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
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e_above_hull
float64
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0.08
elements
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cif
stringlengths
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1.73k
spacegroup.number
int64
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spacegroup.number.conv
int64
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cif.conv
stringlengths
696
5.07k
25,700
40,235
mp-1225767
-0.033792
0
Dy(Co5Mo)2
0.056121
['Co', 'Dy', 'Mo']
# generated using pymatgen data_Dy(Co5Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68077300 _cell_length_b 6.41976553 _cell_length_c 6.41976553 _cell_angle_alpha 97.55527122 _cell_angle_beta 111.38048079 _cell_angle_gamma 68.61951921 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Dy(Co5Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68077300 _cell_length_b 8.44717800 _cell_length_c 8.46103400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,701
31,453
mp-8275
-1.843591
1.3882
CdGeO3
0.022097
['Cd', 'Ge', 'O']
# generated using pymatgen data_CdGeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90404287 _cell_length_b 5.90404287 _cell_length_c 5.90404356 _cell_angle_alpha 52.19537208 _cell_angle_beta 52.19537208 _cell_angle_gamma 52.19538096 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_CdGeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19441174 _cell_length_b 5.19441174 _cell_length_c 15.25692587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,702
37,963
mp-8860
-0.369876
0.1166
Na3As
0.044227
['Na', 'As']
# generated using pymatgen data_Na3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07301032 _cell_length_b 5.07301032 _cell_length_c 5.07301032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
225
225
# generated using pymatgen data_Na3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17432000 _cell_length_b 7.17432000 _cell_length_c 7.17432000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,703
7,654
mp-1208221
-0.977874
0
Ti5Te8
0
['Te', 'Ti']
# generated using pymatgen data_Ti5Te8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50198056 _cell_length_b 7.50198056 _cell_length_c 9.23279485 _cell_angle_alpha 54.53707481 _cell_angle_beta 54.53707481 _cell_angle_gamma 63.38387667 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ti5Te8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.76664600 _cell_length_b 7.88236000 _cell_length_c 9.23279485 _cell_angle_alpha 90.00000000 _cell_angle_beta 132.98838529 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,704
8,278
mp-2674
-1.08426
0
YPt2
0
['Y', 'Pt']
# generated using pymatgen data_YPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44968752 _cell_length_b 5.44968752 _cell_length_c 5.44968752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YP...
227
227
# generated using pymatgen data_YPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70702200 _cell_length_b 7.70702200 _cell_length_c 7.70702200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YP...
25,705
35,665
mp-1208923
-0.268911
0
Sr(TlHg)2
0.036715
['Hg', 'Sr', 'Tl']
# generated using pymatgen data_Sr(TlHg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.94689200 _cell_length_b 10.94689200 _cell_length_c 5.03129300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
136
136
# generated using pymatgen data_Sr(TlHg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.94689200 _cell_length_b 10.94689200 _cell_length_c 5.03129300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,706
34,638
mp-1185830
-0.030467
0
Mg5In
0.033939
['In', 'Mg']
# generated using pymatgen data_Mg5In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49379920 _cell_length_b 8.49379920 _cell_length_c 5.17881000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.15879128 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_Mg5In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21827600 _cell_length_b 16.67996400 _cell_length_c 5.17881000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,707
15,030
mp-1078005
-0.190853
0
K(Cu2Sb)2
0
['Cu', 'K', 'Sb']
# generated using pymatgen data_K(Cu2Sb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37157844 _cell_length_b 9.37157844 _cell_length_c 9.37157889 _cell_angle_alpha 26.60654696 _cell_angle_beta 26.60654696 _cell_angle_gamma 26.60654422 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_K(Cu2Sb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31290027 _cell_length_b 4.31290027 _cell_length_c 27.10415169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,708
37,801
mp-1516972
-2.759601
0.4069
SrEuVWO6
0.0453
['Eu', 'O', 'Sr', 'V', 'W']
# generated using pymatgen data_SrEuVWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70431693 _cell_length_b 5.70431693 _cell_length_c 5.70431693 _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_SrEuVWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06712237 _cell_length_b 8.06712237 _cell_length_c 8.06712237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,709
1,838
mp-4805
-3.531182
2.0423
Gd2SO2
0
['Gd', 'O', 'S']
# generated using pymatgen data_Gd2SO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86870405 _cell_length_b 3.86870405 _cell_length_c 6.69502300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000083 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Gd2SO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86870405 _cell_length_b 3.86870405 _cell_length_c 6.69502300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,710
2,029
mp-10521
-0.418217
0
Y(AlGe)2
0
['Y', 'Al', 'Ge']
# generated using pymatgen data_Y(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29085574 _cell_length_b 4.29085574 _cell_length_c 6.62146100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999599 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Y(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29085574 _cell_length_b 4.29085574 _cell_length_c 6.62146100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,711
29,414
mp-71
0.017193
0
Yb
0.017193
['Yb']
# generated using pymatgen data_Yb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72647787 _cell_length_b 3.72647787 _cell_length_c 3.72647787 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
229
229
# generated using pymatgen data_Yb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30296600 _cell_length_b 4.30296600 _cell_length_c 4.30296600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb _...
25,712
15,924
mp-755428
-1.594204
1.2272
Rb3ClO
0
['Cl', 'O', 'Rb']
# generated using pymatgen data_Rb3ClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35599400 _cell_length_b 9.06987500 _cell_length_c 15.94175200 _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_Rb3ClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35599400 _cell_length_b 9.06987500 _cell_length_c 15.94175200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,713
7,536
mp-1080693
-0.384096
0.8429
Cs2Bi2Pd
0
['Bi', 'Cs', 'Pd']
# generated using pymatgen data_Cs2Bi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58962228 _cell_length_b 8.58962228 _cell_length_c 7.17007400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 123.98763113 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_Cs2Bi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06680400 _cell_length_b 15.16750200 _cell_length_c 7.17007400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,714
10,848
mp-556639
-3.571248
3.5081
DyNbO4
0
['Dy', 'Nb', 'O']
# generated using pymatgen data_DyNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61424784 _cell_length_b 6.61424784 _cell_length_c 5.14675750 _cell_angle_alpha 68.89883430 _cell_angle_beta 68.89883430 _cell_angle_gamma 114.53823319 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_DyNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15256600 _cell_length_b 11.12806800 _cell_length_c 5.14675750 _cell_angle_alpha 90.00000000 _cell_angle_beta 131.74682990 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,715
44,578
mp-1094983
-0.020109
0
Mg5Bi
0.076216
['Bi', 'Mg']
# generated using pymatgen data_Mg5Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81842177 _cell_length_b 5.81842177 _cell_length_c 5.05577900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999742 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_Mg5Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81842177 _cell_length_b 5.81842177 _cell_length_c 5.05577900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,716
29,059
mp-1104450
-0.676628
0
Dy3Ga9Pt2
0.0173
['Dy', 'Ga', 'Pt']
# generated using pymatgen data_Dy3Ga9Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19875594 _cell_length_b 8.19875594 _cell_length_c 8.19875594 _cell_angle_alpha 149.93080273 _cell_angle_beta 106.18299125 _cell_angle_gamma 81.71327483 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Dy3Ga9Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25355200 _cell_length_b 9.84734400 _cell_length_c 12.40223800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,717
13,946
mp-865562
-0.334433
0
Be3Ru
0
['Be', 'Ru']
# generated using pymatgen data_Be3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37612553 _cell_length_b 4.37612553 _cell_length_c 4.37612553 _cell_angle_alpha 137.39229852 _cell_angle_beta 137.39229852 _cell_angle_gamma 61.83500808 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Be3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17981400 _cell_length_b 3.17981400 _cell_length_c 7.50862600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,718
16,067
mp-1103978
-0.641093
0
Tb5Ir2
0
['Ir', 'Tb']
# generated using pymatgen data_Tb5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52391200 _cell_length_b 7.20496471 _cell_length_c 8.59837099 _cell_angle_alpha 96.24996244 _cell_angle_beta 112.29460684 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Tb5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.91120696 _cell_length_b 6.52391200 _cell_length_c 7.20496471 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.75718878 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,719
20,432
mp-8579
-1.068254
0.8761
Ba(AgS)2
0.000001
['Ba', 'Ag', 'S']
# generated using pymatgen data_Ba(AgS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42511971 _cell_length_b 4.42511971 _cell_length_c 7.28096500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999567 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Ba(AgS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42511971 _cell_length_b 4.42511971 _cell_length_c 7.28096500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,720
23,285
mp-1275341
-2.223901
0.0607
CaFeO3
0.00462
['Ca', 'Fe', 'O']
# generated using pymatgen data_CaFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37098506 _cell_length_b 5.50277701 _cell_length_c 7.66960104 _cell_angle_alpha 89.99956389 _cell_angle_beta 88.82901138 _cell_angle_gamma 90.00498281 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_CaFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37098506 _cell_length_b 5.50277701 _cell_length_c 9.27289558 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.21574375 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,721
5,659
mp-1207102
-0.374598
0
Sr(AlGa)2
0
['Al', 'Ga', 'Sr']
# generated using pymatgen data_Sr(AlGa)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36113387 _cell_length_b 6.36113387 _cell_length_c 6.36113387 _cell_angle_alpha 139.37789394 _cell_angle_beta 139.37789394 _cell_angle_gamma 58.79910748 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Sr(AlGa)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41611000 _cell_length_b 4.41611000 _cell_length_c 11.08386401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,722
6,304
mp-3395
-2.316244
3.7241
SrSeO3
0
['O', 'Se', 'Sr']
# generated using pymatgen data_SrSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59508600 _cell_length_b 4.49308000 _cell_length_c 6.74076438 _cell_angle_alpha 71.85323047 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_SrSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49308000 _cell_length_b 5.59508600 _cell_length_c 6.74076438 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.14676953 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,723
36,426
mp-760179
-1.278076
0
Cu3(OF)2
0.037638
['Cu', 'F', 'O']
# generated using pymatgen data_Cu3(OF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59004014 _cell_length_b 6.10967800 _cell_length_c 5.29879322 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.97014864 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Cu3(OF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29879322 _cell_length_b 6.10967800 _cell_length_c 5.59004014 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.97014864 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,724
20,742
mp-1238853
-1.186274
0
TiCrCuS4
0.000644
['Cr', 'Cu', 'S', 'Ti']
# generated using pymatgen data_TiCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05786064 _cell_length_b 7.05786064 _cell_length_c 7.05786064 _cell_angle_alpha 120.92741854 _cell_angle_beta 119.37821631 _cell_angle_gamma 89.74077582 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24
24
# generated using pymatgen data_TiCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95869400 _cell_length_b 7.12408800 _cell_length_c 10.00387601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,725
29,216
mp-1220071
0.012499
0
NiIr
0.016902
['Ir', 'Ni']
# generated using pymatgen data_NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44826505 _cell_length_b 4.44826505 _cell_length_c 4.44826546 _cell_angle_alpha 35.02490601 _cell_angle_beta 35.02490601 _cell_angle_gamma 35.02490241 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni...
166
166
# generated using pymatgen data_NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67708219 _cell_length_b 2.67708219 _cell_length_c 12.51332331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,726
13,235
mp-16259
-0.666568
0
Ca(GeIr)2
0
['Ca', 'Ge', 'Ir']
# generated using pymatgen data_Ca(GeIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01709131 _cell_length_b 6.01709131 _cell_length_c 6.01709131 _cell_angle_alpha 139.18331457 _cell_angle_beta 139.18331457 _cell_angle_gamma 59.09544445 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ca(GeIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19642200 _cell_length_b 4.19642200 _cell_length_c 10.46908000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,727
20,552
mp-1103118
-1.188272
1.0794
RbCuO
0.000627
['Cu', 'O', 'Rb']
# generated using pymatgen data_RbCuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91555100 _cell_length_b 7.43400145 _cell_length_c 7.43400145 _cell_angle_alpha 80.89167802 _cell_angle_beta 66.55483646 _cell_angle_gamma 66.55483646 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
119
119
# generated using pymatgen data_RbCuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64530400 _cell_length_b 9.64530400 _cell_length_c 5.91555100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
25,728
34,945
mp-777846
-3.048594
3.8238
Li2MnF4
0.032656
['F', 'Li', 'Mn']
# generated using pymatgen data_Li2MnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23974600 _cell_length_b 5.22140383 _cell_length_c 9.80223415 _cell_angle_alpha 82.83246579 _cell_angle_beta 89.82758460 _cell_angle_gamma 89.87804319 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
7
7
# generated using pymatgen data_Li2MnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22140383 _cell_length_b 3.23974600 _cell_length_c 10.51546161 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.34837106 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,729
20,446
mp-865227
-0.277506
0
TmMgCd2
0
['Cd', 'Mg', 'Tm']
# generated using pymatgen data_TmMgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07122983 _cell_length_b 5.07122983 _cell_length_c 5.07122983 _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_TmMgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17180200 _cell_length_b 7.17180200 _cell_length_c 7.17180200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,730
20,102
mp-1189550
-0.336939
0
Ce5CuPb3
0
['Ce', 'Cu', 'Pb']
# generated using pymatgen data_Ce5CuPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58792600 _cell_length_b 9.61353703 _cell_length_c 9.61353703 _cell_angle_alpha 119.90351304 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
193
193
# generated using pymatgen data_Ce5CuPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61353703 _cell_length_b 9.61353703 _cell_length_c 6.58792600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,731
21,708
mp-1219038
-1.067884
0
SmUTe6
0.002285
['Sm', 'Te', 'U']
# generated using pymatgen data_SmUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.97490403 _cell_length_b 12.97490403 _cell_length_c 4.39323400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.60776396 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
38
38
# generated using pymatgen data_SmUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37053400 _cell_length_b 25.57911200 _cell_length_c 4.39323400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,732
44,130
mp-1177894
-1.864361
0
Li2MnNiO4
0.075245
['Li', 'Mn', 'Ni', 'O']
# generated using pymatgen data_Li2MnNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17647046 _cell_length_b 5.17647046 _cell_length_c 5.17647046 _cell_angle_alpha 133.90665405 _cell_angle_beta 133.90665405 _cell_angle_gamma 67.23384242 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
119
119
# generated using pymatgen data_Li2MnNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05297800 _cell_length_b 4.05297800 _cell_length_c 8.62149200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,733
43,950
mp-777151
-2.682664
3.6264
LiFe2F7
0.071526
['F', 'Fe', 'Li']
# generated using pymatgen data_LiFe2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18460400 _cell_length_b 5.58297900 _cell_length_c 10.10663785 _cell_angle_alpha 81.17674542 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
13
13
# generated using pymatgen data_LiFe2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58297900 _cell_length_b 5.18460400 _cell_length_c 10.10663785 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.82325458 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,734
45,102
mp-1228861
-0.184773
0
AlNi6Pd
0.079594
['Al', 'Ni', 'Pd']
# generated using pymatgen data_AlNi6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59356100 _cell_length_b 3.59356100 _cell_length_c 7.23280900 _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_AlNi6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59356100 _cell_length_b 3.59356100 _cell_length_c 7.23280900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,735
25,883
mp-5331
-3.111595
5.6178
AlPO4
0.009206
['Al', 'O', 'P']
# generated using pymatgen data_AlPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05499158 _cell_length_b 5.05499158 _cell_length_c 11.16223200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999447 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
152
152
# generated using pymatgen data_AlPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05499158 _cell_length_b 5.05499158 _cell_length_c 11.16223200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,736
31,688
mp-1218171
-2.816053
0.6221
SrNd3(NiO4)2
0.023136
['Nd', 'Ni', 'O', 'Sr']
# generated using pymatgen data_SrNd3(NiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82398597 _cell_length_b 6.82398597 _cell_length_c 5.39620500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.70037519 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
38
38
# generated using pymatgen data_SrNd3(NiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36551800 _cell_length_b 12.54903800 _cell_length_c 5.39620500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,737
28,841
mp-30040
-0.690102
0.0062
BaCdSb2
0.015108
['Ba', 'Cd', 'Sb']
# generated using pymatgen data_BaCdSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.83283712 _cell_length_b 12.83283712 _cell_length_c 12.83283712 _cell_angle_alpha 159.28986175 _cell_angle_beta 159.28986175 _cell_angle_gamma 29.45258050 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
139
139
# generated using pymatgen data_BaCdSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61334800 _cell_length_b 4.61334800 _cell_length_c 24.82258799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,738
25,541
mp-1080495
-0.966459
0
ZrGaPt
0.008941
['Ga', 'Pt', 'Zr']
# generated using pymatgen data_ZrGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19904488 _cell_length_b 7.19904488 _cell_length_c 3.61365400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000806 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_ZrGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19904488 _cell_length_b 7.19904488 _cell_length_c 3.61365400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,739
22,231
mp-1224863
-0.230304
0
GaCo4Ge3
0.003229
['Co', 'Ga', 'Ge']
# generated using pymatgen data_GaCo4Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63850781 _cell_length_b 4.63850781 _cell_length_c 4.63850773 _cell_angle_alpha 89.31366276 _cell_angle_beta 89.31366276 _cell_angle_gamma 89.31367012 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
146
146
# generated using pymatgen data_GaCo4Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52043376 _cell_length_b 6.52043376 _cell_length_c 8.12979853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,740
32,490
mp-997042
-0.950012
0.4035
TlCuO2
0.024846
['Tl', 'Cu', 'O']
# generated using pymatgen data_TlCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48564600 _cell_length_b 5.67506900 _cell_length_c 5.85991479 _cell_angle_alpha 61.67461689 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_TlCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67506900 _cell_length_b 5.48564600 _cell_length_c 5.85991479 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.32538311 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,741
38,502
mp-1017510
-1.038826
0.8469
MgTe
0.04781
['Mg', 'Te']
# generated using pymatgen data_MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24445538 _cell_length_b 4.24445538 _cell_length_c 6.86366700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999026 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
194
194
# generated using pymatgen data_MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24445538 _cell_length_b 4.24445538 _cell_length_c 6.86366700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
25,742
32,596
mp-1183318
-0.266447
0
BaNaTl2
0.026781
['Ba', 'Na', 'Tl']
# generated using pymatgen data_BaNaTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82142345 _cell_length_b 5.82142345 _cell_length_c 5.82142345 _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_BaNaTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23273600 _cell_length_b 8.23273600 _cell_length_c 8.23273600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,743
41,702
mp-1220669
-0.187846
0
Nb3AlCo8
0.06131
['Al', 'Co', 'Nb']
# generated using pymatgen data_Nb3AlCo8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20628441 _cell_length_b 8.20628441 _cell_length_c 8.20628389 _cell_angle_alpha 33.59546226 _cell_angle_beta 33.59546226 _cell_angle_gamma 33.59546175 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
160
160
# generated using pymatgen data_Nb3AlCo8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74313196 _cell_length_b 4.74313196 _cell_length_c 23.20767129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,744
37,441
mp-764715
-3.003602
1.6996
V2OF5
0.04297
['F', 'O', 'V']
# generated using pymatgen data_V2OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63215452 _cell_length_b 8.43586296 _cell_length_c 4.99669425 _cell_angle_alpha 89.90655387 _cell_angle_beta 90.27252980 _cell_angle_gamma 89.06297138 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
1
1
# generated using pymatgen data_V2OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63215452 _cell_length_b 4.89880711 _cell_length_c 4.90581875 _cell_angle_alpha 61.27781962 _cell_angle_beta 89.33316967 _cell_angle_gamma 89.05421297 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
25,745
34,629
mp-1185373
-0.14332
0
LiLu2Co
0.032529
['Co', 'Li', 'Lu']
# generated using pymatgen data_LiLu2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76794749 _cell_length_b 4.76794749 _cell_length_c 4.76794749 _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_LiLu2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74289601 _cell_length_b 6.74289601 _cell_length_c 6.74289601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,746
22,113
mp-1187194
-0.226899
0
Ta2TiRe
0.003071
['Re', 'Ta', 'Ti']
# generated using pymatgen data_Ta2TiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56250185 _cell_length_b 4.56250185 _cell_length_c 4.56250185 _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_Ta2TiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45235199 _cell_length_b 6.45235199 _cell_length_c 6.45235199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,747
7,419
mp-755177
-2.250027
0.1233
EuSeO3
0
['Eu', 'O', 'Se']
# generated using pymatgen data_EuSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51394200 _cell_length_b 4.47221000 _cell_length_c 6.57938045 _cell_angle_alpha 72.88452103 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_EuSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47221000 _cell_length_b 5.51394200 _cell_length_c 6.57938045 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.11547897 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,748
34,762
mp-1227053
-1.393368
0.3698
CaMnSe2
0.032424
['Ca', 'Mn', 'Se']
# generated using pymatgen data_CaMnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93336795 _cell_length_b 6.93336795 _cell_length_c 6.93336764 _cell_angle_alpha 33.91610112 _cell_angle_beta 33.91610112 _cell_angle_gamma 33.91610860 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_CaMnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04453153 _cell_length_b 4.04453153 _cell_length_c 19.58493312 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,749
15,473
mp-9107
-1.439707
0.5626
NaZrCuS3
0
['Cu', 'Na', 'S', 'Zr']
# generated using pymatgen data_NaZrCuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81193218 _cell_length_b 6.81193218 _cell_length_c 9.80788000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.38130313 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_NaZrCuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71164800 _cell_length_b 13.10852201 _cell_length_c 9.80788000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,750
457
mp-569678
-0.079852
0
Rh4Pb5
0
['Pb', 'Rh']
# generated using pymatgen data_Rh4Pb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.43455166 _cell_length_b 13.85229618 _cell_length_c 5.78620603 _cell_angle_alpha 83.90884199 _cell_angle_beta 72.60078828 _cell_angle_gamma 23.49036973 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
69
69
# generated using pymatgen data_Rh4Pb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83266800 _cell_length_b 9.99503400 _cell_length_c 27.08365599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,751
4,788
mp-22518
-2.702812
1.1038
YbMnO3
0
['Mn', 'O', 'Yb']
# generated using pymatgen data_YbMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24392000 _cell_length_b 5.36995600 _cell_length_c 7.46957800 _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_YbMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24392000 _cell_length_b 5.36995600 _cell_length_c 7.46957800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,752
20,282
mp-30058
-1.714212
2.4362
TlSbO3
0.000222
['O', 'Sb', 'Tl']
# generated using pymatgen data_TlSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14642319 _cell_length_b 8.14642319 _cell_length_c 8.14642363 _cell_angle_alpha 38.75211283 _cell_angle_beta 38.75211283 _cell_angle_gamma 38.75211499 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_TlSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40542793 _cell_length_b 5.40542793 _cell_length_c 22.57480822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,753
20,178
mp-1224860
-0.289701
0
GaNi6Ge
0.000309
['Ga', 'Ge', 'Ni']
# generated using pymatgen data_GaNi6Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57016000 _cell_length_b 3.57016000 _cell_length_c 7.14166700 _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_GaNi6Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57016000 _cell_length_b 3.57016000 _cell_length_c 7.14166700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,754
29,870
mp-3442
-3.537603
2.2469
CaTiO3
0.018484
['Ca', 'Ti', 'O']
# generated using pymatgen data_CaTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48091573 _cell_length_b 5.48091573 _cell_length_c 5.48091573 _cell_angle_alpha 120.76808315 _cell_angle_beta 120.76808315 _cell_angle_gamma 88.67471085 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_CaTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41716200 _cell_length_b 5.41716200 _cell_length_c 7.84030999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,755
24,299
mp-132
0.006077
0
Ca
0.006077
['Ca']
# generated using pymatgen data_Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89661202 _cell_length_b 3.89661202 _cell_length_c 6.45132200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000028 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca ...
194
194
# generated using pymatgen data_Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89661202 _cell_length_b 3.89661202 _cell_length_c 6.45132200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca ...
25,756
41,828
mp-505315
-2.043874
0
Ba2LaCu3O8
0.061955
['Ba', 'Cu', 'La', 'O']
# generated using pymatgen data_Ba2LaCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98418700 _cell_length_b 3.98418700 _cell_length_c 11.73917100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
123
123
# generated using pymatgen data_Ba2LaCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98418700 _cell_length_b 3.98418700 _cell_length_c 11.73917100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,757
23,955
mp-865304
-0.344111
0
Tm2CoRu
0.00507
['Co', 'Ru', 'Tm']
# generated using pymatgen data_Tm2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70583381 _cell_length_b 4.70583381 _cell_length_c 4.70583381 _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_Tm2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65505400 _cell_length_b 6.65505400 _cell_length_c 6.65505400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,758
10,558
mp-1102207
-0.653808
0
ErGaNi
0
['Er', 'Ga', 'Ni']
# generated using pymatgen data_ErGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24108500 _cell_length_b 6.75292700 _cell_length_c 7.34605900 _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_ErGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24108500 _cell_length_b 6.75292700 _cell_length_c 7.34605900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,759
14,529
mp-1078725
-3.176748
1.8086
Ba2UZnO6
0
['Ba', 'O', 'U', 'Zn']
# generated using pymatgen data_Ba2UZnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01044724 _cell_length_b 6.01044724 _cell_length_c 6.01044724 _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_Ba2UZnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50005600 _cell_length_b 8.50005600 _cell_length_c 8.50005600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,760
13,776
mp-27863
-2.78519
5.5973
AlClO
0
['Al', 'Cl', 'O']
# generated using pymatgen data_AlClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16990000 _cell_length_b 3.66075600 _cell_length_c 8.49548600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
59
59
# generated using pymatgen data_AlClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16990000 _cell_length_b 3.66075600 _cell_length_c 8.49548600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
25,761
26,268
mp-1227401
-1.707587
0.5863
Ca(DyTe2)2
0.010516
['Ca', 'Dy', 'Te']
# generated using pymatgen data_Ca(DyTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41180300 _cell_length_b 7.53707000 _cell_length_c 7.75153741 _cell_angle_alpha 72.08118854 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
10
10
# generated using pymatgen data_Ca(DyTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53707000 _cell_length_b 4.41180300 _cell_length_c 7.75153741 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.91881146 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,762
10,034
mp-1079568
-1.475712
0
NaIrO3
0
['Ir', 'Na', 'O']
# generated using pymatgen data_NaIrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43253601 _cell_length_b 5.43253601 _cell_length_c 7.23000600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.65875949 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_NaIrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11685600 _cell_length_b 10.40841000 _cell_length_c 7.23000600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,763
27,363
mp-558099
-1.195492
1.7504
Nb2Tl5S4Br9
0.011702
['Br', 'Nb', 'S', 'Tl']
# generated using pymatgen data_Nb2Tl5S4Br9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34579596 _cell_length_b 10.34579596 _cell_length_c 10.34579596 _cell_angle_alpha 137.79151750 _cell_angle_beta 119.71034587 _cell_angle_gamma 76.33051662 _symmetry_Int_Tables_number 1 _chemical_formula_str...
71
71
# generated using pymatgen data_Nb2Tl5S4Br9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45033600 _cell_length_b 10.39105800 _cell_length_c 16.26838601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,764
20,243
mp-20840
-0.120815
0
MnCo2Sn
0
['Mn', 'Co', 'Sn']
# generated using pymatgen data_MnCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23623430 _cell_length_b 4.23623430 _cell_length_c 4.23623430 _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_MnCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99094000 _cell_length_b 5.99094000 _cell_length_c 5.99094000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,765
523
mp-3299
-0.823784
0
Sr(FeP)2
0
['Sr', 'Fe', 'P']
# generated using pymatgen data_Sr(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29731727 _cell_length_b 6.29731727 _cell_length_c 6.29731727 _cell_angle_alpha 144.70064193 _cell_angle_beta 144.70064193 _cell_angle_gamma 50.78086103 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Sr(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81864600 _cell_length_b 3.81864600 _cell_length_c 11.37808001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,766
11,132
mp-1190059
-2.107861
0
EuHfS3
0
['Eu', 'Hf', 'S']
# generated using pymatgen data_EuHfS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69049500 _cell_length_b 7.09715000 _cell_length_c 9.71806300 _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_EuHfS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69049500 _cell_length_b 7.09715000 _cell_length_c 9.71806300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,767
7,192
mp-1225219
-0.481563
0
EuAl8SiAu4
0
['Al', 'Au', 'Eu', 'Si']
# generated using pymatgen data_EuAl8SiAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29482100 _cell_length_b 4.29482100 _cell_length_c 14.47291100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
99
99
# generated using pymatgen data_EuAl8SiAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29482100 _cell_length_b 4.29482100 _cell_length_c 14.47291100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,768
8,538
mp-1078868
-2.871485
0
Sr2MgReO6
0
['Mg', 'O', 'Re', 'Sr']
# generated using pymatgen data_Sr2MgReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65162841 _cell_length_b 5.65162841 _cell_length_c 5.65162841 _cell_angle_alpha 120.36240494 _cell_angle_beta 120.36240494 _cell_angle_gamma 89.37343406 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
87
87
# generated using pymatgen data_Sr2MgReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62064200 _cell_length_b 5.62064200 _cell_length_c 8.03619200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,769
40,666
mp-1215575
-0.059782
0
ZnAu4
0.058416
['Au', 'Zn']
# generated using pymatgen data_ZnAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.58936611 _cell_length_b 11.58936611 _cell_length_c 11.58936564 _cell_angle_alpha 14.76096524 _cell_angle_beta 14.76096524 _cell_angle_gamma 14.76096239 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_ZnAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97748825 _cell_length_b 2.97748825 _cell_length_c 34.38348904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,770
25,700
mp-1216714
-0.605037
0
TiNbAlC
0.008975
['Al', 'C', 'Nb', 'Ti']
# generated using pymatgen data_TiNbAlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10325417 _cell_length_b 3.10325417 _cell_length_c 13.83347200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000372 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_TiNbAlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10325417 _cell_length_b 3.10325417 _cell_length_c 13.83347200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,771
41,766
mp-1246115
-0.673163
0.0004
Mg4SnN4
0.06155
['Mg', 'N', 'Sn']
# generated using pymatgen data_Mg4SnN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58912023 _cell_length_b 5.63278456 _cell_length_c 8.47409726 _cell_angle_alpha 70.13920880 _cell_angle_beta 82.90909643 _cell_angle_gamma 68.41674662 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Mg4SnN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58912023 _cell_length_b 5.63278456 _cell_length_c 8.43240823 _cell_angle_alpha 70.93887002 _cell_angle_beta 83.01158607 _cell_angle_gamma 68.41674662 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,772
3,369
mp-556026
-2.714077
3.6569
VOF3
0
['F', 'O', 'V']
# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38240300 _cell_length_b 5.87112700 _cell_length_c 9.69663164 _cell_angle_alpha 89.64833358 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
14
14
# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87112700 _cell_length_b 5.38240300 _cell_length_c 9.69663164 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.35166642 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
25,773
679
mp-865890
-0.278408
0
Li2CaIn
0
['Ca', 'In', 'Li']
# generated using pymatgen data_Li2CaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01012449 _cell_length_b 5.01012449 _cell_length_c 5.01012449 _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_Li2CaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08538600 _cell_length_b 7.08538600 _cell_length_c 7.08538600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,774
17,966
mp-867120
-0.303427
0
TaMn2Al
0
['Ta', 'Mn', 'Al']
# generated using pymatgen data_TaMn2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24135092 _cell_length_b 4.24135092 _cell_length_c 4.24135092 _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_TaMn2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99817599 _cell_length_b 5.99817599 _cell_length_c 5.99817599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,775
37,233
mp-1221857
-1.837557
0.247
Mn4FeO5
0.042286
['Fe', 'Mn', 'O']
# generated using pymatgen data_Mn4FeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26630415 _cell_length_b 11.26630415 _cell_length_c 11.26630415 _cell_angle_alpha 163.81276118 _cell_angle_beta 163.81276118 _cell_angle_gamma 22.96966430 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
139
139
# generated using pymatgen data_Mn4FeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17238800 _cell_length_b 3.17238800 _cell_length_c 22.08144800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,776
481
mp-1078895
-0.252431
0
Mn3Pd5
0
['Mn', 'Pd']
# generated using pymatgen data_Mn3Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49594380 _cell_length_b 5.49594380 _cell_length_c 4.08862000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.11666394 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_Mn3Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27506000 _cell_length_b 8.23984800 _cell_length_c 4.08862000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,777
27,684
mp-1215368
-0.198499
0
Zr4FeCo
0.012661
['Co', 'Fe', 'Zr']
# generated using pymatgen data_Zr4FeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27101135 _cell_length_b 5.27101135 _cell_length_c 5.27101135 _cell_angle_alpha 106.75675012 _cell_angle_beta 106.75675012 _cell_angle_gamma 115.04828214 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
97
97
# generated using pymatgen data_Zr4FeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28861000 _cell_length_b 6.28861000 _cell_length_c 5.66047800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,778
14,018
mp-1025517
-1.156698
0
Ti2InN
0
['Ti', 'In', 'N']
# generated using pymatgen data_Ti2InN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11195518 _cell_length_b 3.11195518 _cell_length_c 13.95662000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998248 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Ti2InN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11195518 _cell_length_b 3.11195518 _cell_length_c 13.95662000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,779
2,662
mp-1215456
-2.126946
0
YbErSe2
0
['Er', 'Se', 'Yb']
# generated using pymatgen data_YbErSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16147805 _cell_length_b 7.16147805 _cell_length_c 7.16147775 _cell_angle_alpha 32.94523023 _cell_angle_beta 32.94523023 _cell_angle_gamma 32.94522179 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_YbErSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06137446 _cell_length_b 4.06137446 _cell_length_c 20.30016272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,780
13,642
mp-1207567
-3.867933
1.0973
YbHfF7
0
['F', 'Hf', 'Yb']
# generated using pymatgen data_YbHfF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04214800 _cell_length_b 6.01591073 _cell_length_c 8.10564797 _cell_angle_alpha 99.71430703 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_YbHfF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01591073 _cell_length_b 6.04214800 _cell_length_c 8.10564797 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.71430703 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,781
30,378
mp-582282
-1.425594
0.3939
GdAgSe2
0.018981
['Ag', 'Gd', 'Se']
# generated using pymatgen data_GdAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39012441 _cell_length_b 7.39012441 _cell_length_c 7.39012441 _cell_angle_alpha 134.31552184 _cell_angle_beta 134.31552184 _cell_angle_gamma 66.59560472 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
109
109
# generated using pymatgen data_GdAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73762000 _cell_length_b 5.73762000 _cell_length_c 12.35375201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,782
11,954
mp-865403
-0.746336
0
Tm2MgGe2
0
['Tm', 'Mg', 'Ge']
# generated using pymatgen data_Tm2MgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19276100 _cell_length_b 7.19276100 _cell_length_c 4.20154700 _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_Tm2MgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19276100 _cell_length_b 7.19276100 _cell_length_c 4.20154700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,783
38,782
mp-1305888
-2.137117
1.6231
Li2VNiO4
0.049163
['Li', 'Ni', 'O', 'V']
# generated using pymatgen data_Li2VNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91706229 _cell_length_b 5.91591076 _cell_length_c 5.87792791 _cell_angle_alpha 119.91981998 _cell_angle_beta 119.89639771 _cell_angle_gamma 89.73753505 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Li2VNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21062462 _cell_length_b 5.95989161 _cell_length_c 5.87792791 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.15686074 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,784
12,503
mp-1014226
-0.959375
0
Zr3ZnN
0
['N', 'Zn', 'Zr']
# generated using pymatgen data_Zr3ZnN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01894330 _cell_length_b 6.01894330 _cell_length_c 8.96402600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.57358435 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Zr3ZnN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36112800 _cell_length_b 11.55913199 _cell_length_c 8.96402600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,785
3,427
mp-7874
-0.267365
0
LiGaGe
0
['Ga', 'Ge', 'Li']
# generated using pymatgen data_LiGaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23132480 _cell_length_b 4.23132480 _cell_length_c 6.86463900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001252 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_LiGaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23132480 _cell_length_b 4.23132480 _cell_length_c 6.86463900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,786
35,010
mp-1038955
0.009189
0
CeMg2
0.034262
['Ce', 'Mg']
# generated using pymatgen data_CeMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83477791 _cell_length_b 6.83477791 _cell_length_c 7.41937089 _cell_angle_alpha 77.84495759 _cell_angle_beta 77.84495759 _cell_angle_gamma 26.90153530 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
12
12
# generated using pymatgen data_CeMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.29460200 _cell_length_b 3.17967200 _cell_length_c 7.41937089 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.50332401 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,787
38,580
mp-11523
-0.136421
0
Ni3Sn
0.048783
['Ni', 'Sn']
# generated using pymatgen data_Ni3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18804497 _cell_length_b 4.18804497 _cell_length_c 4.18804497 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
225
225
# generated using pymatgen data_Ni3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92279000 _cell_length_b 5.92279000 _cell_length_c 5.92279000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,788
30,033
mp-1095420
-1.901309
2.3008
ZnMoO4
0.018757
['Mo', 'O', 'Zn']
# generated using pymatgen data_ZnMoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84547000 _cell_length_b 4.74968600 _cell_length_c 4.96663203 _cell_angle_alpha 89.04214400 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
13
13
# generated using pymatgen data_ZnMoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74968600 _cell_length_b 5.84547000 _cell_length_c 4.96663203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.95785600 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,789
21,214
mp-1223243
-2.333361
1.6117
La2Cu2SeSO2
0.00138
['Cu', 'La', 'O', 'S', 'Se']
# generated using pymatgen data_La2Cu2SeSO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03601400 _cell_length_b 4.03601400 _cell_length_c 8.71327200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
99
99
# generated using pymatgen data_La2Cu2SeSO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03601400 _cell_length_b 4.03601400 _cell_length_c 8.71327200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,790
4,243
mp-1603
-0.518431
0
TmGa3
0
['Tm', 'Ga']
# generated using pymatgen data_TmGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24646900 _cell_length_b 4.24646900 _cell_length_c 4.24646900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
221
221
# generated using pymatgen data_TmGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24646900 _cell_length_b 4.24646900 _cell_length_c 4.24646900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
25,791
31,086
mp-1173910
-1.934653
0.8774
Li2MnCoO4
0.021526
['Co', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li2MnCoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05985250 _cell_length_b 5.95679000 _cell_length_c 5.13109587 _cell_angle_alpha 89.99974553 _cell_angle_beta 109.26830060 _cell_angle_gamma 90.00415242 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
13
13
# generated using pymatgen data_Li2MnCoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05985250 _cell_length_b 5.95679000 _cell_length_c 5.13109587 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.26830060 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,792
27,956
mp-935811
-2.843408
1.4743
KNbO3
0.012914
['K', 'Nb', 'O']
# generated using pymatgen data_KNbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05746900 _cell_length_b 4.05746900 _cell_length_c 4.05746900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
221
221
# generated using pymatgen data_KNbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05746900 _cell_length_b 4.05746900 _cell_length_c 4.05746900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
25,793
31,369
mp-551214
-2.196939
0
CeCrS2O
0.022633
['Ce', 'Cr', 'O', 'S']
# generated using pymatgen data_CeCrS2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95918329 _cell_length_b 5.95918329 _cell_length_c 8.02688650 _cell_angle_alpha 89.79610506 _cell_angle_beta 89.79610506 _cell_angle_gamma 36.96267961 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_CeCrS2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.30370001 _cell_length_b 3.77807200 _cell_length_c 8.02688650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.21498228 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,794
4,354
mp-542339
-0.104579
0.1704
CsIn3
0
['Cs', 'In']
# generated using pymatgen data_CsIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00061821 _cell_length_b 10.00061821 _cell_length_c 10.00061821 _cell_angle_alpha 137.49042803 _cell_angle_beta 137.49042803 _cell_angle_gamma 61.68433483 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
119
119
# generated using pymatgen data_CsIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25076600 _cell_length_b 7.25076600 _cell_length_c 17.17271799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,795
25,102
mp-1185304
-0.139626
0
LiAlZn2
0.008277
['Al', 'Li', 'Zn']
# generated using pymatgen data_LiAlZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39725241 _cell_length_b 4.39725241 _cell_length_c 4.39725241 _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_LiAlZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21865400 _cell_length_b 6.21865400 _cell_length_c 6.21865400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,796
2,695
mp-1224096
-0.637833
0
Ho2CoGe4
0
['Co', 'Ge', 'Ho']
# generated using pymatgen data_Ho2CoGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09979300 _cell_length_b 4.12153800 _cell_length_c 8.18942146 _cell_angle_alpha 75.42555006 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_Ho2CoGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12153800 _cell_length_b 15.85179600 _cell_length_c 4.09979300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,797
32,802
mp-13079
-0.278881
0
Mn2AlCo
0.026856
['Mn', 'Al', 'Co']
# generated using pymatgen data_Mn2AlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06041503 _cell_length_b 4.06041503 _cell_length_c 4.06041503 _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_Mn2AlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74229400 _cell_length_b 5.74229400 _cell_length_c 5.74229400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,798
24,578
mp-1184899
0.007357
0
HoTm3
0.007357
['Ho', 'Tm']
# generated using pymatgen data_HoTm3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11810856 _cell_length_b 7.11810856 _cell_length_c 5.56793400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000519 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_HoTm3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11810856 _cell_length_b 7.11810856 _cell_length_c 5.56793400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,799
3,244
mp-1640
-0.29849
0
Ho2C
0
['Ho', 'C']
# generated using pymatgen data_Ho2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43413314 _cell_length_b 6.43413314 _cell_length_c 6.43413329 _cell_angle_alpha 32.26692095 _cell_angle_beta 32.26692095 _cell_angle_gamma 32.26691670 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho...
166
166
# generated using pymatgen data_Ho2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57577825 _cell_length_b 3.57577825 _cell_length_c 18.28179578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...