227
# generated using pymatgen data_Lu2MgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99430800 _cell_length_b 10.99430800 _cell_length_c 10.99430800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,630
33,851
mp-30922
-0.456683
0
Ho6CoBi2
0.029158
['Bi', 'Co', 'Ho']
# generated using pymatgen data_Ho6CoBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36219089 _cell_length_b 8.36219089 _cell_length_c 4.07608800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000705 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
189
189
# generated using pymatgen data_Ho6CoBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36219089 _cell_length_b 8.36219089 _cell_length_c 4.07608800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,631
5,876
mp-568191
-1.765144
1.1541
SrLuCuSe3
0
['Cu', 'Lu', 'Se', 'Sr']
# generated using pymatgen data_SrLuCuSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07137180 _cell_length_b 7.07137180 _cell_length_c 10.44620200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.63921654 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
63
63
# generated using pymatgen data_SrLuCuSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05943000 _cell_length_b 13.54762801 _cell_length_c 10.44620200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,632
35,381
mp-569471
-0.404045
0
UB2C
0.034079
['B', 'C', 'U']
# generated using pymatgen data_UB2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50577200 _cell_length_b 4.10153800 _cell_length_c 6.01141300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UB...
51
51
# generated using pymatgen data_UB2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50577200 _cell_length_b 4.10153800 _cell_length_c 6.01141300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UB...
23,633
30,136
mp-1206445
0.01915
0
ReW3
0.01915
['Re', 'W']
# generated using pymatgen data_ReW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05481200 _cell_length_b 5.05481200 _cell_length_c 5.05481200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re...
223
223
# generated using pymatgen data_ReW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05481200 _cell_length_b 5.05481200 _cell_length_c 5.05481200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re...
23,634
14,453
mp-867110
-0.375641
0
Sc2CoOs
0
['Sc', 'Co', 'Os']
# generated using pymatgen data_Sc2CoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50527570 _cell_length_b 4.50527570 _cell_length_c 4.50527570 _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_Sc2CoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37142200 _cell_length_b 6.37142200 _cell_length_c 6.37142200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,635
6,675
mp-1211407
-0.643199
0
La3Ni3Bi4
0
['Bi', 'La', 'Ni']
# generated using pymatgen data_La3Ni3Bi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63517221 _cell_length_b 8.63517221 _cell_length_c 8.63517221 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
220
220
# generated using pymatgen data_La3Ni3Bi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97103800 _cell_length_b 9.97103800 _cell_length_c 9.97103800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,636
26,826
mp-20983
-0.342889
0
V2InC
0.010756
['V', 'In', 'C']
# generated using pymatgen data_V2InC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02496429 _cell_length_b 3.02496429 _cell_length_c 13.60919000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000626 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_V2InC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02496429 _cell_length_b 3.02496429 _cell_length_c 13.60919000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,637
3,226
mp-13406
-0.502747
0
LaAgPb
0
['Ag', 'La', 'Pb']
# generated using pymatgen data_LaAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95583165 _cell_length_b 4.95583165 _cell_length_c 7.92033400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999527 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_LaAgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95583165 _cell_length_b 4.95583165 _cell_length_c 7.92033400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,638
12,725
mp-17236
-0.311095
0
Ba(Ni2B)6
0
['B', 'Ba', 'Ni']
# generated using pymatgen data_Ba(Ni2B)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11471723 _cell_length_b 6.11471723 _cell_length_c 6.11471688 _cell_angle_alpha 104.60375661 _cell_angle_beta 104.60375661 _cell_angle_gamma 104.60376422 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
166
166
# generated using pymatgen data_Ba(Ni2B)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67646161 _cell_length_b 9.67646161 _cell_length_c 7.45695433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,639
44,512
mp-1027302
-0.921133
0.2853
Te2Mo3W(SeS2)2
0.076423
['Mo', 'S', 'Se', 'Te', 'W']
# generated using pymatgen data_Te2Mo3W(SeS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30561426 _cell_length_b 3.30561426 _cell_length_c 37.60197800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000522 _symmetry_Int_Tables_number 1 _chemical_formula_str...
156
156
# generated using pymatgen data_Te2Mo3W(SeS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30561426 _cell_length_b 3.30561426 _cell_length_c 37.60197800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
23,640
17,721
mp-13170
-3.01117
2.7273
KNaGdNbO5
0
['Gd', 'K', 'Na', 'Nb', 'O']
# generated using pymatgen data_KNaGdNbO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72115400 _cell_length_b 5.72115400 _cell_length_c 8.36856800 _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_KNaGdNbO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72115400 _cell_length_b 5.72115400 _cell_length_c 8.36856800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,641
14,310
mp-23969
-1.350847
2.7214
ZnH2SeO5
0
['H', 'O', 'Se', 'Zn']
# generated using pymatgen data_ZnH2SeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41962510 _cell_length_b 5.41962510 _cell_length_c 7.75987460 _cell_angle_alpha 73.63835506 _cell_angle_beta 73.63835506 _cell_angle_gamma 98.59556203 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_ZnH2SeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06857601 _cell_length_b 8.21733401 _cell_length_c 7.75987460 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.59260520 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,642
1,198
mp-1213692
-0.539923
0.401
CsAg3Te2
0
['Ag', 'Cs', 'Te']
# generated using pymatgen data_CsAg3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21735676 _cell_length_b 9.21735676 _cell_length_c 9.64149004 _cell_angle_alpha 68.79924136 _cell_angle_beta 68.79924136 _cell_angle_gamma 29.48336506 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_CsAg3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.82789600 _cell_length_b 4.69092600 _cell_length_c 9.64149004 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.95919292 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,643
6,966
mp-867371
-1.510503
0.7914
K2Y4Cu4Se9
0
['Cu', 'K', 'Se', 'Y']
# generated using pymatgen data_K2Y4Cu4Se9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46931931 _cell_length_b 7.46931931 _cell_length_c 16.55627114 _cell_angle_alpha 71.38725369 _cell_angle_beta 71.38725369 _cell_angle_gamma 32.04369378 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_K2Y4Cu4Se9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.35836999 _cell_length_b 4.12312200 _cell_length_c 16.55627114 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.39439476 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,644
11,062
mp-1103550
-0.556185
0
NdGaNi
0
['Ga', 'Nd', 'Ni']
# generated using pymatgen data_NdGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36626000 _cell_length_b 7.08927900 _cell_length_c 7.48457100 _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_NdGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36626000 _cell_length_b 7.08927900 _cell_length_c 7.48457100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,645
30,246
mp-1225733
0.010064
0
Cu6SnGe
0.018745
['Cu', 'Ge', 'Sn']
# generated using pymatgen data_Cu6SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27350600 _cell_length_b 4.63837100 _cell_length_c 5.54169600 _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_Cu6SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27350600 _cell_length_b 4.63837100 _cell_length_c 5.54169600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,646
6,920
mp-755340
-3.484886
2.3075
Tb2SeO2
0
['O', 'Se', 'Tb']
# generated using pymatgen data_Tb2SeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87354443 _cell_length_b 3.87354443 _cell_length_c 6.87125600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000730 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Tb2SeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87354443 _cell_length_b 3.87354443 _cell_length_c 6.87125600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,647
27,697
mp-1216295
-0.24525
0
VRe11B4
0.013195
['B', 'Re', 'V']
# generated using pymatgen data_VRe11B4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89740298 _cell_length_b 4.89740298 _cell_length_c 14.63330600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.14922113 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
38
38
# generated using pymatgen data_VRe11B4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93318800 _cell_length_b 9.34529999 _cell_length_c 14.63330600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,648
1,175
mp-1207399
-1.209069
0.3712
Zr3Tl2(CuSe4)2
0
['Cu', 'Se', 'Tl', 'Zr']
# generated using pymatgen data_Zr3Tl2(CuSe4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68915979 _cell_length_b 7.68915979 _cell_length_c 14.53415874 _cell_angle_alpha 66.36673968 _cell_angle_beta 66.36673968 _cell_angle_gamma 29.06284213 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
12
12
# generated using pymatgen data_Zr3Tl2(CuSe4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.88637000 _cell_length_b 3.85858800 _cell_length_c 14.53415874 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.46446607 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_st...
23,649
43,291
mp-21025
-2.454338
0
Nd2Cu2O5
0.068852
['Cu', 'Nd', 'O']
# generated using pymatgen data_Nd2Cu2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79030600 _cell_length_b 5.72467600 _cell_length_c 10.15231300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
55
55
# generated using pymatgen data_Nd2Cu2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79030600 _cell_length_b 5.72467600 _cell_length_c 10.15231300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,650
42,274
mp-1247228
-1.57142
0
LuMgMnS4
0.065055
['Lu', 'Mg', 'Mn', 'S']
# generated using pymatgen data_LuMgMnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66204758 _cell_length_b 7.50809046 _cell_length_c 7.51047772 _cell_angle_alpha 60.33171411 _cell_angle_beta 59.30738974 _cell_angle_gamma 59.32906605 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_LuMgMnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54690333 _cell_length_b 7.66204758 _cell_length_c 10.48199331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,651
26,397
mp-669556
-0.58284
0
Pu5Pt3
0.010154
['Pt', 'Pu']
# generated using pymatgen data_Pu5Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51997853 _cell_length_b 8.51997853 _cell_length_c 6.02231100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000412 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Pu5Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51997853 _cell_length_b 8.51997853 _cell_length_c 6.02231100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,652
409
mp-1095502
-0.422528
0
TaCoGe
0
['Co', 'Ge', 'Ta']
# generated using pymatgen data_TaCoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74312200 _cell_length_b 6.32793600 _cell_length_c 7.16439900 _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_TaCoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74312200 _cell_length_b 6.32793600 _cell_length_c 7.16439900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,653
32,677
mp-1216837
-0.481591
0
Tl2FeCu3S4
0.027028
['Cu', 'Fe', 'S', 'Tl']
# generated using pymatgen data_Tl2FeCu3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83837300 _cell_length_b 3.83837300 _cell_length_c 13.68851600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
115
115
# generated using pymatgen data_Tl2FeCu3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83837300 _cell_length_b 3.83837300 _cell_length_c 13.68851600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,654
29,731
mp-1218364
-3.535887
2.026
SrCaTi2O6
0.018282
['Ca', 'O', 'Sr', 'Ti']
# generated using pymatgen data_SrCaTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54473021 _cell_length_b 5.54473021 _cell_length_c 7.78643400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.72437174 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_SrCaTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79170799 _cell_length_b 7.89084399 _cell_length_c 7.78643400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,655
42,767
mp-1237608
-1.340915
0.2706
UBr4(NO2)2
0.066187
['Br', 'N', 'O', 'U']
# generated using pymatgen data_UBr4(NO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24376682 _cell_length_b 7.09396433 _cell_length_c 7.65453070 _cell_angle_alpha 110.12212278 _cell_angle_beta 73.60796206 _cell_angle_gamma 113.35938900 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
2
2
# generated using pymatgen data_UBr4(NO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24376682 _cell_length_b 7.09396433 _cell_length_c 7.65453070 _cell_angle_alpha 69.87787722 _cell_angle_beta 73.60796206 _cell_angle_gamma 66.64061100 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,656
35,576
mp-1112219
-1.559557
0.9407
K2CuSbCl6
0.03718
['Cl', 'Cu', 'K', 'Sb']
# generated using pymatgen data_K2CuSbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32097066 _cell_length_b 7.32097066 _cell_length_c 7.32097066 _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_K2CuSbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.35341600 _cell_length_b 10.35341600 _cell_length_c 10.35341600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,657
35,079
mp-1114605
-1.010203
0.9095
Rb2TlAsI6
0.034766
['As', 'I', 'Rb', 'Tl']
# generated using pymatgen data_Rb2TlAsI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72617710 _cell_length_b 8.72617710 _cell_length_c 8.72617710 _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_Rb2TlAsI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.34067800 _cell_length_b 12.34067800 _cell_length_c 12.34067800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,658
40,216
mp-1223019
-0.105939
0
LaC2
0.055564
['C', 'La']
# generated using pymatgen data_LaC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16261292 _cell_length_b 4.16261292 _cell_length_c 4.16261292 _cell_angle_alpha 81.62291068 _cell_angle_beta 71.60312790 _cell_angle_gamma 122.59622820 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
71
71
# generated using pymatgen data_LaC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99820943 _cell_length_b 4.87008906 _cell_length_c 5.44113400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La...
23,659
41,461
mp-849768
-1.766426
0
Li3CrCo3O8
0.060499
['Co', 'Cr', 'Li', 'O']
# generated using pymatgen data_Li3CrCo3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84796443 _cell_length_b 5.84796443 _cell_length_c 5.84796434 _cell_angle_alpha 58.23076253 _cell_angle_beta 58.23076253 _cell_angle_gamma 58.23077046 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li3CrCo3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69088762 _cell_length_b 5.69088762 _cell_length_c 14.51308331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,660
27,570
mp-11231
-0.424922
0
YAl3
0.012949
['Y', 'Al']
# generated using pymatgen data_YAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26223300 _cell_length_b 4.26223300 _cell_length_c 4.26223300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YA...
221
221
# generated using pymatgen data_YAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26223300 _cell_length_b 4.26223300 _cell_length_c 4.26223300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YA...
23,661
44,171
mp-1209075
-1.127913
0
RbYbZnTe3
0.075103
['Rb', 'Te', 'Yb', 'Zn']
# generated using pymatgen data_RbYbZnTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80915147 _cell_length_b 8.80915147 _cell_length_c 11.75148200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.92776862 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
63
63
# generated using pymatgen data_RbYbZnTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27302800 _cell_length_b 17.09227399 _cell_length_c 11.75148200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,662
8,841
mp-30612
-0.647701
0
Er7Rh3
0
['Er', 'Rh']
# generated using pymatgen data_Er7Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72945012 _cell_length_b 9.72945012 _cell_length_c 6.11311600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000080 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_Er7Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72945012 _cell_length_b 9.72945012 _cell_length_c 6.11311600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,663
35,469
mp-777840
-2.729653
3.2793
LiFe(SiO3)2
0.034436
['Fe', 'Li', 'O', 'Si']
# generated using pymatgen data_LiFe(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23348274 _cell_length_b 5.23348274 _cell_length_c 10.63683730 _cell_angle_alpha 76.15115923 _cell_angle_beta 76.15115923 _cell_angle_gamma 89.28450860 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
9
9
# generated using pymatgen data_LiFe(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44733000 _cell_length_b 7.35490600 _cell_length_c 10.63683730 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.65853989 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,664
37,067
mp-1111140
-2.58048
0
K3NiF6
0.042434
['F', 'K', 'Ni']
# generated using pymatgen data_K3NiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19053700 _cell_length_b 6.19053699 _cell_length_c 6.19053698 _cell_angle_alpha 59.99999636 _cell_angle_beta 59.99999455 _cell_angle_gamma 59.99999458 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
225
225
# generated using pymatgen data_K3NiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75474105 _cell_length_b 8.75474105 _cell_length_c 8.75474105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,665
21,771
mp-1228160
-3.112461
5.1274
Ba3P4O13
0.002117
['Ba', 'O', 'P']
# generated using pymatgen data_Ba3P4O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77714800 _cell_length_b 7.36389390 _cell_length_c 8.20382378 _cell_angle_alpha 82.56684399 _cell_angle_beta 75.75957075 _cell_angle_gamma 70.30241909 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Ba3P4O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77714800 _cell_length_b 7.36389390 _cell_length_c 8.20382378 _cell_angle_alpha 82.56684399 _cell_angle_beta 75.75957075 _cell_angle_gamma 70.30241909 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,666
38,424
mp-757238
-2.761222
1.1868
GdAsO4
0.04617
['As', 'Gd', 'O']
# generated using pymatgen data_GdAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19941400 _cell_length_b 4.84868000 _cell_length_c 4.84904187 _cell_angle_alpha 83.18800267 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_GdAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84868000 _cell_length_b 7.19941400 _cell_length_c 4.84904187 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.81199733 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,667
33,727
mp-1220517
-0.944298
0
Nb4Co(CS2)2
0.029503
['C', 'Co', 'Nb', 'S']
# generated using pymatgen data_Nb4Co(CS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33465100 _cell_length_b 5.73922200 _cell_length_c 8.52961682 _cell_angle_alpha 77.36761505 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
10
10
# generated using pymatgen data_Nb4Co(CS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73922200 _cell_length_b 3.33465100 _cell_length_c 8.52961682 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.63238495 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,668
8,910
mp-642644
-0.198217
0
V2H
0
['V', 'H']
# generated using pymatgen data_V2H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66696892 _cell_length_b 2.66696892 _cell_length_c 4.44359888 _cell_angle_alpha 83.90276366 _cell_angle_beta 83.90276366 _cell_angle_gamma 67.19045380 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2H...
12
12
# generated using pymatgen data_V2H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44299601 _cell_length_b 2.95138601 _cell_length_c 4.44359888 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.32603652 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2H...
23,669
9,053
mp-1095472
-0.891626
0
ZrGeIr
0
['Ge', 'Ir', 'Zr']
# generated using pymatgen data_ZrGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07845700 _cell_length_b 6.62580600 _cell_length_c 7.60323400 _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_ZrGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07845700 _cell_length_b 6.62580600 _cell_length_c 7.60323400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,670
24,741
mp-1225403
-0.934624
1.2722
Dy(CuSe)3
0.007456
['Cu', 'Dy', 'Se']
# generated using pymatgen data_Dy(CuSe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70480492 _cell_length_b 7.70480492 _cell_length_c 7.70480540 _cell_angle_alpha 53.99660786 _cell_angle_beta 53.99660786 _cell_angle_gamma 53.99660761 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_Dy(CuSe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99541013 _cell_length_b 6.99541013 _cell_length_c 19.68422977 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,671
23,616
mp-1187402
-0.264188
0
ThAlCu2
0.005348
['Al', 'Cu', 'Th']
# generated using pymatgen data_ThAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70298983 _cell_length_b 4.70298983 _cell_length_c 4.70298983 _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_ThAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65103200 _cell_length_b 6.65103200 _cell_length_c 6.65103200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,672
18,627
mp-12058
-1.031462
0
Er(PRu)2
0
['Er', 'P', 'Ru']
# generated using pymatgen data_Er(PRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54782313 _cell_length_b 5.54782313 _cell_length_c 5.54782313 _cell_angle_alpha 137.15109776 _cell_angle_beta 137.15109776 _cell_angle_gamma 62.20565176 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Er(PRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05295200 _cell_length_b 4.05295200 _cell_length_c 9.50055399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,673
18,172
mp-1209823
-0.481918
0
Ni2PPd
0
['Ni', 'P', 'Pd']
# generated using pymatgen data_Ni2PPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57853977 _cell_length_b 4.57853977 _cell_length_c 6.55722000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.43276013 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Ni2PPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47228800 _cell_length_b 8.47321201 _cell_length_c 6.55722000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,674
4,486
mp-978857
-2.042306
2.2989
SrHgO2
0
['Hg', 'O', 'Sr']
# generated using pymatgen data_SrHgO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79838103 _cell_length_b 6.79838103 _cell_length_c 6.79838099 _cell_angle_alpha 33.33543616 _cell_angle_beta 33.33543616 _cell_angle_gamma 33.33543316 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_SrHgO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89983416 _cell_length_b 3.89983416 _cell_length_c 19.24410921 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,675
3,582
mp-1105932
-0.228104
0.218
Li2MgSi
0
['Li', 'Mg', 'Si']
# generated using pymatgen data_Li2MgSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36734900 _cell_length_b 6.36734900 _cell_length_c 6.36734900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
215
215
# generated using pymatgen data_Li2MgSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36734900 _cell_length_b 6.36734900 _cell_length_c 6.36734900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,676
37,550
mp-1101261
-2.213218
0
VCr2O6
0.044458
['Cr', 'O', 'V']
# generated using pymatgen data_VCr2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55332900 _cell_length_b 4.55332900 _cell_length_c 8.85673200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
136
136
# generated using pymatgen data_VCr2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55332900 _cell_length_b 4.55332900 _cell_length_c 8.85673200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,677
37,211
mp-1218854
-2.547213
0
Sr2CeYCu2RuO10
0.042661
['Ce', 'Cu', 'O', 'Ru', 'Sr', 'Y']
# generated using pymatgen data_Sr2CeYCu2RuO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.89575256 _cell_length_b 14.89575256 _cell_length_c 14.89575256 _cell_angle_alpha 165.10828077 _cell_angle_beta 165.10828077 _cell_angle_gamma 21.12021496 _symmetry_Int_Tables_number 1 _chemical_formula_...
107
107
# generated using pymatgen data_Sr2CeYCu2RuO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86066000 _cell_length_b 3.86066000 _cell_length_c 29.28693200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
23,678
37,688
mp-1216930
-1.962521
0
TiFe5O8
0.045348
['Fe', 'O', 'Ti']
# generated using pymatgen data_TiFe5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09560995 _cell_length_b 6.09560995 _cell_length_c 6.09560946 _cell_angle_alpha 59.69200590 _cell_angle_beta 59.69200590 _cell_angle_gamma 59.69199622 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_TiFe5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06721033 _cell_length_b 6.06721033 _cell_length_c 14.96579435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,679
20,648
mp-1216439
-0.175713
0
V6CoNi
0.000511
['Co', 'Ni', 'V']
# generated using pymatgen data_V6CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65114800 _cell_length_b 4.65114800 _cell_length_c 4.65114800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
200
200
# generated using pymatgen data_V6CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65114800 _cell_length_b 4.65114800 _cell_length_c 4.65114800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,680
18,931
mp-8479
-0.759244
2.0501
Tl4SiS4
0
['S', 'Si', 'Tl']
# generated using pymatgen data_Tl4SiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75744255 _cell_length_b 8.75744255 _cell_length_c 7.80755750 _cell_angle_alpha 72.29889034 _cell_angle_beta 72.29889034 _cell_angle_gamma 84.38294774 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
9
9
# generated using pymatgen data_Tl4SiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.97685800 _cell_length_b 11.76317800 _cell_length_c 7.80755750 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.22863203 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,681
4,301
mp-27496
-3.903174
0
YUO4
0
['O', 'U', 'Y']
# generated using pymatgen data_YUO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78802300 _cell_length_b 3.78802300 _cell_length_c 5.38699300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YU...
123
123
# generated using pymatgen data_YUO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78802300 _cell_length_b 3.78802300 _cell_length_c 5.38699300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YU...
23,682
377
mp-23083
-1.712931
2.8419
KAs4BrO6
0
['As', 'Br', 'K', 'O']
# generated using pymatgen data_KAs4BrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34714576 _cell_length_b 5.34714576 _cell_length_c 9.23111000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999707 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
191
191
# generated using pymatgen data_KAs4BrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34714576 _cell_length_b 5.34714576 _cell_length_c 9.23111000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,683
68
mp-867500
-1.273908
0
PuI2
0
['I', 'Pu']
# generated using pymatgen data_PuI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79224000 _cell_length_b 7.79224000 _cell_length_c 4.57504000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu...
136
136
# generated using pymatgen data_PuI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79224000 _cell_length_b 7.79224000 _cell_length_c 4.57504000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu...
23,684
1,884
mp-615314
-0.323104
0
ScCoC2
0
['Sc', 'Co', 'C']
# generated using pymatgen data_ScCoC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36717300 _cell_length_b 3.36717300 _cell_length_c 7.16759600 _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_ScCoC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36717300 _cell_length_b 3.36717300 _cell_length_c 7.16759600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,685
23,220
mp-1222955
-3.156239
2.4396
LaPrCr2O6
0.004358
['Cr', 'La', 'O', 'Pr']
# generated using pymatgen data_LaPrCr2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56844900 _cell_length_b 5.59880700 _cell_length_c 7.88302900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26
26
# generated using pymatgen data_LaPrCr2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56844900 _cell_length_b 5.59880700 _cell_length_c 7.88302900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,686
44,580
mp-1095546
-1.822039
0
ReO2
0.076082
['O', 'Re']
# generated using pymatgen data_ReO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88113300 _cell_length_b 5.60349000 _cell_length_c 5.66217033 _cell_angle_alpha 60.03119458 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re...
14
14
# generated using pymatgen data_ReO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60349000 _cell_length_b 4.88113300 _cell_length_c 5.66217033 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.96880542 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
23,687
10,225
mp-1400
-0.172366
0
HfW2
0
['Hf', 'W']
# generated using pymatgen data_HfW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39304968 _cell_length_b 5.39304968 _cell_length_c 5.39304968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
227
227
# generated using pymatgen data_HfW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62692400 _cell_length_b 7.62692400 _cell_length_c 7.62692400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
23,688
40,671
mp-1216116
-3.360791
3.3291
Y2ZrWO8
0.058074
['O', 'W', 'Y', 'Zr']
# generated using pymatgen data_Y2ZrWO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67296266 _cell_length_b 6.67296266 _cell_length_c 6.67296266 _cell_angle_alpha 133.24890806 _cell_angle_beta 133.24890806 _cell_angle_gamma 68.26352244 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
82
82
# generated using pymatgen data_Y2ZrWO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29507800 _cell_length_b 5.29507800 _cell_length_c 11.04708200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,689
36,682
mp-1214857
-0.535867
0
AuCl4
0.040175
['Au', 'Cl']
# generated using pymatgen data_AuCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.05154164 _cell_length_b 11.05154164 _cell_length_c 11.05154164 _cell_angle_alpha 126.45209357 _cell_angle_beta 126.45209357 _cell_angle_gamma 79.14635628 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
141
141
# generated using pymatgen data_AuCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95681400 _cell_length_b 9.95681400 _cell_length_c 17.03731200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,690
22,663
mp-1217655
-0.697026
0
Tb4Ni3Ge8
0.00342
['Ge', 'Ni', 'Tb']
# generated using pymatgen data_Tb4Ni3Ge8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10975900 _cell_length_b 4.11742100 _cell_length_c 16.64957400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25
25
# generated using pymatgen data_Tb4Ni3Ge8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10975900 _cell_length_b 4.11742100 _cell_length_c 16.64957400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,691
4,765
mp-20794
-2.598097
3.009
Sr2NiWO6
0
['Ni', 'O', 'Sr', 'W']
# generated using pymatgen data_Sr2NiWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63022902 _cell_length_b 5.67620982 _cell_length_c 9.77837690 _cell_angle_alpha 89.46068933 _cell_angle_beta 73.27293434 _cell_angle_gamma 60.27566187 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
87
87
# generated using pymatgen data_Sr2NiWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63015376 _cell_length_b 5.63015376 _cell_length_c 8.09308003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,692
22,172
mp-1216723
-0.359822
0
U4B3C5
0.003151
['B', 'C', 'U']
# generated using pymatgen data_U4B3C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22825100 _cell_length_b 3.65721300 _cell_length_c 11.84226900 _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_U4B3C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22825100 _cell_length_b 3.65721300 _cell_length_c 11.84226900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,693
17,754
mp-1831
-0.449619
0
SrAu5
0
['Sr', 'Au']
# generated using pymatgen data_SrAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72534370 _cell_length_b 5.72534370 _cell_length_c 4.67509700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999650 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_SrAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72534370 _cell_length_b 5.72534370 _cell_length_c 4.67509700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,694
42,850
mp-675526
-0.132463
0
FeCoAs
0.067747
['As', 'Co', 'Fe']
# generated using pymatgen data_FeCoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58986700 _cell_length_b 6.02202600 _cell_length_c 10.35843300 _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_FeCoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58986700 _cell_length_b 6.02202600 _cell_length_c 10.35843300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,695
18,565
mp-1103033
-0.757474
0
SrMgPt
0
['Mg', 'Pt', 'Sr']
# generated using pymatgen data_SrMgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46795600 _cell_length_b 7.62237700 _cell_length_c 8.64063000 _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_SrMgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46795600 _cell_length_b 7.62237700 _cell_length_c 8.64063000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,696
32,087
mp-1183190
-0.278075
0
AcZn2In
0.024937
['Ac', 'In', 'Zn']
# generated using pymatgen data_AcZn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18096573 _cell_length_b 5.18096573 _cell_length_c 5.18096573 _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_AcZn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32699200 _cell_length_b 7.32699200 _cell_length_c 7.32699200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,697
12,750
mp-21234
-0.469544
0
EuZnSi
0
['Eu', 'Si', 'Zn']
# generated using pymatgen data_EuZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27166217 _cell_length_b 4.27166217 _cell_length_c 8.43529800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000257 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_EuZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27166217 _cell_length_b 4.27166217 _cell_length_c 8.43529800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,698
27,403
mp-6782
-2.496665
2.8763
Li2ZrTeO6
0.012302
['Li', 'O', 'Te', 'Zr']
# generated using pymatgen data_Li2ZrTeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57863145 _cell_length_b 5.57863145 _cell_length_c 5.57863095 _cell_angle_alpha 56.09073901 _cell_angle_beta 56.09073901 _cell_angle_gamma 56.09073071 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
146
146
# generated using pymatgen data_Li2ZrTeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24581624 _cell_length_b 5.24581624 _cell_length_c 14.05469233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,699
45,224
mvc-14096
-1.550684
0
Cu3(GeO3)4
0.079638
['Cu', 'Ge', 'O']
# generated using pymatgen data_Cu3(GeO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27032703 _cell_length_b 6.27032703 _cell_length_c 6.27032703 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
204
204
# generated using pymatgen data_Cu3(GeO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24035000 _cell_length_b 7.24035000 _cell_length_c 7.24035000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...