Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
-5.15
0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
0
0.08
elements
stringlengths
5
40
cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
1
229
cif.conv
stringlengths
696
5.07k
23,700
43,172
mp-1217171
-0.36801
0
TiAlFe
0.070457
['Al', 'Fe', 'Ti']
# generated using pymatgen data_TiAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89819450 _cell_length_b 4.96473139 _cell_length_c 8.00153000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.46316572 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_TiAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96473139 _cell_length_b 8.44404932 _cell_length_c 8.00153000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,701
38,892
mp-753371
-0.860485
1.8164
LiCuS
0.04857
['Li', 'Cu', 'S']
# generated using pymatgen data_LiCuS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57352667 _cell_length_b 7.57352667 _cell_length_c 7.57352667 _cell_angle_alpha 95.67815663 _cell_angle_beta 95.67815663 _cell_angle_gamma 143.33295239 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_LiCuS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.16693200 _cell_length_b 10.16693200 _cell_length_c 4.76447400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,702
4,841
mp-30755
-0.733309
0
La2Sn5Rh3
0
['La', 'Rh', 'Sn']
# generated using pymatgen data_La2Sn5Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12301869 _cell_length_b 9.12301869 _cell_length_c 9.12301869 _cell_angle_alpha 138.43801534 _cell_angle_beta 106.10652901 _cell_angle_gamma 88.52948155 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
72
72
# generated using pymatgen data_La2Sn5Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47363600 _cell_length_b 10.96718800 _cell_length_c 13.06639600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,703
22,629
mp-1205933
-0.721782
0
Sm2CdAu2
0.003365
['Au', 'Cd', 'Sm']
# generated using pymatgen data_Sm2CdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12052000 _cell_length_b 8.12052000 _cell_length_c 3.78590800 _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_Sm2CdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12052000 _cell_length_b 8.12052000 _cell_length_c 3.78590800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,704
7,506
mp-1025137
-0.128474
0
NpNi5
0
['Ni', 'Np']
# generated using pymatgen data_NpNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82910559 _cell_length_b 4.82910559 _cell_length_c 3.94692500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999438 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_NpNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82910559 _cell_length_b 4.82910559 _cell_length_c 3.94692500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,705
41,034
mp-1030107
-0.515302
1.2465
Te6MoW3Se2
0.059837
['Mo', 'Se', 'Te', 'W']
# generated using pymatgen data_Te6MoW3Se2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49799566 _cell_length_b 3.49799566 _cell_length_c 39.67632000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999348 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
156
156
# generated using pymatgen data_Te6MoW3Se2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49799566 _cell_length_b 3.49799566 _cell_length_c 39.67632000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,706
20,177
mp-1224717
-4.005219
1.9623
Gd3SOF5
0
['F', 'Gd', 'O', 'S']
# generated using pymatgen data_Gd3SOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75180100 _cell_length_b 9.53397200 _cell_length_c 9.59498912 _cell_angle_alpha 60.49330150 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_Gd3SOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53397200 _cell_length_b 3.75180100 _cell_length_c 9.59498912 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.50669850 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,707
33,352
mp-3896
-1.066047
0
Y(SiIr)2
0.027436
['Y', 'Si', 'Ir']
# generated using pymatgen data_Y(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14000900 _cell_length_b 4.14000900 _cell_length_c 9.85594000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_Y(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14000900 _cell_length_b 4.14000900 _cell_length_c 9.85594000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,708
28,770
mp-1227508
-0.589057
1.0106
BiSbSe3
0.015029
['Bi', 'Sb', 'Se']
# generated using pymatgen data_BiSbSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11369100 _cell_length_b 11.63559400 _cell_length_c 12.41788500 _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_BiSbSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11369100 _cell_length_b 11.63559400 _cell_length_c 12.41788500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,709
38,806
mp-21080
-0.516585
0
La(NiSn)2
0.048904
['La', 'Ni', 'Sn']
# generated using pymatgen data_La(NiSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13246904 _cell_length_b 6.13246904 _cell_length_c 6.13246904 _cell_angle_alpha 137.13742762 _cell_angle_beta 137.13742762 _cell_angle_gamma 62.22667058 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_La(NiSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48142600 _cell_length_b 4.48142600 _cell_length_c 10.50058799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,710
6,721
mp-1226264
-0.992123
0
Cr4GaS8
0
['Cr', 'Ga', 'S']
# generated using pymatgen data_Cr4GaS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01718345 _cell_length_b 7.01718345 _cell_length_c 7.01718345 _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_Cr4GaS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92379600 _cell_length_b 9.92379600 _cell_length_c 9.92379600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,711
35,636
mp-1185999
0.008314
0
MgPb2
0.036527
['Mg', 'Pb']
# generated using pymatgen data_MgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51567983 _cell_length_b 3.51567983 _cell_length_c 16.03381500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999688 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_MgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51567983 _cell_length_b 3.51567983 _cell_length_c 16.03381500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,712
23,453
mp-866280
-0.551135
0
CaSmRh2
0.005023
['Ca', 'Rh', 'Sm']
# generated using pymatgen data_CaSmRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89590694 _cell_length_b 4.89590694 _cell_length_c 4.89590694 _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_CaSmRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92385799 _cell_length_b 6.92385799 _cell_length_c 6.92385799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,713
32,574
mp-1113034
-1.666671
2.967
Cs2KSbBr6
0.026241
['Br', 'Cs', 'K', 'Sb']
# generated using pymatgen data_Cs2KSbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46800817 _cell_length_b 8.46800817 _cell_length_c 8.46800817 _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_Cs2KSbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.97557200 _cell_length_b 11.97557200 _cell_length_c 11.97557200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,714
4,025
mp-1025296
-0.543686
0
SnPPd5
0
['Sn', 'P', 'Pd']
# generated using pymatgen data_SnPPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00109700 _cell_length_b 4.00109700 _cell_length_c 7.03906900 _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_SnPPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00109700 _cell_length_b 4.00109700 _cell_length_c 7.03906900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,715
12,885
mp-626417
-1.445242
4.1021
CsH3O2
0
['Cs', 'H', 'O']
# generated using pymatgen data_CsH3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63087534 _cell_length_b 4.63087534 _cell_length_c 4.42664500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.76161882 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_CsH3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43624800 _cell_length_b 8.13017400 _cell_length_c 4.42664500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,716
29,821
mp-12978
-2.089336
0.9778
SnO2
0.018145
['O', 'Sn']
# generated using pymatgen data_SnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79297800 _cell_length_b 5.31340700 _cell_length_c 5.83085000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
60
60
# generated using pymatgen data_SnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79297800 _cell_length_b 5.31340700 _cell_length_c 5.83085000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
23,717
26,245
mp-1225215
-0.337826
0
EuGaCu
0.01037
['Cu', 'Eu', 'Ga']
# generated using pymatgen data_EuGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61351534 _cell_length_b 5.61351534 _cell_length_c 7.38188868 _cell_angle_alpha 51.38668233 _cell_angle_beta 51.38668233 _cell_angle_gamma 47.62352316 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_EuGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27135001 _cell_length_b 4.53272400 _cell_length_c 7.38188868 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.00999832 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,718
35,674
mp-1214693
-2.22983
0
Ba2DyCoCu2O7
0.035911
['Ba', 'Co', 'Cu', 'Dy', 'O']
# generated using pymatgen data_Ba2DyCoCu2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85642400 _cell_length_b 3.91213600 _cell_length_c 11.85554400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
47
47
# generated using pymatgen data_Ba2DyCoCu2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85642400 _cell_length_b 3.91213600 _cell_length_c 11.85554400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,719
41,914
mp-755744
-2.077343
0.4055
Co3OF5
0.062479
['Co', 'F', 'O']
# generated using pymatgen data_Co3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09443500 _cell_length_b 4.76363000 _cell_length_c 14.18754930 _cell_angle_alpha 87.72227283 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
10
10
# generated using pymatgen data_Co3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76363000 _cell_length_b 3.09443500 _cell_length_c 14.18754930 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.27772717 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,720
5,502
mp-10094
-3.395668
0
Tm5(ReO6)2
0
['O', 'Re', 'Tm']
# generated using pymatgen data_Tm5(ReO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75568361 _cell_length_b 6.75568361 _cell_length_c 7.44928657 _cell_angle_alpha 73.76627813 _cell_angle_beta 73.76627813 _cell_angle_gamma 49.20303478 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Tm5(ReO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.28487400 _cell_length_b 5.62484800 _cell_length_c 7.44928657 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.90661560 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,721
450
mp-3278
-0.907643
0
Pr(SiPd)2
0
['Pd', 'Pr', 'Si']
# generated using pymatgen data_Pr(SiPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83764638 _cell_length_b 5.83764638 _cell_length_c 5.83764638 _cell_angle_alpha 137.19611304 _cell_angle_beta 137.19611304 _cell_angle_gamma 62.13644698 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Pr(SiPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26041200 _cell_length_b 4.26041200 _cell_length_c 10.00051200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,722
34,646
mp-1186840
-0.089709
0
Pu3Au
0.033153
['Au', 'Pu']
# generated using pymatgen data_Pu3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59494061 _cell_length_b 6.59107596 _cell_length_c 5.32638302 _cell_angle_alpha 90.00614247 _cell_angle_beta 90.00407475 _cell_angle_gamma 120.06856439 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Pu3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59300828 _cell_length_b 6.59300828 _cell_length_c 5.32638302 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,723
16,280
mp-27360
-1.906214
0
ReBiO4
0
['Re', 'Bi', 'O']
# generated using pymatgen data_ReBiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.91247755 _cell_length_b 7.91247755 _cell_length_c 5.60024400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.73992820 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_ReBiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86324200 _cell_length_b 15.34615799 _cell_length_c 5.60024400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,724
23,006
mp-1017629
-0.25935
0
MgNiH3
0.004985
['Mg', 'Ni', 'H']
# generated using pymatgen data_MgNiH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32856400 _cell_length_b 3.32856400 _cell_length_c 3.32856400 _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_MgNiH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32856400 _cell_length_b 3.32856400 _cell_length_c 3.32856400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,725
37,909
mp-755032
-1.083051
0.1323
Cu3(TeO5)2
0.044701
['Cu', 'O', 'Te']
# generated using pymatgen data_Cu3(TeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20733111 _cell_length_b 5.50715201 _cell_length_c 7.77722236 _cell_angle_alpha 108.47334334 _cell_angle_beta 97.50461636 _cell_angle_gamma 105.17909300 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
2
2
# generated using pymatgen data_Cu3(TeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20733111 _cell_length_b 5.50715201 _cell_length_c 7.97942175 _cell_angle_alpha 67.58358461 _cell_angle_beta 72.06075259 _cell_angle_gamma 74.82090700 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,726
44,793
mp-1276430
-1.280439
0
FeNiO3
0.077534
['Fe', 'Ni', 'O']
# generated using pymatgen data_FeNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05171770 _cell_length_b 5.43156931 _cell_length_c 5.05173500 _cell_angle_alpha 62.28753419 _cell_angle_beta 59.99917527 _cell_angle_gamma 89.99929357 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
146
146
# generated using pymatgen data_FeNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05169919 _cell_length_b 5.05169919 _cell_length_c 13.74620499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,727
4,806
mp-2583
-0.741372
0
TiRh
0
['Ti', 'Rh']
# generated using pymatgen data_TiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98185400 _cell_length_b 2.98185400 _cell_length_c 3.38393200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti...
123
123
# generated using pymatgen data_TiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98185400 _cell_length_b 2.98185400 _cell_length_c 3.38393200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti...
23,728
4,840
mp-30710
-0.268469
0
Pr2Zn17
0
['Pr', 'Zn']
# generated using pymatgen data_Pr2Zn17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87275525 _cell_length_b 6.87275525 _cell_length_c 6.87275553 _cell_angle_alpha 82.68535376 _cell_angle_beta 82.68535376 _cell_angle_gamma 82.68536420 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Pr2Zn17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07974962 _cell_length_b 9.07974962 _cell_length_c 13.33369196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,729
37,321
mp-16358
-0.236882
0
ZnNi2Ge
0.04309
['Zn', 'Ni', 'Ge']
# generated using pymatgen data_ZnNi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10890841 _cell_length_b 4.10890841 _cell_length_c 4.10890841 _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_ZnNi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81087400 _cell_length_b 5.81087400 _cell_length_c 5.81087400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,730
24,402
mp-568971
-0.217757
0.9933
Ag2Se
0.006764
['Ag', 'Se']
# generated using pymatgen data_Ag2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97040300 _cell_length_b 7.14682900 _cell_length_c 7.77430800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
62
62
# generated using pymatgen data_Ag2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97040300 _cell_length_b 7.14682900 _cell_length_c 7.77430800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
23,731
28,674
mp-1215580
-1.025506
1.8575
Zn5SeS4
0.015306
['S', 'Se', 'Zn']
# generated using pymatgen data_Zn5SeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.02683245 _cell_length_b 14.02683245 _cell_length_c 14.02683245 _cell_angle_alpha 164.05017147 _cell_angle_beta 164.05017147 _cell_angle_gamma 22.63051990 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
119
119
# generated using pymatgen data_Zn5SeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89215200 _cell_length_b 3.89215200 _cell_length_c 27.50837000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,732
18,306
mp-2849
-1.705372
0
US2
0
['U', 'S']
# generated using pymatgen data_US2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24970191 _cell_length_b 7.24970191 _cell_length_c 3.93395500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999919 _symmetry_Int_Tables_number 1 _chemical_formula_structural US...
189
189
# generated using pymatgen data_US2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24970191 _cell_length_b 7.24970191 _cell_length_c 3.93395500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural US...
23,733
3,633
mp-1189783
-0.868016
0
PrAlPd2
0
['Al', 'Pd', 'Pr']
# generated using pymatgen data_PrAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92371200 _cell_length_b 7.09761100 _cell_length_c 7.60544500 _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_PrAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92371200 _cell_length_b 7.09761100 _cell_length_c 7.60544500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,734
27,998
mvc-4111
-2.732772
0
Ca2VSbO6
0.012776
['Ca', 'O', 'Sb', 'V']
# generated using pymatgen data_Ca2VSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75325500 _cell_length_b 5.51331800 _cell_length_c 5.68072715 _cell_angle_alpha 89.95019536 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_Ca2VSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51331800 _cell_length_b 7.75325500 _cell_length_c 5.68072715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.04980464 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,735
22,642
mp-1212668
-1.825963
3.1128
GaAg(SO4)2
0.003705
['Ag', 'Ga', 'O', 'S']
# generated using pymatgen data_GaAg(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80046705 _cell_length_b 4.80046705 _cell_length_c 7.45669988 _cell_angle_alpha 87.84630564 _cell_angle_beta 87.84630564 _cell_angle_gamma 65.45927206 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_GaAg(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07660562 _cell_length_b 5.19099000 _cell_length_c 7.45669988 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.56041854 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,736
22,748
mp-1227440
-0.531776
0.3249
Bi2Sb2(TeSe)3
0.003715
['Bi', 'Sb', 'Se', 'Te']
# generated using pymatgen data_Bi2Sb2(TeSe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.52863898 _cell_length_b 20.52863898 _cell_length_c 20.52863863 _cell_angle_alpha 11.89831786 _cell_angle_beta 11.89831786 _cell_angle_gamma 11.89831749 _symmetry_Int_Tables_number 1 _chemical_formula_str...
160
160
# generated using pymatgen data_Bi2Sb2(TeSe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25542005 _cell_length_b 4.25542005 _cell_length_c 61.14326882 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
23,737
34,303
mp-1246058
-0.914823
0
Ca4ReN4
0.031072
['Ca', 'N', 'Re']
# generated using pymatgen data_Ca4ReN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09507489 _cell_length_b 6.03998802 _cell_length_c 8.95382858 _cell_angle_alpha 65.78163583 _cell_angle_beta 77.15044155 _cell_angle_gamma 69.40070623 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Ca4ReN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03998802 _cell_length_b 6.09507489 _cell_length_c 8.50192763 _cell_angle_alpha 89.09832562 _cell_angle_beta 106.16510919 _cell_angle_gamma 110.59929377 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,738
26,505
mp-1025386
-0.194435
0
HgPPt5
0.010983
['Hg', 'P', 'Pt']
# generated using pymatgen data_HgPPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98331700 _cell_length_b 3.98331700 _cell_length_c 7.21908500 _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_HgPPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98331700 _cell_length_b 3.98331700 _cell_length_c 7.21908500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,739
17,620
mp-1188312
-0.766729
0
EuGePd2
0
['Eu', 'Ge', 'Pd']
# generated using pymatgen data_EuGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86595700 _cell_length_b 7.16585600 _cell_length_c 7.64027300 _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_EuGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86595700 _cell_length_b 7.16585600 _cell_length_c 7.64027300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,740
1,342
mp-28954
-0.558723
0
Tl2PdSe2
0
['Tl', 'Pd', 'Se']
# generated using pymatgen data_Tl2PdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74679100 _cell_length_b 6.21106400 _cell_length_c 11.59350600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
55
55
# generated using pymatgen data_Tl2PdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74679100 _cell_length_b 6.21106400 _cell_length_c 11.59350600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,741
14,716
mp-12324
-0.926913
0
CsVP2S7
0
['Cs', 'P', 'S', 'V']
# generated using pymatgen data_CsVP2S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54141808 _cell_length_b 6.54141808 _cell_length_c 7.17018885 _cell_angle_alpha 85.08386592 _cell_angle_beta 85.08386592 _cell_angle_gamma 96.61383900 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_CsVP2S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70192000 _cell_length_b 9.76919599 _cell_length_c 7.17018885 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.40263696 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,742
8,305
mp-30376
-0.69949
0
ErInAu2
0
['Au', 'Er', 'In']
# generated using pymatgen data_ErInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93145744 _cell_length_b 4.93145744 _cell_length_c 4.93145744 _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_ErInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97413399 _cell_length_b 6.97413399 _cell_length_c 6.97413399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,743
40,735
mp-1225054
-0.409988
0
Fe4TeSe3
0.057572
['Fe', 'Se', 'Te']
# generated using pymatgen data_Fe4TeSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62618700 _cell_length_b 7.27582713 _cell_length_c 7.27582713 _cell_angle_alpha 60.89835219 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_Fe4TeSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37439800 _cell_length_b 12.54467600 _cell_length_c 3.62618700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,744
9,096
mp-11482
-0.341538
0
MoIr3
0
['Mo', 'Ir']
# generated using pymatgen data_MoIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54668465 _cell_length_b 5.54668465 _cell_length_c 4.42308300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000774 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_MoIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54668465 _cell_length_b 5.54668465 _cell_length_c 4.42308300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,745
331
mp-862819
-0.414341
0
PaInAu2
0
['Au', 'In', 'Pa']
# generated using pymatgen data_PaInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99436025 _cell_length_b 4.99436025 _cell_length_c 4.99436025 _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_PaInAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06309200 _cell_length_b 7.06309200 _cell_length_c 7.06309200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,746
6,726
mp-1228081
-0.50036
0
BaHgPb
0
['Ba', 'Hg', 'Pb']
# generated using pymatgen data_BaHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74149774 _cell_length_b 6.74149774 _cell_length_c 8.59456253 _cell_angle_alpha 50.62009803 _cell_angle_beta 50.62009803 _cell_angle_gamma 47.82835287 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_BaHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.32553000 _cell_length_b 5.46557200 _cell_length_c 8.59456253 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.95078376 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,747
506
mp-15221
-1.316625
1.988
Rb2NbCuS4
0
['Cu', 'Nb', 'Rb', 'S']
# generated using pymatgen data_Rb2NbCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.98986513 _cell_length_b 12.47726316 _cell_length_c 7.46683337 _cell_angle_alpha 85.16063384 _cell_angle_beta 62.71025399 _cell_angle_gamma 32.12911218 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
70
70
# generated using pymatgen data_Rb2NbCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60702600 _cell_length_b 13.84108600 _cell_length_c 24.31644800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,748
10,696
mp-13683
-0.471527
0
HfGe2
0
['Hf', 'Ge']
# generated using pymatgen data_HfGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72109571 _cell_length_b 7.72109571 _cell_length_c 3.79449700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.20995079 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_HfGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83901800 _cell_length_b 14.95738001 _cell_length_c 3.79449700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,749
2,986
mp-977433
-0.33597
0
ErMgZn2
0
['Er', 'Mg', 'Zn']
# generated using pymatgen data_ErMgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80292382 _cell_length_b 4.80292382 _cell_length_c 4.80292382 _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_ErMgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79236001 _cell_length_b 6.79236001 _cell_length_c 6.79236001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,750
13,046
mp-1095029
-0.742674
0
Dy(BIr)2
0
['B', 'Dy', 'Ir']
# generated using pymatgen data_Dy(BIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20728154 _cell_length_b 6.20596620 _cell_length_c 5.47611031 _cell_angle_alpha 75.90121884 _cell_angle_beta 56.62949380 _cell_angle_gamma 47.46928737 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
70
70
# generated using pymatgen data_Dy(BIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75445800 _cell_length_b 9.31865600 _cell_length_c 10.99737601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,751
34,368
mp-5544
-0.117593
0
U(Al2Cr)4
0.031307
['Al', 'Cr', 'U']
# generated using pymatgen data_U(Al2Cr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75254880 _cell_length_b 6.75254880 _cell_length_c 6.75254880 _cell_angle_alpha 97.87261603 _cell_angle_beta 97.87261603 _cell_angle_gamma 136.55691129 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_U(Al2Cr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87146600 _cell_length_b 8.87146600 _cell_length_c 4.99818400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,752
21,213
mp-1222968
-3.176127
0
LaSm3Cr4O12
0.001333
['Cr', 'La', 'O', 'Sm']
# generated using pymatgen data_LaSm3Cr4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79154000 _cell_length_b 5.45994500 _cell_length_c 5.61053127 _cell_angle_alpha 89.93809373 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
6
6
# generated using pymatgen data_LaSm3Cr4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45994500 _cell_length_b 7.79154000 _cell_length_c 5.61053127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.06190627 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,753
33,572
mp-1114370
-2.678465
3.3671
Rb2TlBiF6
0.029271
['Bi', 'F', 'Rb', 'Tl']
# generated using pymatgen data_Rb2TlBiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97453784 _cell_length_b 6.97453784 _cell_length_c 6.97453784 _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_Rb2TlBiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.86348600 _cell_length_b 9.86348600 _cell_length_c 9.86348600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,754
5,841
mp-4448
-0.418434
0.0762
Y3AlC
0
['Y', 'Al', 'C']
# generated using pymatgen data_Y3AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89527100 _cell_length_b 4.89527100 _cell_length_c 4.89527100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
221
221
# generated using pymatgen data_Y3AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89527100 _cell_length_b 4.89527100 _cell_length_c 4.89527100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
23,755
42,786
mp-13065
-3.965858
4.2423
Ho2O3
0.067809
['Ho', 'O']
# generated using pymatgen data_Ho2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65583390 _cell_length_b 3.65583390 _cell_length_c 5.85859000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999818 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Ho2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65583390 _cell_length_b 3.65583390 _cell_length_c 5.85859000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,756
37,270
mp-1227366
-1.082198
2.9164
BeZn3S4
0.042202
['Be', 'S', 'Zn']
# generated using pymatgen data_BeZn3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75161301 _cell_length_b 3.75161301 _cell_length_c 12.48649123 _cell_angle_alpha 81.35992244 _cell_angle_beta 98.64007756 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
160
160
# generated using pymatgen data_BeZn3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75161301 _cell_length_b 3.75161301 _cell_length_c 36.89157542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,757
20,622
mp-1189731
-1.255036
3.2974
PBr3O
0.000386
['Br', 'O', 'P']
# generated using pymatgen data_PBr3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56422700 _cell_length_b 10.25191100 _cell_length_c 10.60044400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
33
33
# generated using pymatgen data_PBr3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56422700 _cell_length_b 10.25191100 _cell_length_c 10.60044400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,758
20,797
mp-2439
-0.319781
0
ZrNi5
0.000699
['Zr', 'Ni']
# generated using pymatgen data_ZrNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73322572 _cell_length_b 4.73322572 _cell_length_c 4.73322572 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
216
216
# generated using pymatgen data_ZrNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69379201 _cell_length_b 6.69379201 _cell_length_c 6.69379201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
23,759
6,563
mp-1103090
-0.699181
0
Pr3(NiGe)4
0
['Ge', 'Ni', 'Pr']
# generated using pymatgen data_Pr3(NiGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16747200 _cell_length_b 4.17389200 _cell_length_c 12.38237659 _cell_angle_alpha 80.29696253 _cell_angle_beta 80.31203108 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Pr3(NiGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16747200 _cell_length_b 4.17389200 _cell_length_c 24.05210599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,760
17,267
mp-20909
-0.294564
0
La3In
0
['In', 'La']
# generated using pymatgen data_La3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07676600 _cell_length_b 5.07676600 _cell_length_c 5.07676600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
221
221
# generated using pymatgen data_La3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07676600 _cell_length_b 5.07676600 _cell_length_c 5.07676600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
23,761
4,895
mp-568967
-0.490805
0
Ba5Ga5Sn
0
['Ba', 'Ga', 'Sn']
# generated using pymatgen data_Ba5Ga5Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07573897 _cell_length_b 6.07573897 _cell_length_c 11.00960100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998881 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
187
187
# generated using pymatgen data_Ba5Ga5Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07573897 _cell_length_b 6.07573897 _cell_length_c 11.00960100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,762
8,744
mp-16753
-0.33229
0
LuCuPb
0
['Lu', 'Cu', 'Pb']
# generated using pymatgen data_LuCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57031261 _cell_length_b 4.57031261 _cell_length_c 7.25051800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000884 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_LuCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57031261 _cell_length_b 4.57031261 _cell_length_c 7.25051800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,763
39,135
mp-1184009
-0.089309
0
GaCo3
0.051615
['Co', 'Ga']
# generated using pymatgen data_GaCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08567993 _cell_length_b 5.08567993 _cell_length_c 4.11054300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999915 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_GaCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08567993 _cell_length_b 5.08567993 _cell_length_c 4.11054300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,764
45,075
mp-1215200
0.079636
0
ZrTi
0.079636
['Ti', 'Zr']
# generated using pymatgen data_ZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10899419 _cell_length_b 3.10899419 _cell_length_c 4.92046700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
187
187
# generated using pymatgen data_ZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10899419 _cell_length_b 3.10899419 _cell_length_c 4.92046700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
23,765
17,164
mp-1209373
-2.700597
3.2957
Rb3GdV2O8
0
['Gd', 'O', 'Rb', 'V']
# generated using pymatgen data_Rb3GdV2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13734106 _cell_length_b 6.13734106 _cell_length_c 7.90922300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998988 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Rb3GdV2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13734106 _cell_length_b 6.13734106 _cell_length_c 7.90922300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,766
8,510
mp-1025201
-1.733446
1.9238
Rb2PdCl4
0
['Rb', 'Pd', 'Cl']
# generated using pymatgen data_Rb2PdCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31250600 _cell_length_b 7.31250600 _cell_length_c 4.50291500 _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_Rb2PdCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31250600 _cell_length_b 7.31250600 _cell_length_c 4.50291500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,767
9,323
mp-3805
-0.400859
0
Al(FeB)2
0
['Al', 'Fe', 'B']
# generated using pymatgen data_Al(FeB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69553771 _cell_length_b 5.69553771 _cell_length_c 2.86311400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.34349622 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_Al(FeB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91523200 _cell_length_b 11.01172201 _cell_length_c 2.86311400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,768
1,501
mp-1001786
-2.023155
1.5296
LiScS2
0
['Li', 'Sc', 'S']
# generated using pymatgen data_LiScS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44268809 _cell_length_b 6.44268809 _cell_length_c 6.44268864 _cell_angle_alpha 33.28254842 _cell_angle_beta 33.28254842 _cell_angle_gamma 33.28254360 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_LiScS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69009634 _cell_length_b 3.69009634 _cell_length_c 18.24071419 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,769
45,186
mp-755167
-1.539617
1.2726
InCoO3
0.078911
['Co', 'In', 'O']
# generated using pymatgen data_InCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12414200 _cell_length_b 5.31383300 _cell_length_c 7.43516900 _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_InCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12414200 _cell_length_b 5.31383300 _cell_length_c 7.43516900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,770
4,110
mp-1186378
-0.648336
0
NdGdIr2
0
['Gd', 'Ir', 'Nd']
# generated using pymatgen data_NdGdIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96811527 _cell_length_b 4.96811527 _cell_length_c 4.96811527 _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_NdGdIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02597599 _cell_length_b 7.02597599 _cell_length_c 7.02597599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,771
17,338
mp-510456
-2.466073
3.1226
Zr(MoO4)2
0
['Zr', 'Mo', 'O']
# generated using pymatgen data_Zr(MoO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95986569 _cell_length_b 5.95986569 _cell_length_c 6.58136000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999655 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Zr(MoO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95986569 _cell_length_b 5.95986569 _cell_length_c 6.58136000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,772
41,210
mp-1219108
-0.350126
0
SmAlCu
0.059597
['Al', 'Cu', 'Sm']
# generated using pymatgen data_SmAlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45359874 _cell_length_b 5.45359874 _cell_length_c 5.45359874 _cell_angle_alpha 119.29420982 _cell_angle_beta 119.08839494 _cell_angle_gamma 91.40659736 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_SmAlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51167400 _cell_length_b 5.52857000 _cell_length_c 7.61730400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,773
26,332
mp-29828
-0.645499
0
K2Cu2Te5
0.01061
['Cu', 'K', 'Te']
# generated using pymatgen data_K2Cu2Te5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95441065 _cell_length_b 6.95441065 _cell_length_c 12.18505900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.24080175 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
63
63
# generated using pymatgen data_K2Cu2Te5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75346600 _cell_length_b 11.54725400 _cell_length_c 12.18505900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,774
7,508
mp-1025289
-0.581734
0
Ce2Fe2Si2C
0
['C', 'Ce', 'Fe', 'Si']
# generated using pymatgen data_Ce2Fe2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67495536 _cell_length_b 5.67495536 _cell_length_c 7.00749957 _cell_angle_alpha 52.65486235 _cell_angle_beta 52.65486235 _cell_angle_gamma 40.98932364 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Ce2Fe2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.63151601 _cell_length_b 3.97383200 _cell_length_c 7.00749957 _cell_angle_alpha 90.00000000 _cell_angle_beta 130.36128489 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,775
37,631
mp-1186162
-0.361669
0.1239
NaCu3Te2
0.044219
['Cu', 'Na', 'Te']
# generated using pymatgen data_NaCu3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29058902 _cell_length_b 8.29058902 _cell_length_c 8.29058856 _cell_angle_alpha 29.89585562 _cell_angle_beta 29.89585562 _cell_angle_gamma 29.89584927 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_NaCu3Te2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27696638 _cell_length_b 4.27696638 _cell_length_c 23.74294519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,776
37,289
mp-1246178
-0.887866
0
Ba3WN3
0.042476
['Ba', 'N', 'W']
# generated using pymatgen data_Ba3WN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46456500 _cell_length_b 8.46449827 _cell_length_c 5.68407300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99947244 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
176
176
# generated using pymatgen data_Ba3WN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46453164 _cell_length_b 8.46453164 _cell_length_c 5.68407300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,777
27,397
mp-672702
-0.220687
0
UInNi4
0.011629
['In', 'Ni', 'U']
# generated using pymatgen data_UInNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95677752 _cell_length_b 4.95677752 _cell_length_c 4.95677752 _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_UInNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00994199 _cell_length_b 7.00994199 _cell_length_c 7.00994199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,778
44,790
mp-1247158
-0.967595
0.5948
Mg2CrCo3S8
0.0767
['Co', 'Cr', 'Mg', 'S']
# generated using pymatgen data_Mg2CrCo3S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01108867 _cell_length_b 6.97949583 _cell_length_c 7.01026986 _cell_angle_alpha 59.96752047 _cell_angle_beta 60.11093128 _cell_angle_gamma 59.94404740 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Mg2CrCo3S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01635043 _cell_length_b 7.01635043 _cell_length_c 17.07998367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,779
30,651
mp-1206921
-0.71718
0
TiAsPd
0.020624
['As', 'Pd', 'Ti']
# generated using pymatgen data_TiAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59438841 _cell_length_b 6.59438841 _cell_length_c 3.82517100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000408 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_TiAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59438841 _cell_length_b 6.59438841 _cell_length_c 3.82517100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,780
11,873
mp-567517
-0.835472
0
Er5(CoTe)2
0
['Co', 'Er', 'Te']
# generated using pymatgen data_Er5(CoTe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72046423 _cell_length_b 7.72046423 _cell_length_c 14.94901500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.66123904 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
63
63
# generated using pymatgen data_Er5(CoTe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91027600 _cell_length_b 14.93760400 _cell_length_c 14.94901500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,781
31,338
mp-23516
-0.90562
0
Cu2Cl2O
0.021538
['Cl', 'Cu', 'O']
# generated using pymatgen data_Cu2Cl2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85116421 _cell_length_b 6.40079332 _cell_length_c 6.19251964 _cell_angle_alpha 65.89288702 _cell_angle_beta 58.51537853 _cell_angle_gamma 55.59173445 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
70
70
# generated using pymatgen data_Cu2Cl2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04723600 _cell_length_b 9.41441400 _cell_length_c 9.95603401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,782
5,117
mp-1186643
-0.566959
0
PmSmGa2
0
['Ga', 'Pm', 'Sm']
# generated using pymatgen data_PmSmGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18257652 _cell_length_b 5.18257652 _cell_length_c 5.18257652 _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_PmSmGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32927000 _cell_length_b 7.32927000 _cell_length_c 7.32927000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,783
16,618
mp-1186631
-0.393086
0
PmPrTl2
0
['Pm', 'Pr', 'Tl']
# generated using pymatgen data_PmPrTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53234547 _cell_length_b 5.53234547 _cell_length_c 5.53234547 _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_PmPrTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82391800 _cell_length_b 7.82391800 _cell_length_c 7.82391800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,784
42,897
mp-755549
-2.937961
2.5519
Y2TeO6
0.066948
['O', 'Te', 'Y']
# generated using pymatgen data_Y2TeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00483000 _cell_length_b 5.00483000 _cell_length_c 10.11392900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
136
136
# generated using pymatgen data_Y2TeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00483000 _cell_length_b 5.00483000 _cell_length_c 10.11392900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,785
29,620
mp-1185080
0.01747
0
KRb3
0.01747
['K', 'Rb']
# generated using pymatgen data_KRb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01945000 _cell_length_b 7.01945000 _cell_length_c 7.01945000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KR...
221
221
# generated using pymatgen data_KRb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01945000 _cell_length_b 7.01945000 _cell_length_c 7.01945000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KR...
23,786
7,683
mp-1221427
-1.28054
0
Na(V3S4)2
0
['Na', 'S', 'V']
# generated using pymatgen data_Na(V3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.11311467 _cell_length_b 9.11311467 _cell_length_c 3.25861000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000483 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
147
147
# generated using pymatgen data_Na(V3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.11311467 _cell_length_b 9.11311467 _cell_length_c 3.25861000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,787
23,036
mp-1084828
-0.20139
0
La3Al
0.004364
['Al', 'La']
# generated using pymatgen data_La3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26543004 _cell_length_b 7.26543004 _cell_length_c 5.46261900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000040 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_La3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26543004 _cell_length_b 7.26543004 _cell_length_c 5.46261900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,788
16,035
mp-1079703
-0.784428
0
SmSb2Au
0
['Au', 'Sb', 'Sm']
# generated using pymatgen data_SmSb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42305300 _cell_length_b 4.42305300 _cell_length_c 10.28045700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_SmSb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42305300 _cell_length_b 4.42305300 _cell_length_c 10.28045700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,789
9,534
mp-1079508
-0.393752
0
Y2InCu2
0
['Cu', 'In', 'Y']
# generated using pymatgen data_Y2InCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67991500 _cell_length_b 7.67991500 _cell_length_c 3.67317500 _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_Y2InCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67991500 _cell_length_b 7.67991500 _cell_length_c 3.67317500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,790
32,879
mp-568388
-0.483925
0.8341
BiI
0.027
['Bi', 'I']
# generated using pymatgen data_BiI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11462044 _cell_length_b 8.11462044 _cell_length_c 11.03965279 _cell_angle_alpha 74.31796653 _cell_angle_beta 74.31796653 _cell_angle_gamma 31.59599554 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi...
12
12
# generated using pymatgen data_BiI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.61622201 _cell_length_b 4.41835600 _cell_length_c 11.03965279 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.31447591 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,791
8,407
mp-7090
-0.573006
1.076
NaMgSb
0
['Na', 'Mg', 'Sb']
# generated using pymatgen data_NaMgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65876600 _cell_length_b 4.65876600 _cell_length_c 7.71906400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_NaMgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65876600 _cell_length_b 4.65876600 _cell_length_c 7.71906400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,792
14,656
mp-1211687
-1.333434
0
La5Ge3O
0
['Ge', 'La', 'O']
# generated using pymatgen data_La5Ge3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05225270 _cell_length_b 9.05225270 _cell_length_c 6.62877600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000510 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_La5Ge3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05225270 _cell_length_b 9.05225270 _cell_length_c 6.62877600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,793
10,613
mp-1189098
-0.956864
0.0478
Eu3(AlAs2)2
0
['Al', 'As', 'Eu']
# generated using pymatgen data_Eu3(AlAs2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44842860 _cell_length_b 8.44842860 _cell_length_c 6.76969469 _cell_angle_alpha 89.63839424 _cell_angle_beta 89.63839424 _cell_angle_gamma 75.85526218 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
15
15
# generated using pymatgen data_Eu3(AlAs2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.32803401 _cell_length_b 10.38591800 _cell_length_c 6.76969469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.45843412 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,794
16,629
mp-1189762
-2.794907
0
EuCrO3
0
['Cr', 'Eu', 'O']
# generated using pymatgen data_EuCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47861200 _cell_length_b 5.55654100 _cell_length_c 7.73189100 _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_EuCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47861200 _cell_length_b 5.55654100 _cell_length_c 7.73189100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,795
10,726
mp-20217
-1.389754
0.7967
EuPS3
0
['Eu', 'P', 'S']
# generated using pymatgen data_EuPS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56796100 _cell_length_b 6.69120100 _cell_length_c 11.34753534 _cell_angle_alpha 55.74037134 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_EuPS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69120100 _cell_length_b 7.56796100 _cell_length_c 11.34753534 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.25962866 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,796
22,568
mp-1181189
0.003673
8.1932
H2
0.003673
['H']
# generated using pymatgen data_H2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37263900 _cell_length_b 6.03940400 _cell_length_c 9.85426600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H2 _...
62
62
# generated using pymatgen data_H2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37263900 _cell_length_b 6.03940400 _cell_length_c 9.85426600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H2 _...
23,797
8,542
mp-1079093
-0.564453
0
TmSiAg
0
['Ag', 'Si', 'Tm']
# generated using pymatgen data_TmSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01127006 _cell_length_b 7.01127006 _cell_length_c 4.13555300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000055 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_TmSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01127006 _cell_length_b 7.01127006 _cell_length_c 4.13555300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,798
38,043
mp-1103859
-0.915858
0
Tl(Mo3S4)2
0.045388
['Mo', 'S', 'Tl']
# generated using pymatgen data_Tl(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66215198 _cell_length_b 6.66215198 _cell_length_c 6.66215193 _cell_angle_alpha 88.98488101 _cell_angle_beta 88.98488101 _cell_angle_gamma 88.98487958 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
148
148
# generated using pymatgen data_Tl(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33787405 _cell_length_b 9.33787405 _cell_length_c 11.74183730 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,799
6,241
mp-19389
-2.982741
0
Ba2NdMoO6
0
['Ba', 'Mo', 'Nd', 'O']
# generated using pymatgen data_Ba2NdMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13890291 _cell_length_b 6.13890291 _cell_length_c 6.13890291 _cell_angle_alpha 120.69198967 _cell_angle_beta 120.69198967 _cell_angle_gamma 88.80556006 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
87
87
# generated using pymatgen data_Ba2NdMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07458200 _cell_length_b 6.07458200 _cell_length_c 8.77174001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...