Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
-5.15
0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
0
0.08
elements
stringlengths
5
40
cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
1
229
cif.conv
stringlengths
696
5.07k
25,800
18,281
mp-22595
-1.125436
0
UAsSe
0
['U', 'As', 'Se']
# generated using pymatgen data_UAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97646300 _cell_length_b 3.97646300 _cell_length_c 8.40797500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U...
129
129
# generated using pymatgen data_UAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97646300 _cell_length_b 3.97646300 _cell_length_c 8.40797500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U...
25,801
18,987
mp-977553
-1.039507
0
Yb2PtAu
0
['Yb', 'Pt', 'Au']
# generated using pymatgen data_Yb2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96246125 _cell_length_b 4.96246125 _cell_length_c 4.96246125 _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_Yb2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01798000 _cell_length_b 7.01798000 _cell_length_c 7.01798000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,802
3,205
mp-1226311
-2.802116
3.9301
Cs2MnNiF6
0
['Cs', 'F', 'Mn', 'Ni']
# generated using pymatgen data_Cs2MnNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.78681103 _cell_length_b 10.78681103 _cell_length_c 10.78681058 _cell_angle_alpha 33.92159481 _cell_angle_beta 33.92159481 _cell_angle_gamma 33.92159932 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
160
160
# generated using pymatgen data_Cs2MnNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29339953 _cell_length_b 6.29339953 _cell_length_c 30.46927918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,803
43,546
mp-1094238
-0.067691
0
MgSn
0.072661
['Mg', 'Sn']
# generated using pymatgen data_MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58249729 _cell_length_b 5.58249729 _cell_length_c 5.85693352 _cell_angle_alpha 71.52229805 _cell_angle_beta 71.52229805 _cell_angle_gamma 60.88497806 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
5
5
# generated using pymatgen data_MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62576800 _cell_length_b 5.65700400 _cell_length_c 5.85693352 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.56864927 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
25,804
24,743
mp-1225623
-2.321231
1.0269
Er3ScS6
0.007292
['Er', 'S', 'Sc']
# generated using pymatgen data_Er3ScS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85776000 _cell_length_b 10.77597200 _cell_length_c 11.11365114 _cell_angle_alpha 71.42517509 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
11
11
# generated using pymatgen data_Er3ScS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.77597200 _cell_length_b 3.85776000 _cell_length_c 11.11365114 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.57482491 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,805
11,884
mp-570138
-0.639963
0
Tb2Al4NiGe2
0
['Al', 'Ge', 'Ni', 'Tb']
# generated using pymatgen data_Tb2Al4NiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.16489095 _cell_length_b 10.16489095 _cell_length_c 10.16489095 _cell_angle_alpha 156.43891414 _cell_angle_beta 156.43891414 _cell_angle_gamma 33.56399255 _symmetry_Int_Tables_number 1 _chemical_formula_str...
139
139
# generated using pymatgen data_Tb2Al4NiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15060200 _cell_length_b 4.15060200 _cell_length_c 19.46394200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,806
16,349
mp-553242
-2.360445
1.294
NdBi2BrO4
0
['Bi', 'Br', 'Nd', 'O']
# generated using pymatgen data_NdBi2BrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97922500 _cell_length_b 3.97922500 _cell_length_c 9.39901800 _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_NdBi2BrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97922500 _cell_length_b 3.97922500 _cell_length_c 9.39901800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,807
41,132
mp-1185450
0.006059
0
LiTh2Tc
0.058712
['Li', 'Tc', 'Th']
# generated using pymatgen data_LiTh2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10903600 _cell_length_b 5.10903600 _cell_length_c 5.10903600 _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_LiTh2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22526800 _cell_length_b 7.22526800 _cell_length_c 7.22526800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,808
31,256
mp-1224072
-0.055996
0
In2Ni6C
0.021672
['C', 'In', 'Ni']
# generated using pymatgen data_In2Ni6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83678900 _cell_length_b 3.83678900 _cell_length_c 7.50576900 _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_In2Ni6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83678900 _cell_length_b 3.83678900 _cell_length_c 7.50576900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,809
4,826
mp-29154
-0.927171
0
Hf2CoP
0
['Hf', 'Co', 'P']
# generated using pymatgen data_Hf2CoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60649800 _cell_length_b 5.18586000 _cell_length_c 7.36031620 _cell_angle_alpha 70.40987112 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_Hf2CoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18586000 _cell_length_b 3.60649800 _cell_length_c 7.36031620 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.59012888 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,810
38,918
mp-755416
-3.140727
3.6066
HoGaO3
0.049538
['Ga', 'Ho', 'O']
# generated using pymatgen data_HoGaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28377400 _cell_length_b 5.59309000 _cell_length_c 7.63411200 _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_HoGaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28377400 _cell_length_b 5.59309000 _cell_length_c 7.63411200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,811
38,524
mp-1078554
-0.226429
3.2043
KNa3H4
0.048992
['H', 'K', 'Na']
# generated using pymatgen data_KNa3H4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11864100 _cell_length_b 5.11864100 _cell_length_c 5.11864100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
221
221
# generated using pymatgen data_KNa3H4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11864100 _cell_length_b 5.11864100 _cell_length_c 5.11864100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,812
15,013
mp-1021509
-0.413621
0.1943
Ce(FeAs3)4
0
['As', 'Ce', 'Fe']
# generated using pymatgen data_Ce(FeAs3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20562927 _cell_length_b 7.20562927 _cell_length_c 7.20562927 _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_Ce(FeAs3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32034400 _cell_length_b 8.32034400 _cell_length_c 8.32034400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,813
40,549
mp-1101843
-1.243084
0
PbO2
0.056563
['O', 'Pb']
# generated using pymatgen data_PbO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54970500 _cell_length_b 8.28469500 _cell_length_c 5.74503200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb...
62
62
# generated using pymatgen data_PbO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54970500 _cell_length_b 5.74503200 _cell_length_c 8.28469500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb...
25,814
24,483
mp-976590
-0.557525
0
HoTlRh2
0.006559
['Ho', 'Rh', 'Tl']
# generated using pymatgen data_HoTlRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73141411 _cell_length_b 4.73141411 _cell_length_c 4.73141411 _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_HoTlRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69123000 _cell_length_b 6.69123000 _cell_length_c 6.69123000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,815
31,263
mp-1225547
-1.088482
1.1178
ErAgTe2
0.02221
['Ag', 'Er', 'Te']
# generated using pymatgen data_ErAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48963975 _cell_length_b 4.48963975 _cell_length_c 7.29218900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999625 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_ErAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48963975 _cell_length_b 4.48963975 _cell_length_c 7.29218900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,816
1,601
mp-1181682
-0.346452
0.1192
Ce(FeSb3)4
0
['Ce', 'Fe', 'Sb']
# generated using pymatgen data_Ce(FeSb3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92955030 _cell_length_b 7.92955030 _cell_length_c 7.92955030 _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_Ce(FeSb3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15625600 _cell_length_b 9.15625600 _cell_length_c 9.15625600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,817
23,354
mp-36641
-0.589828
1.0979
Cd(Ga3Te5)2
0.004426
['Cd', 'Ga', 'Te']
# generated using pymatgen data_Cd(Ga3Te5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53412824 _cell_length_b 7.53412824 _cell_length_c 13.38282310 _cell_angle_alpha 88.94261389 _cell_angle_beta 88.94261389 _cell_angle_gamma 48.34680029 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
5
5
# generated using pymatgen data_Cd(Ga3Te5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.74692599 _cell_length_b 6.17044400 _cell_length_c 13.38282310 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.15903347 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,818
24,242
mp-1223798
-0.490885
0
InAgTe2
0.006586
['Ag', 'In', 'Te']
# generated using pymatgen data_InAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60981200 _cell_length_b 4.60981200 _cell_length_c 6.62933300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
115
115
# generated using pymatgen data_InAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60981200 _cell_length_b 4.60981200 _cell_length_c 6.62933300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,819
2,551
mp-1095519
-0.326263
0
Eu2In
0
['Eu', 'In']
# generated using pymatgen data_Eu2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48147500 _cell_length_b 7.31385900 _cell_length_c 10.20612800 _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_Eu2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48147500 _cell_length_b 7.31385900 _cell_length_c 10.20612800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,820
14,230
mp-1306
-0.401914
0
ThAl3
0
['Th', 'Al']
# generated using pymatgen data_ThAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51825712 _cell_length_b 6.51825712 _cell_length_c 4.63884100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999107 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_ThAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51825712 _cell_length_b 6.51825712 _cell_length_c 4.63884100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,821
30,787
mp-1516877
-2.416
3.0071
KYBiSbO6
0.020142
['Bi', 'K', 'O', 'Sb', 'Y']
# generated using pymatgen data_KYBiSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73849655 _cell_length_b 6.09735823 _cell_length_c 8.43364890 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.85803630 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
7
7
# generated using pymatgen data_KYBiSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73849655 _cell_length_b 6.09735823 _cell_length_c 10.18906029 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.13542677 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,822
41,608
mp-1174189
-1.99583
0.4164
Li4Mn3CoO8
0.062195
['Co', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li4Mn3CoO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95672014 _cell_length_b 5.95672014 _cell_length_c 5.04336480 _cell_angle_alpha 76.16199364 _cell_angle_beta 76.16199364 _cell_angle_gamma 62.18630754 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Li4Mn3CoO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20182200 _cell_length_b 6.15247000 _cell_length_c 5.04336480 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.21877660 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,823
6,006
mp-1018728
-1.852684
0
HoSe2
0
['Ho', 'Se']
# generated using pymatgen data_HoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05749300 _cell_length_b 4.05749300 _cell_length_c 8.31096300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
129
129
# generated using pymatgen data_HoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05749300 _cell_length_b 4.05749300 _cell_length_c 8.31096300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
25,824
10,141
mp-1207125
-0.488115
0
Cs(FeP)2
0
['Cs', 'Fe', 'P']
# generated using pymatgen data_Cs(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64765624 _cell_length_b 7.64765624 _cell_length_c 7.64765624 _cell_angle_alpha 150.93793659 _cell_angle_beta 150.93793659 _cell_angle_gamma 41.56633285 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Cs(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83766000 _cell_length_b 3.83766000 _cell_length_c 14.30004599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,825
3,601
mp-1173377
-4.110976
2.7813
NdPaO4
0
['Nd', 'O', 'Pa']
# generated using pymatgen data_NdPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69983786 _cell_length_b 6.69983786 _cell_length_c 6.69983786 _cell_angle_alpha 131.39193940 _cell_angle_beta 131.39193940 _cell_angle_gamma 71.19110472 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_NdPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51501800 _cell_length_b 5.51501800 _cell_length_c 10.89589200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,826
29,530
mp-1080005
-1.947791
4.5306
Cs3Li2Br5
0.018307
['Br', 'Cs', 'Li']
# generated using pymatgen data_Cs3Li2Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.46350356 _cell_length_b 13.46350356 _cell_length_c 4.46403237 _cell_angle_alpha 80.54181661 _cell_angle_beta 80.54181661 _cell_angle_gamma 147.00186062 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
8
8
# generated using pymatgen data_Cs3Li2Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64726400 _cell_length_b 25.81827000 _cell_length_c 4.46403237 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.35348557 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,827
11,082
mp-1113569
-1.890896
0.2804
Cs2CeAgBr6
0
['Ag', 'Br', 'Ce', 'Cs']
# generated using pymatgen data_Cs2CeAgBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19432815 _cell_length_b 8.19432815 _cell_length_c 8.19432815 _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_Cs2CeAgBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.58853000 _cell_length_b 11.58853000 _cell_length_c 11.58853000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,828
6,744
mp-13654
-0.897142
0.5814
Y3Sb4Au3
0
['Au', 'Sb', 'Y']
# generated using pymatgen data_Y3Sb4Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62886928 _cell_length_b 8.62886928 _cell_length_c 8.62886928 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
220
220
# generated using pymatgen data_Y3Sb4Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96376000 _cell_length_b 9.96376000 _cell_length_c 9.96376000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,829
15,875
mp-5622
-0.977978
0
Nd(CoP)2
0
['Nd', 'Co', 'P']
# generated using pymatgen data_Nd(CoP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62780104 _cell_length_b 5.62780104 _cell_length_c 5.62780104 _cell_angle_alpha 139.54915229 _cell_angle_beta 139.54915229 _cell_angle_gamma 58.53849054 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Nd(CoP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89122600 _cell_length_b 3.89122600 _cell_length_c 9.81862000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,830
4,111
mp-1186476
-0.508144
0
Pm2TlSn
0
['Pm', 'Sn', 'Tl']
# generated using pymatgen data_Pm2TlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48054283 _cell_length_b 5.48054283 _cell_length_c 5.48054283 _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_Pm2TlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75065800 _cell_length_b 7.75065800 _cell_length_c 7.75065800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,831
32,991
mvc-12765
-2.431216
1.3618
Ca3Fe2(ReO6)2
0.02639
['Ca', 'Fe', 'O', 'Re']
# generated using pymatgen data_Ca3Fe2(ReO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37929200 _cell_length_b 5.53661938 _cell_length_c 7.72428361 _cell_angle_alpha 89.98173440 _cell_angle_beta 89.98625516 _cell_angle_gamma 89.55050771 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1
1
# generated using pymatgen data_Ca3Fe2(ReO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37929200 _cell_length_b 5.53661938 _cell_length_c 7.72428361 _cell_angle_alpha 89.98173440 _cell_angle_beta 89.98625516 _cell_angle_gamma 89.55050771 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,832
33,624
mp-1186653
0.030096
0
PmTm
0.030096
['Pm', 'Tm']
# generated using pymatgen data_PmTm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60506176 _cell_length_b 3.60506176 _cell_length_c 5.79612300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999564 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
187
187
# generated using pymatgen data_PmTm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60506176 _cell_length_b 3.60506176 _cell_length_c 5.79612300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
25,833
9,904
mp-6987
-0.987693
0.538
Sr(GaTe2)2
0
['Ga', 'Sr', 'Te']
# generated using pymatgen data_Sr(GaTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82667730 _cell_length_b 6.82667730 _cell_length_c 11.90829900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.20520744 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
66
66
# generated using pymatgen data_Sr(GaTe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80549200 _cell_length_b 11.83635799 _cell_length_c 11.90829900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,834
3,109
mp-1188065
-0.500248
0
ZrCoH3
0
['Co', 'H', 'Zr']
# generated using pymatgen data_ZrCoH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48870640 _cell_length_b 5.48870640 _cell_length_c 4.31328700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.35248690 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_ZrCoH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54195200 _cell_length_b 10.39029200 _cell_length_c 4.31328700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,835
34,769
mp-1227690
-2.877244
0
Ca3NdMn2O8
0.033753
['Ca', 'Mn', 'Nd', 'O']
# generated using pymatgen data_Ca3NdMn2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85801500 _cell_length_b 3.85801500 _cell_length_c 11.88157200 _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_Ca3NdMn2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85801500 _cell_length_b 3.85801500 _cell_length_c 11.88157200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,836
28,744
mp-1223924
-2.212493
4.9851
K4NaCl5
0.016016
['Cl', 'K', 'Na']
# generated using pymatgen data_K4NaCl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.71348030 _cell_length_b 11.71348030 _cell_length_c 11.71348030 _cell_angle_alpha 158.39234462 _cell_angle_beta 148.81543862 _cell_angle_gamma 38.25794222 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
71
71
# generated using pymatgen data_K4NaCl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39131200 _cell_length_b 6.29693400 _cell_length_c 22.13340200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,837
40,787
mp-1285900
-2.514808
1.2009
Sr2Mn2O5
0.057147
['Mn', 'O', 'Sr']
# generated using pymatgen data_Sr2Mn2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82367356 _cell_length_b 6.82368609 _cell_length_c 6.82367408 _cell_angle_alpha 75.82882520 _cell_angle_beta 65.78636434 _cell_angle_gamma 110.18449407 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_Sr2Mn2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80979500 _cell_length_b 8.38608000 _cell_length_c 3.70576350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,838
38,322
mp-21462
0.045591
0
Eu
0.045591
['Eu']
# generated using pymatgen data_Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05065600 _cell_length_b 4.05065600 _cell_length_c 6.51378600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000003 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu ...
194
194
# generated using pymatgen data_Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05065600 _cell_length_b 4.05065600 _cell_length_c 6.51378600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu ...
25,839
33,658
mp-1207446
-0.070032
0
Zr(FeSn)6
0.030079
['Fe', 'Sn', 'Zr']
# generated using pymatgen data_Zr(FeSn)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37041541 _cell_length_b 5.37041541 _cell_length_c 8.89722800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999269 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
191
191
# generated using pymatgen data_Zr(FeSn)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37041541 _cell_length_b 5.37041541 _cell_length_c 8.89722800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,840
15,542
mp-1080600
-0.707192
0
YbAl2Pd
0
['Al', 'Pd', 'Yb']
# generated using pymatgen data_YbAl2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42282751 _cell_length_b 5.42282751 _cell_length_c 7.27003000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.45167103 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_YbAl2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28545800 _cell_length_b 9.96308600 _cell_length_c 7.27003000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,841
39,652
mp-1205804
-0.474147
0
Tm2Ge6Pd
0.051988
['Ge', 'Pd', 'Tm']
# generated using pymatgen data_Tm2Ge6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02909100 _cell_length_b 4.06689300 _cell_length_c 11.11476611 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.44254391 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
38
38
# generated using pymatgen data_Tm2Ge6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02909100 _cell_length_b 21.86134800 _cell_length_c 4.06689300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,842
11,361
mp-4973
-3.236466
0
CeSF
0
['Ce', 'S', 'F']
# generated using pymatgen data_CeSF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94542000 _cell_length_b 3.94542000 _cell_length_c 7.02264800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce...
129
129
# generated using pymatgen data_CeSF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94542000 _cell_length_b 3.94542000 _cell_length_c 7.02264800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce...
25,843
33,230
mp-1224275
-0.024875
0
HfTaV4
0.027264
['Hf', 'Ta', 'V']
# generated using pymatgen data_HfTaV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10271164 _cell_length_b 5.10271164 _cell_length_c 5.10271164 _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_HfTaV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21632401 _cell_length_b 7.21632401 _cell_length_c 7.21632401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,844
9,112
mp-1186763
-0.146764
0
Ta2MoW
0
['Mo', 'Ta', 'W']
# generated using pymatgen data_Ta2MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58332332 _cell_length_b 4.58332332 _cell_length_c 4.58332332 _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_Ta2MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48179800 _cell_length_b 6.48179800 _cell_length_c 6.48179800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,845
17,356
mp-557640
-1.32985
0
Nb3SnS6
0
['Nb', 'S', 'Sn']
# generated using pymatgen data_Nb3SnS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85052451 _cell_length_b 5.85052451 _cell_length_c 14.61038400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000578 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
182
182
# generated using pymatgen data_Nb3SnS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85052451 _cell_length_b 5.85052451 _cell_length_c 14.61038400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,846
7,609
mp-1186611
-0.559061
0
PmNdGa2
0
['Ga', 'Nd', 'Pm']
# generated using pymatgen data_PmNdGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21744537 _cell_length_b 5.21744537 _cell_length_c 5.21744537 _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_PmNdGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37858200 _cell_length_b 7.37858200 _cell_length_c 7.37858200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,847
26,899
mp-571409
-1.911848
4.3567
Cs2Li3Br5
0.010852
['Br', 'Cs', 'Li']
# generated using pymatgen data_Cs2Li3Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23044389 _cell_length_b 8.23044389 _cell_length_c 10.25215023 _cell_angle_alpha 65.99014817 _cell_angle_beta 65.99014817 _cell_angle_gamma 31.17407515 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Cs2Li3Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.85551199 _cell_length_b 4.42307200 _cell_length_c 10.25215023 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.98805065 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,848
40,829
mp-30507
-0.366587
0
CeIr5
0.05629
['Ce', 'Ir']
# generated using pymatgen data_CeIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30849876 _cell_length_b 5.30849876 _cell_length_c 4.35515200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000946 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_CeIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30849876 _cell_length_b 5.30849876 _cell_length_c 4.35515200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,849
33,429
mp-757564
-2.046292
1.0806
Li5Mn3(FeO5)2
0.027606
['Fe', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li5Mn3(FeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22235300 _cell_length_b 5.23426869 _cell_length_c 7.81613418 _cell_angle_alpha 103.63820450 _cell_angle_beta 108.37758060 _cell_angle_gamma 99.41813047 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
2
2
# generated using pymatgen data_Li5Mn3(FeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22235300 _cell_length_b 5.23426869 _cell_length_c 7.81613418 _cell_angle_alpha 103.63820450 _cell_angle_beta 108.37758060 _cell_angle_gamma 99.41813047 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
25,850
43,474
mp-978520
-0.240043
0
SmDyRu2
0.068875
['Dy', 'Ru', 'Sm']
# generated using pymatgen data_SmDyRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86049504 _cell_length_b 4.86049504 _cell_length_c 4.86049504 _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_SmDyRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87377801 _cell_length_b 6.87377801 _cell_length_c 6.87377801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,851
3,800
mp-23856
-1.795115
4.2653
LiHO
0
['Li', 'H', 'O']
# generated using pymatgen data_LiHO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59136300 _cell_length_b 3.59136300 _cell_length_c 4.41046400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li...
129
129
# generated using pymatgen data_LiHO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59136300 _cell_length_b 3.59136300 _cell_length_c 4.41046400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li...
25,852
38,900
mp-753806
-2.226882
3.7755
BSbO3
0.048015
['B', 'O', 'Sb']
# generated using pymatgen data_BSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84604000 _cell_length_b 6.04718949 _cell_length_c 6.22088714 _cell_angle_alpha 80.97470390 _cell_angle_beta 68.56260547 _cell_angle_gamma 66.60665407 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
2
2
# generated using pymatgen data_BSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84604000 _cell_length_b 6.04718949 _cell_length_c 6.22088714 _cell_angle_alpha 80.97470390 _cell_angle_beta 68.56260547 _cell_angle_gamma 66.60665407 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,853
40,570
mp-1111296
-1.588011
1.124
KTlCl3
0.058349
['Cl', 'K', 'Tl']
# generated using pymatgen data_KTlCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93207073 _cell_length_b 7.93207073 _cell_length_c 7.93207073 _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_KTlCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21764200 _cell_length_b 11.21764200 _cell_length_c 11.21764200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,854
16,354
mp-557121
-0.905047
1.7045
K2Sn(AuS2)2
0
['Au', 'K', 'S', 'Sn']
# generated using pymatgen data_K2Sn(AuS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50744200 _cell_length_b 8.46754315 _cell_length_c 9.35513332 _cell_angle_alpha 71.62425444 _cell_angle_beta 82.09225887 _cell_angle_gamma 67.75148049 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_K2Sn(AuS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50744200 _cell_length_b 8.46754315 _cell_length_c 9.35513332 _cell_angle_alpha 71.62425444 _cell_angle_beta 82.09225887 _cell_angle_gamma 67.75148049 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,855
26,186
mp-1219203
-0.335026
0.7703
Si3P3Rh
0.010089
['P', 'Rh', 'Si']
# generated using pymatgen data_Si3P3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92099800 _cell_length_b 4.93932641 _cell_length_c 5.53702735 _cell_angle_alpha 108.81164017 _cell_angle_beta 108.13215189 _cell_angle_gamma 95.05766870 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
1
1
# generated using pymatgen data_Si3P3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92099800 _cell_length_b 4.93932641 _cell_length_c 5.53702735 _cell_angle_alpha 108.81164017 _cell_angle_beta 108.13215189 _cell_angle_gamma 95.05766870 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,856
11,634
mp-1206047
-3.699359
0.8354
Ba2LuUO6
0
['Ba', 'Lu', 'O', 'U']
# generated using pymatgen data_Ba2LuUO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15908726 _cell_length_b 6.15908726 _cell_length_c 6.15908726 _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_Ba2LuUO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71026473 _cell_length_b 8.71026473 _cell_length_c 8.71026473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,857
8,203
mp-12829
-3.463849
6.4052
LiCaGaF6
0
['Ca', 'F', 'Ga', 'Li']
# generated using pymatgen data_LiCaGaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17020536 _cell_length_b 5.17020536 _cell_length_c 9.87808500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999181 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
163
163
# generated using pymatgen data_LiCaGaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17020536 _cell_length_b 5.17020536 _cell_length_c 9.87808500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,858
35,850
mp-505311
-2.297778
1.1361
Sr2CrCuSO3
0.037516
['Cr', 'Cu', 'O', 'S', 'Sr']
# generated using pymatgen data_Sr2CrCuSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94474700 _cell_length_b 3.94474700 _cell_length_c 15.62161900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
129
129
# generated using pymatgen data_Sr2CrCuSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94474700 _cell_length_b 3.94474700 _cell_length_c 15.62161900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,859
7,906
mp-7473
-0.207403
0
LiCu2Si
0
['Li', 'Cu', 'Si']
# generated using pymatgen data_LiCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05338497 _cell_length_b 4.05338497 _cell_length_c 4.05338497 _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_LiCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73235200 _cell_length_b 5.73235200 _cell_length_c 5.73235200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,860
35,844
mp-3380
-0.331386
0
LaRhC2
0.037334
['C', 'La', 'Rh']
# generated using pymatgen data_LaRhC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99129100 _cell_length_b 3.99129100 _cell_length_c 15.41941500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
76
76
# generated using pymatgen data_LaRhC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99129100 _cell_length_b 3.99129100 _cell_length_c 15.41941500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,861
28,636
mp-1187601
-0.308857
0
Tm2TlZn
0.015049
['Tl', 'Tm', 'Zn']
# generated using pymatgen data_Tm2TlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15123189 _cell_length_b 5.15123189 _cell_length_c 5.15123189 _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_Tm2TlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28494200 _cell_length_b 7.28494200 _cell_length_c 7.28494200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,862
39,271
mp-1229127
-0.462565
0
Ag2SnBiS4
0.050868
['Ag', 'Bi', 'S', 'Sn']
# generated using pymatgen data_Ag2SnBiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89745915 _cell_length_b 6.89745915 _cell_length_c 6.89745915 _cell_angle_alpha 132.34679600 _cell_angle_beta 132.34679600 _cell_angle_gamma 69.68184872 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
119
119
# generated using pymatgen data_Ag2SnBiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57273400 _cell_length_b 5.57273400 _cell_length_c 11.32205999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,863
32,054
mp-1104573
-1.086957
0.2481
RbCu2(SeO5)2
0.025478
['Cu', 'O', 'Rb', 'Se']
# generated using pymatgen data_RbCu2(SeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81420736 _cell_length_b 5.81420736 _cell_length_c 8.33993524 _cell_angle_alpha 98.85092101 _cell_angle_beta 104.38230885 _cell_angle_gamma 115.02433295 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
12
12
# generated using pymatgen data_RbCu2(SeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80863200 _cell_length_b 6.24586000 _cell_length_c 8.90339994 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.89091639 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,864
40,834
mp-36480
-2.984077
0
La2CuO4
0.057945
['La', 'Cu', 'O']
# generated using pymatgen data_La2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07819620 _cell_length_b 7.07819620 _cell_length_c 5.54339200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.53493253 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
64
64
# generated using pymatgen data_La2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35630400 _cell_length_b 13.10394800 _cell_length_c 5.54339200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,865
28,630
mp-1187423
-0.305524
0
Ti2BeTc
0.015432
['Be', 'Tc', 'Ti']
# generated using pymatgen data_Ti2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31444879 _cell_length_b 4.31444879 _cell_length_c 4.31444879 _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_Ti2BeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10155199 _cell_length_b 6.10155199 _cell_length_c 6.10155199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,866
22,997
mp-998561
-2.661434
5.3197
CsSrCl3
0.003564
['Cl', 'Cs', 'Sr']
# generated using pymatgen data_CsSrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00721656 _cell_length_b 8.00721656 _cell_length_c 8.00721725 _cell_angle_alpha 60.72271413 _cell_angle_beta 60.72271413 _cell_angle_gamma 60.72271313 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
161
161
# generated using pymatgen data_CsSrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09452624 _cell_length_b 8.09452624 _cell_length_c 19.50578421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,867
20,390
mp-6440
-3.476084
2.9095
CaTiSiO5
0.000118
['Ca', 'O', 'Si', 'Ti']
# generated using pymatgen data_CaTiSiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50872171 _cell_length_b 5.50872171 _cell_length_c 7.13048808 _cell_angle_alpha 75.72078191 _cell_angle_beta 75.72078191 _cell_angle_gamma 105.56592234 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
15
15
# generated using pymatgen data_CaTiSiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66374600 _cell_length_b 8.77374200 _cell_length_c 7.13048808 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.06623342 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,868
13,195
mp-1222744
-0.783952
0.2462
LaZnCuP2
0
['Cu', 'La', 'P', 'Zn']
# generated using pymatgen data_LaZnCuP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07694753 _cell_length_b 4.07694753 _cell_length_c 6.79457400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999244 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
156
156
# generated using pymatgen data_LaZnCuP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07694753 _cell_length_b 4.07694753 _cell_length_c 6.79457400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,869
24,635
mp-1190020
-1.367892
1.1162
AlBi2Se2BrCl4
0.00735
['Al', 'Bi', 'Br', 'Cl', 'Se']
# generated using pymatgen data_AlBi2Se2BrCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07324600 _cell_length_b 8.34293498 _cell_length_c 11.56065247 _cell_angle_alpha 69.10267177 _cell_angle_beta 73.75288047 _cell_angle_gamma 72.89582041 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
2
2
# generated using pymatgen data_AlBi2Se2BrCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07324600 _cell_length_b 8.34293498 _cell_length_c 11.56065247 _cell_angle_alpha 69.10267177 _cell_angle_beta 73.75288047 _cell_angle_gamma 72.89582041 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
25,870
448
mp-31055
-1.191879
0
Sc3InN
0
['Sc', 'In', 'N']
# generated using pymatgen data_Sc3InN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47460500 _cell_length_b 4.47460500 _cell_length_c 4.47460500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
221
221
# generated using pymatgen data_Sc3InN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47460500 _cell_length_b 4.47460500 _cell_length_c 4.47460500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,871
28,652
mp-1208026
-1.246501
2.3073
TlFe(SeO4)2
0.015062
['Fe', 'O', 'Se', 'Tl']
# generated using pymatgen data_TlFe(SeO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19943629 _cell_length_b 5.19943629 _cell_length_c 9.09409400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000373 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
150
150
# generated using pymatgen data_TlFe(SeO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19943629 _cell_length_b 5.19943629 _cell_length_c 9.09409400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,872
25,139
mp-1188122
-1.876168
1.1854
Ba2ErInSe5
0.008465
['Ba', 'Er', 'In', 'Se']
# generated using pymatgen data_Ba2ErInSe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75317920 _cell_length_b 9.75317920 _cell_length_c 13.49221300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 154.55977724 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
36
36
# generated using pymatgen data_Ba2ErInSe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29507800 _cell_length_b 19.02762000 _cell_length_c 13.49221300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,873
23,082
mp-1184077
-0.486328
0
Er2ZnGa
0.004237
['Er', 'Ga', 'Zn']
# generated using pymatgen data_Er2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00345506 _cell_length_b 5.00345506 _cell_length_c 5.00345506 _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_Er2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07595400 _cell_length_b 7.07595400 _cell_length_c 7.07595400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,874
15,384
mp-5899
-3.672471
4.4309
NdAlO3
0
['Al', 'Nd', 'O']
# generated using pymatgen data_NdAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33349377 _cell_length_b 5.33349377 _cell_length_c 5.33349386 _cell_angle_alpha 60.59373814 _cell_angle_beta 60.59373814 _cell_angle_gamma 60.59373073 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
167
167
# generated using pymatgen data_NdAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38128632 _cell_length_b 5.38128632 _cell_length_c 13.00540942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,875
1,364
mp-375
-3.612178
1.6463
UO3
0
['U', 'O']
# generated using pymatgen data_UO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16479700 _cell_length_b 4.16479700 _cell_length_c 4.16479700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UO3...
221
221
# generated using pymatgen data_UO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16479700 _cell_length_b 4.16479700 _cell_length_c 4.16479700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UO3...
25,876
27,573
mp-1147665
-2.64388
0
K4MgCu3F12
0.012985
['Cu', 'F', 'K', 'Mg']
# generated using pymatgen data_K4MgCu3F12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06106712 _cell_length_b 7.06106712 _cell_length_c 7.06106712 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
229
229
# generated using pymatgen data_K4MgCu3F12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15341801 _cell_length_b 8.15341801 _cell_length_c 8.15341801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,877
34,511
mp-1026975
-1.113415
0.8154
MoWSeS3
0.033456
['Mo', 'S', 'Se', 'W']
# generated using pymatgen data_MoWSeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22026226 _cell_length_b 3.22026226 _cell_length_c 36.37122100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000536 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
156
156
# generated using pymatgen data_MoWSeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22026226 _cell_length_b 3.22026226 _cell_length_c 36.37122100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,878
22,714
mp-1224070
-0.916597
2.5935
HgBrCl
0.003735
['Br', 'Cl', 'Hg']
# generated using pymatgen data_HgBrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29101200 _cell_length_b 7.43546500 _cell_length_c 13.59534700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
19
19
# generated using pymatgen data_HgBrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29101200 _cell_length_b 7.43546500 _cell_length_c 13.59534700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,879
7,324
mp-3349
-3.493004
1.8758
Sr3Ti2O7
0
['Sr', 'Ti', 'O']
# generated using pymatgen data_Sr3Ti2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62778174 _cell_length_b 10.62778174 _cell_length_c 10.62778174 _cell_angle_alpha 158.63039751 _cell_angle_beta 158.63039751 _cell_angle_gamma 30.40171402 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
139
139
# generated using pymatgen data_Sr3Ti2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94090800 _cell_length_b 3.94090800 _cell_length_c 20.51188600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,880
22,465
mp-8976
-0.746246
1.6202
Cu2WS4
0.002735
['Cu', 'W', 'S']
# generated using pymatgen data_Cu2WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45562300 _cell_length_b 5.45562300 _cell_length_c 5.69899100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
111
111
# generated using pymatgen data_Cu2WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45562300 _cell_length_b 5.45562300 _cell_length_c 5.69899100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,881
23,530
mp-1080523
-0.378424
0
Ho3Ni2
0.005092
['Ho', 'Ni']
# generated using pymatgen data_Ho3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81104682 _cell_length_b 6.81104682 _cell_length_c 9.38684106 _cell_angle_alpha 74.84637729 _cell_angle_beta 74.84637729 _cell_angle_gamma 31.42290680 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ho3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.11314000 _cell_length_b 3.68876600 _cell_length_c 9.38684106 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.75675201 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,882
6,580
mp-1105784
-0.983698
0
DySiPd2
0
['Dy', 'Pd', 'Si']
# generated using pymatgen data_DySiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54440100 _cell_length_b 6.96499300 _cell_length_c 7.35394500 _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_DySiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54440100 _cell_length_b 6.96499300 _cell_length_c 7.35394500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,883
2,505
mp-1018946
-0.540048
0
PrZnGa
0
['Ga', 'Pr', 'Zn']
# generated using pymatgen data_PrZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50987361 _cell_length_b 4.50987361 _cell_length_c 7.76824000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999426 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_PrZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50987361 _cell_length_b 4.50987361 _cell_length_c 7.76824000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,884
27,892
mp-5984
-0.575799
0
Y(BRh)4
0.01265
['B', 'Rh', 'Y']
# generated using pymatgen data_Y(BRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34709800 _cell_length_b 5.34709800 _cell_length_c 7.47089200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
137
137
# generated using pymatgen data_Y(BRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34709800 _cell_length_b 5.34709800 _cell_length_c 7.47089200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,885
34,049
mp-1102150
-1.154614
0
LuAsPt
0.032158
['As', 'Lu', 'Pt']
# generated using pymatgen data_LuAsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24254634 _cell_length_b 4.24254634 _cell_length_c 15.28763000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000523 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_LuAsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24254634 _cell_length_b 4.24254634 _cell_length_c 15.28763000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,886
21,248
mp-1227713
-2.091473
1.167
Ca2Tl2O5
0.000986
['Ca', 'O', 'Tl']
# generated using pymatgen data_Ca2Tl2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91683266 _cell_length_b 5.91683266 _cell_length_c 13.68466500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.58710169 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
36
36
# generated using pymatgen data_Ca2Tl2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40180400 _cell_length_b 11.33416801 _cell_length_c 13.68466500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,887
32,679
mp-1216941
-1.06637
0
U2MnFeSe6
0.025671
['Fe', 'Mn', 'Se', 'U']
# generated using pymatgen data_U2MnFeSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89132200 _cell_length_b 6.29357752 _cell_length_c 9.34328999 _cell_angle_alpha 90.17611824 _cell_angle_beta 90.00000000 _cell_angle_gamma 71.99197254 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_U2MnFeSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.97055074 _cell_length_b 3.89132200 _cell_length_c 9.34328999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.18519014 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,888
29,030
mp-1079918
-2.672169
4.8098
CaCO3
0.016216
['C', 'Ca', 'O']
# generated using pymatgen data_CaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83002900 _cell_length_b 5.12298211 _cell_length_c 6.64126584 _cell_angle_alpha 95.21131059 _cell_angle_beta 105.68559479 _cell_angle_gamma 90.60130008 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_CaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83002900 _cell_length_b 5.12298211 _cell_length_c 6.64126584 _cell_angle_alpha 95.21131059 _cell_angle_beta 105.68559479 _cell_angle_gamma 90.60130008 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,889
15,200
mp-1226043
-2.685692
1.828
CsFeCoF6
0
['Co', 'Cs', 'F', 'Fe']
# generated using pymatgen data_CsFeCoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46864622 _cell_length_b 7.46864622 _cell_length_c 7.46864622 _cell_angle_alpha 120.69858215 _cell_angle_beta 119.40738052 _cell_angle_gamma 89.91190116 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
74
74
# generated using pymatgen data_CsFeCoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38964600 _cell_length_b 7.53544600 _cell_length_c 10.57037800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,890
13,172
mp-1216793
-0.801372
0
UNiP2
0
['Ni', 'P', 'U']
# generated using pymatgen data_UNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79113800 _cell_length_b 3.79604400 _cell_length_c 13.32563800 _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_UNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79113800 _cell_length_b 3.79604400 _cell_length_c 13.32563800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,891
36,780
mp-1246701
-1.352006
0
MgTiMnS4
0.040662
['Mg', 'Mn', 'S', 'Ti']
# generated using pymatgen data_MgTiMnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19852129 _cell_length_b 7.37247860 _cell_length_c 7.37415355 _cell_angle_alpha 59.69463380 _cell_angle_beta 60.78367497 _cell_angle_gamma 60.77938940 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_MgTiMnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19852129 _cell_length_b 7.33925774 _cell_length_c 10.57265257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,892
43,534
mp-1076454
-3.258492
0
Sr2Ti2O5
0.072571
['O', 'Sr', 'Ti']
# generated using pymatgen data_Sr2Ti2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87524498 _cell_length_b 8.87524498 _cell_length_c 8.87524498 _cell_angle_alpha 142.88375711 _cell_angle_beta 142.69448788 _cell_angle_gamma 53.64204544 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
46
46
# generated using pymatgen data_Sr2Ti2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64938600 _cell_length_b 5.67717200 _cell_length_c 15.84089801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,893
14,661
mp-1212520
-4.200542
4.4744
GdZrF7
0
['F', 'Gd', 'Zr']
# generated using pymatgen data_GdZrF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77725600 _cell_length_b 6.20830924 _cell_length_c 8.39531614 _cell_angle_alpha 101.82887276 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_GdZrF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20830924 _cell_length_b 5.77725600 _cell_length_c 8.39531614 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.82887276 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,894
1,082
mp-1105703
-0.954205
0
Ce2Si5Ir3
0
['Ce', 'Ir', 'Si']
# generated using pymatgen data_Ce2Si5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19873794 _cell_length_b 8.19873794 _cell_length_c 8.19873794 _cell_angle_alpha 137.84942610 _cell_angle_beta 104.73369598 _cell_angle_gamma 90.24576896 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
72
72
# generated using pymatgen data_Ce2Si5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89644000 _cell_length_b 10.01235600 _cell_length_c 11.56987200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,895
4,993
mp-979045
-0.621942
0
Tm2CuPd
0
['Cu', 'Pd', 'Tm']
# generated using pymatgen data_Tm2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86811058 _cell_length_b 4.86811058 _cell_length_c 4.86811058 _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_Tm2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88454801 _cell_length_b 6.88454801 _cell_length_c 6.88454801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,896
39,946
mp-764103
-2.238241
0
Mn6O7F5
0.051961
['F', 'Mn', 'O']
# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72254598 _cell_length_b 4.72254598 _cell_length_c 9.11144300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.82714989 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26917053 _cell_length_b 7.06450727 _cell_length_c 9.11144300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,897
6,704
mp-1220300
-1.016696
0
Nd2Si4RuRh3
0
['Nd', 'Rh', 'Ru', 'Si']
# generated using pymatgen data_Nd2Si4RuRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14039000 _cell_length_b 4.14039000 _cell_length_c 10.11512100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
115
115
# generated using pymatgen data_Nd2Si4RuRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14039000 _cell_length_b 4.14039000 _cell_length_c 10.11512100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,898
38,842
mp-4662
-4.078827
4.5752
ScOF
0.047729
['Sc', 'O', 'F']
# generated using pymatgen data_ScOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93825800 _cell_length_b 5.33998400 _cell_length_c 5.81576340 _cell_angle_alpha 89.54622102 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc...
14
14
# generated using pymatgen data_ScOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33998400 _cell_length_b 4.93825800 _cell_length_c 5.81576340 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.45377898 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc...
25,899
28,780
mp-1228307
-3.022
2.0237
Ba4Ce2In2O11
0.016033
['Ba', 'Ce', 'In', 'O']
# generated using pymatgen data_Ba4Ce2In2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15228549 _cell_length_b 6.12935247 _cell_length_c 8.86220100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.92049664 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
6
6
# generated using pymatgen data_Ba4Ce2In2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12935247 _cell_length_b 8.86220100 _cell_length_c 6.15228549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.07950336 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...