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
700
13,267
mp-21316
-0.820187
0
TaSiIr
0
['Ta', 'Si', 'Ir']
# generated using pymatgen data_TaSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81427900 _cell_length_b 6.43128100 _cell_length_c 7.32752100 _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_TaSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81427900 _cell_length_b 6.43128100 _cell_length_c 7.32752100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
701
31,180
mp-1213011
-0.88927
0
ErSbIr
0.022322
['Er', 'Ir', 'Sb']
# generated using pymatgen data_ErSbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47903900 _cell_length_b 7.12973200 _cell_length_c 7.98613300 _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_ErSbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47903900 _cell_length_b 7.12973200 _cell_length_c 7.98613300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
702
16,898
mp-556275
-2.527796
3.7232
Rb2Al2Sb2O7
0
['Al', 'O', 'Rb', 'Sb']
# generated using pymatgen data_Rb2Al2Sb2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74799552 _cell_length_b 5.74799552 _cell_length_c 8.58503800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999445 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
164
164
# generated using pymatgen data_Rb2Al2Sb2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74799552 _cell_length_b 5.74799552 _cell_length_c 8.58503800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
703
40,334
mp-36539
-0.911282
1.0923
KBiSe2
0.054311
['Bi', 'K', 'Se']
# generated using pymatgen data_KBiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77709613 _cell_length_b 7.77709613 _cell_length_c 7.77709613 _cell_angle_alpha 133.21577064 _cell_angle_beta 133.21577064 _cell_angle_gamma 68.31549584 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_KBiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17535000 _cell_length_b 6.17535000 _cell_length_c 12.87101401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
704
15,864
mp-552008
-2.468236
1.4562
DyBi2ClO4
0
['Dy', 'Bi', 'Cl', 'O']
# generated using pymatgen data_DyBi2ClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89735200 _cell_length_b 3.89735200 _cell_length_c 9.07588200 _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_DyBi2ClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89735200 _cell_length_b 3.89735200 _cell_length_c 9.07588200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
705
40,379
mp-7107
-1.01076
0
Er(SiPt)2
0.054434
['Er', 'Pt', 'Si']
# generated using pymatgen data_Er(SiPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74665039 _cell_length_b 5.74665039 _cell_length_c 5.74665039 _cell_angle_alpha 137.35551833 _cell_angle_beta 137.35551833 _cell_angle_gamma 61.89149993 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Er(SiPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17911200 _cell_length_b 4.17911200 _cell_length_c 9.85728201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
706
40,000
mp-1007637
-0.220878
2.8834
KNaH2
0.055385
['K', 'Na', 'H']
# generated using pymatgen data_KNaH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78323300 _cell_length_b 3.78323300 _cell_length_c 5.33767000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
123
123
# generated using pymatgen data_KNaH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78323300 _cell_length_b 3.78323300 _cell_length_c 5.33767000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
707
21,372
mp-561118
-1.061987
2.0323
ZnS
0.001144
['S', 'Zn']
# generated using pymatgen data_ZnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85340644 _cell_length_b 3.85340644 _cell_length_c 25.18961900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
186
186
# generated using pymatgen data_ZnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85340644 _cell_length_b 3.85340644 _cell_length_c 25.18961900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
708
28,901
mp-644278
-0.601333
0
Y2H2C
0.015111
['Y', 'H', 'C']
# generated using pymatgen data_Y2H2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67190164 _cell_length_b 3.67190164 _cell_length_c 6.02386200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999357 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Y2H2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67190164 _cell_length_b 3.67190164 _cell_length_c 6.02386200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
709
10,370
mp-554702
-3.580522
5.6395
NaZr2NiF11
0
['F', 'Na', 'Ni', 'Zr']
# generated using pymatgen data_NaZr2NiF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71927828 _cell_length_b 5.71927828 _cell_length_c 7.87009535 _cell_angle_alpha 69.24718594 _cell_angle_beta 69.24718594 _cell_angle_gamma 72.78945205 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_NaZr2NiF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20744800 _cell_length_b 6.78700800 _cell_length_c 7.87009535 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.11653744 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
710
41,043
mp-1072011
-0.321089
0
HoCuPb
0.059391
['Cu', 'Ho', 'Pb']
# generated using pymatgen data_HoCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58734362 _cell_length_b 4.58734362 _cell_length_c 7.46865200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999451 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_HoCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58734362 _cell_length_b 4.58734362 _cell_length_c 7.46865200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
711
43,649
mp-1205786
-0.25603
0
Y3Ru2
0.071734
['Ru', 'Y']
# generated using pymatgen data_Y3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74746600 _cell_length_b 7.63970869 _cell_length_c 7.63970919 _cell_angle_alpha 119.99999946 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
176
176
# generated using pymatgen data_Y3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63970885 _cell_length_b 7.63970885 _cell_length_c 4.74746600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
712
38,289
mp-1308540
-1.924841
1.5376
CrO
0.047316
['Cr', 'O']
# generated using pymatgen data_CrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09930201 _cell_length_b 6.62094796 _cell_length_c 6.37632104 _cell_angle_alpha 61.40931254 _cell_angle_beta 88.41399618 _cell_angle_gamma 113.52460888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr...
2
2
# generated using pymatgen data_CrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04390975 _cell_length_b 3.09930201 _cell_length_c 5.40118900 _cell_angle_alpha 90.54969813 _cell_angle_beta 93.86995741 _cell_angle_gamma 94.30132687 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrO...
713
3,762
mp-20059
-0.570863
0
ZrMnGe
0
['Zr', 'Mn', 'Ge']
# generated using pymatgen data_ZrMnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79978600 _cell_length_b 6.74313700 _cell_length_c 7.83990300 _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_ZrMnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79978600 _cell_length_b 6.74313700 _cell_length_c 7.83990300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
714
10,706
mp-1543154
-3.019225
2.8029
MgMnF6
0
['F', 'Mg', 'Mn']
# generated using pymatgen data_MgMnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36269891 _cell_length_b 5.36269891 _cell_length_c 5.36269890 _cell_angle_alpha 58.25307265 _cell_angle_beta 58.25307265 _cell_angle_gamma 58.25306938 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_MgMnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22048013 _cell_length_b 5.22048013 _cell_length_c 13.30663805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
715
21,715
mp-1220405
-0.634844
0
Nd2Fe3CoSi4
0.00195
['Co', 'Fe', 'Nd', 'Si']
# generated using pymatgen data_Nd2Fe3CoSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99548300 _cell_length_b 3.99548300 _cell_length_c 9.77032000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
115
115
# generated using pymatgen data_Nd2Fe3CoSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99548300 _cell_length_b 3.99548300 _cell_length_c 9.77032000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
716
10,523
mp-1068348
-0.60418
0
TmAu4
0
['Au', 'Tm']
# generated using pymatgen data_TmAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22479174 _cell_length_b 5.22479174 _cell_length_c 5.22479174 _cell_angle_alpha 99.32207115 _cell_angle_beta 99.32207115 _cell_angle_gamma 132.53434852 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
87
87
# generated using pymatgen data_TmAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76410200 _cell_length_b 6.76410200 _cell_length_c 4.20566800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
717
27,441
mp-865374
-0.634575
0
Tm2OsPd
0.01253
['Os', 'Pd', 'Tm']
# generated using pymatgen data_Tm2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81775326 _cell_length_b 4.81775326 _cell_length_c 4.81775326 _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_Tm2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81333200 _cell_length_b 6.81333200 _cell_length_c 6.81333200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
718
42,881
mp-754145
-3.987567
4.6812
TbLuO3
0.066262
['Lu', 'O', 'Tb']
# generated using pymatgen data_TbLuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61601800 _cell_length_b 5.88403800 _cell_length_c 8.26636500 _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_TbLuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61601800 _cell_length_b 5.88403800 _cell_length_c 8.26636500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
719
15,576
mp-11121
-1.593607
2.0651
CsTbCdSe3
0
['Cd', 'Cs', 'Se', 'Tb']
# generated using pymatgen data_CsTbCdSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47331189 _cell_length_b 8.47331189 _cell_length_c 11.23763900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.45998401 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
63
63
# generated using pymatgen data_CsTbCdSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32036600 _cell_length_b 16.38665601 _cell_length_c 11.23763900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
720
25,088
mp-1184111
-0.190697
0
Dy2MgCd
0.008192
['Cd', 'Dy', 'Mg']
# generated using pymatgen data_Dy2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33015819 _cell_length_b 5.33015819 _cell_length_c 5.33015819 _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_Dy2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53798200 _cell_length_b 7.53798200 _cell_length_c 7.53798200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
721
6,283
mp-28065
-2.436117
2.5009
ThNCl
0
['Cl', 'N', 'Th']
# generated using pymatgen data_ThNCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09562400 _cell_length_b 4.09562400 _cell_length_c 7.04567400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
129
129
# generated using pymatgen data_ThNCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09562400 _cell_length_b 4.09562400 _cell_length_c 7.04567400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
722
26,828
mp-22643
-0.719763
0
Tb3(CoGe2)2
0.011309
['Co', 'Ge', 'Tb']
# generated using pymatgen data_Tb3(CoGe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76522898 _cell_length_b 5.76522898 _cell_length_c 8.06449586 _cell_angle_alpha 73.62302585 _cell_angle_beta 73.62302585 _cell_angle_gamma 42.34000449 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Tb3(CoGe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.75230201 _cell_length_b 4.16406800 _cell_length_c 8.06449586 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.59948770 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
723
35,549
mp-1100874
-3.494467
4.7952
YBO3
0.036317
['B', 'O', 'Y']
# generated using pymatgen data_YBO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52037900 _cell_length_b 7.90144494 _cell_length_c 8.47554000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 124.89646246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
62
62
# generated using pymatgen data_YBO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52037900 _cell_length_b 6.48066400 _cell_length_c 8.47554000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB...
724
31,361
mp-4888
-2.907303
3.1977
NbPO5
0.022568
['Nb', 'O', 'P']
# generated using pymatgen data_NbPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51318900 _cell_length_b 6.51318900 _cell_length_c 4.21344200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
129
129
# generated using pymatgen data_NbPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51318900 _cell_length_b 6.51318900 _cell_length_c 4.21344200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
725
30,699
mp-1219720
-0.672573
0.5416
PtSeS
0.020834
['Pt', 'S', 'Se']
# generated using pymatgen data_PtSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68248340 _cell_length_b 3.68248340 _cell_length_c 5.42638000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998922 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_PtSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68248340 _cell_length_b 3.68248340 _cell_length_c 5.42638000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
726
15,995
mp-997161
-0.959891
0.5223
CoAuO2
0
['Co', 'Au', 'O']
# generated using pymatgen data_CoAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37293164 _cell_length_b 6.37293164 _cell_length_c 6.37293146 _cell_angle_alpha 26.49800101 _cell_angle_beta 26.49800101 _cell_angle_gamma 26.49799714 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_CoAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92114019 _cell_length_b 2.92114019 _cell_length_c 18.43716711 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
727
18,429
mp-8016
-0.861517
0.8932
AlCuSe2
0
['Al', 'Cu', 'Se']
# generated using pymatgen data_AlCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85276300 _cell_length_b 6.85276300 _cell_length_c 6.85276300 _cell_angle_alpha 131.37564019 _cell_angle_beta 131.37564019 _cell_angle_gamma 71.21694106 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
122
122
# generated using pymatgen data_AlCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64267600 _cell_length_b 5.64267600 _cell_length_c 11.14279400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
728
27,775
mp-1227369
-2.968624
0
BaSrYbReO6
0.012575
['Ba', 'O', 'Re', 'Sr', 'Yb']
# generated using pymatgen data_BaSrYbReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91552947 _cell_length_b 5.91552947 _cell_length_c 5.91552947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
216
216
# generated using pymatgen data_BaSrYbReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36582201 _cell_length_b 8.36582201 _cell_length_c 8.36582201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
729
16,584
mp-1111970
-3.518725
6.7914
Cs2NaPrF6
0
['Cs', 'F', 'Na', 'Pr']
# generated using pymatgen data_Cs2NaPrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63941306 _cell_length_b 6.63941306 _cell_length_c 6.63941306 _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_Cs2NaPrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38954800 _cell_length_b 9.38954800 _cell_length_c 9.38954800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
730
43,421
mp-762163
-2.470161
0
Li3TiMn2O6
0.070639
['Li', 'Mn', 'O', 'Ti']
# generated using pymatgen data_Li3TiMn2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96736936 _cell_length_b 5.94848644 _cell_length_c 7.02455641 _cell_angle_alpha 101.78520063 _cell_angle_beta 77.80688545 _cell_angle_gamma 90.00215266 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Li3TiMn2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.73218286 _cell_length_b 2.96736936 _cell_length_c 5.94848644 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.06076158 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
731
11,500
mp-1001615
-1.592595
0
LiZrSe2
0
['Li', 'Se', 'Zr']
# generated using pymatgen data_LiZrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74097218 _cell_length_b 3.74097218 _cell_length_c 6.70161200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000326 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_LiZrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74097218 _cell_length_b 3.74097218 _cell_length_c 6.70161200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
732
20,976
mp-976347
0.000969
7.1691
Kr
0.000969
['Kr']
# generated using pymatgen data_Kr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46879166 _cell_length_b 4.46879166 _cell_length_c 15.05494400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Kr...
194
194
# generated using pymatgen data_Kr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46879166 _cell_length_b 4.46879166 _cell_length_c 15.05494400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Kr...
733
24,203
mp-1217619
-0.376683
0
TbGa2Co3
0.006489
['Co', 'Ga', 'Tb']
# generated using pymatgen data_TbGa2Co3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05095800 _cell_length_b 8.74827705 _cell_length_c 8.74827783 _cell_angle_alpha 59.98753261 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_TbGa2Co3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74745294 _cell_length_b 8.74745294 _cell_length_c 4.05095800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
734
14,652
mp-1209832
-1.463977
0
Nd3Cu4(P2O)2
0
['Cu', 'Nd', 'O', 'P']
# generated using pymatgen data_Nd3Cu4(P2O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.56748487 _cell_length_b 13.56748487 _cell_length_c 13.56748501 _cell_angle_alpha 163.08576481 _cell_angle_beta 163.08576054 _cell_angle_gamma 24.00884492 _symmetry_Int_Tables_number 1 _chemical_formula_st...
139
139
# generated using pymatgen data_Nd3Cu4(P2O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99071750 _cell_length_b 3.99071750 _cell_length_c 26.54157001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
735
16,707
mp-1224642
-0.421821
0
HfAlFe
0
['Al', 'Fe', 'Hf']
# generated using pymatgen data_HfAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04695649 _cell_length_b 5.04447146 _cell_length_c 8.23680500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 60.48622065 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_HfAlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08275097 _cell_length_b 8.71794510 _cell_length_c 8.23680500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
736
4,649
mp-1208995
-2.928868
3.6697
ScTl3F6
0
['F', 'Sc', 'Tl']
# generated using pymatgen data_ScTl3F6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54360000 _cell_length_b 6.54360000 _cell_length_c 9.45204900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
128
128
# generated using pymatgen data_ScTl3F6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54360000 _cell_length_b 6.54360000 _cell_length_c 9.45204900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
737
16,799
mp-22876
-1.116663
2.0157
CsI3
0
['Cs', 'I']
# generated using pymatgen data_CsI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22657800 _cell_length_b 10.46590500 _cell_length_c 11.31801100 _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_CsI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22657800 _cell_length_b 10.46590500 _cell_length_c 11.31801100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
738
33,475
mp-976765
-0.183987
0
Na3Au
0.028338
['Na', 'Au']
# generated using pymatgen data_Na3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26682618 _cell_length_b 5.26682618 _cell_length_c 5.26682666 _cell_angle_alpha 122.02590988 _cell_angle_beta 122.02589744 _cell_angle_gamma 86.52544116 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Na3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10473350 _cell_length_b 5.10473350 _cell_length_c 7.67080400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
739
7,731
mp-1597
-3.750444
0
UO2
0
['U', 'O']
# generated using pymatgen data_UO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83276341 _cell_length_b 3.83276341 _cell_length_c 3.83276341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UO2...
225
225
# generated using pymatgen data_UO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42034600 _cell_length_b 5.42034600 _cell_length_c 5.42034600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UO2...
740
41,434
mp-761819
-1.938761
1.2894
Li4VFe(TeO6)2
0.060471
['Fe', 'Li', 'O', 'Te', 'V']
# generated using pymatgen data_Li4VFe(TeO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12576100 _cell_length_b 5.38059282 _cell_length_c 7.46809637 _cell_angle_alpha 93.73764471 _cell_angle_beta 90.07349081 _cell_angle_gamma 90.29187938 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1
1
# generated using pymatgen data_Li4VFe(TeO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12576100 _cell_length_b 5.38059282 _cell_length_c 7.46809637 _cell_angle_alpha 93.73764471 _cell_angle_beta 90.07349081 _cell_angle_gamma 90.29187938 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
741
39,834
mp-30705
-0.448277
0
Ti4Ga3Ni2
0.052174
['Ga', 'Ni', 'Ti']
# generated using pymatgen data_Ti4Ga3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32527951 _cell_length_b 7.32527951 _cell_length_c 2.82085100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999554 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
189
189
# generated using pymatgen data_Ti4Ga3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32527951 _cell_length_b 7.32527951 _cell_length_c 2.82085100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
742
14,314
mp-2724
-1.236714
0
TbSb
0
['Tb', 'Sb']
# generated using pymatgen data_TbSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40469542 _cell_length_b 4.40469542 _cell_length_c 4.40469542 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb...
225
225
# generated using pymatgen data_TbSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22918000 _cell_length_b 6.22918000 _cell_length_c 6.22918000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb...
743
12,271
mp-2396
-0.223408
0
HoCo2
0
['Ho', 'Co']
# generated using pymatgen data_HoCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06482768 _cell_length_b 5.06482768 _cell_length_c 5.06482768 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
227
227
# generated using pymatgen data_HoCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16274800 _cell_length_b 7.16274800 _cell_length_c 7.16274800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
744
27,235
mp-1224401
-0.30259
0
HfTiFe4
0.011943
['Fe', 'Hf', 'Ti']
# generated using pymatgen data_HfTiFe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87824243 _cell_length_b 4.87824243 _cell_length_c 7.90673900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000590 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_HfTiFe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87824243 _cell_length_b 4.87824243 _cell_length_c 7.90673900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
745
12,071
mp-1103738
-2.134508
0
Eu3S4
0
['Eu', 'S']
# generated using pymatgen data_Eu3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44643456 _cell_length_b 7.44643456 _cell_length_c 7.44643456 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
220
220
# generated using pymatgen data_Eu3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59840200 _cell_length_b 8.59840200 _cell_length_c 8.59840200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural E...
746
493
mp-12075
-0.432006
0
Tb(FeB)2
0
['Tb', 'Fe', 'B']
# generated using pymatgen data_Tb(FeB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36619252 _cell_length_b 5.36619252 _cell_length_c 5.36619252 _cell_angle_alpha 140.48403025 _cell_angle_beta 140.48403025 _cell_angle_gamma 57.11910004 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Tb(FeB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62806000 _cell_length_b 3.62806000 _cell_length_c 9.42647601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
747
41,086
mp-1112111
-1.218292
1.8482
Cs2AlTlI6
0.059483
['Al', 'Cs', 'I', 'Tl']
# generated using pymatgen data_Cs2AlTlI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71881470 _cell_length_b 8.71881470 _cell_length_c 8.71881470 _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_Cs2AlTlI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.33026600 _cell_length_b 12.33026600 _cell_length_c 12.33026600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
748
21,235
mp-1226118
-1.808922
0.5579
Cs4BiSbCl12
0.001215
['Bi', 'Cl', 'Cs', 'Sb']
# generated using pymatgen data_Cs4BiSbCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76597500 _cell_length_b 7.76597500 _cell_length_c 10.72351800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
123
123
# generated using pymatgen data_Cs4BiSbCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76597500 _cell_length_b 7.76597500 _cell_length_c 10.72351800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
749
43,392
mp-756207
-1.83909
1.6204
LiCoGeO4
0.070329
['Co', 'Ge', 'Li', 'O']
# generated using pymatgen data_LiCoGeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71607900 _cell_length_b 5.11817600 _cell_length_c 8.05469800 _cell_angle_alpha 50.62464401 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
7
7
# generated using pymatgen data_LiCoGeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11817600 _cell_length_b 5.71607900 _cell_length_c 8.05469800 _cell_angle_alpha 90.00000000 _cell_angle_beta 129.37535599 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
750
18,532
mp-1078299
-0.438496
0
Fe(BMo)2
0
['B', 'Fe', 'Mo']
# generated using pymatgen data_Fe(BMo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77591900 _cell_length_b 5.77591900 _cell_length_c 3.16644300 _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_Fe(BMo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77591900 _cell_length_b 5.77591900 _cell_length_c 3.16644300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
751
11,466
mp-8965
-1.033663
1.8223
K2Sn2S5
0
['K', 'S', 'Sn']
# generated using pymatgen data_K2Sn2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90994473 _cell_length_b 6.90994473 _cell_length_c 11.71380242 _cell_angle_alpha 75.31963090 _cell_angle_beta 75.31963090 _cell_angle_gamma 70.79874094 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_K2Sn2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26506399 _cell_length_b 8.00547800 _cell_length_c 11.71380242 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.11357393 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
752
7,697
mp-1224848
-0.676772
1.2685
GaAgSnSe4
0
['Ag', 'Ga', 'Se', 'Sn']
# generated using pymatgen data_GaAgSnSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95057424 _cell_length_b 6.95057424 _cell_length_c 6.95057424 _cell_angle_alpha 128.50867637 _cell_angle_beta 128.50867637 _cell_angle_gamma 75.80242931 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
82
82
# generated using pymatgen data_GaAgSnSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03834000 _cell_length_b 6.03834000 _cell_length_c 10.96899399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
753
29,797
mp-1226229
-0.142672
0
CrIr
0.017702
['Cr', 'Ir']
# generated using pymatgen data_CrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68533137 _cell_length_b 2.68533137 _cell_length_c 4.22304600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998443 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
187
187
# generated using pymatgen data_CrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68533137 _cell_length_b 2.68533137 _cell_length_c 4.22304600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
754
32,809
mp-1522152
-3.169363
0.4308
BaEuHfSnO6
0.026759
['Ba', 'Eu', 'Hf', 'O', 'Sn']
# generated using pymatgen data_BaEuHfSnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87632840 _cell_length_b 5.87632840 _cell_length_c 5.87632840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
216
216
# generated using pymatgen data_BaEuHfSnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31038332 _cell_length_b 8.31038332 _cell_length_c 8.31038332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
755
26,466
mp-974638
-0.324656
0
NdErZn2
0.009818
['Nd', 'Er', 'Zn']
# generated using pymatgen data_NdErZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12243991 _cell_length_b 5.12243991 _cell_length_c 5.12243991 _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_NdErZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24422399 _cell_length_b 7.24422399 _cell_length_c 7.24422399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
756
22,752
mp-1228338
-2.202572
0
Ba4Bi3PbO12
0.003386
['Ba', 'Bi', 'O', 'Pb']
# generated using pymatgen data_Ba4Bi3PbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22439074 _cell_length_b 6.22439074 _cell_length_c 10.77368907 _cell_angle_alpha 73.57787784 _cell_angle_beta 73.57787784 _cell_angle_gamma 60.02843757 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
12
12
# generated using pymatgen data_Ba4Bi3PbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.77941600 _cell_length_b 6.22706600 _cell_length_c 10.77368907 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.05613089 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
757
35,230
mp-1222100
-1.200225
1.858
Mg4Te3S
0.034125
['Mg', 'S', 'Te']
# generated using pymatgen data_Mg4Te3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45919780 _cell_length_b 6.25225800 _cell_length_c 8.98384115 _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_Mg4Te3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45919780 _cell_length_b 6.25225800 _cell_length_c 8.98384115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
758
9,263
mp-22408
-1.284381
0.8425
CoO
0
['Co', 'O']
# generated using pymatgen data_CoO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59788059 _cell_length_b 4.59790365 _cell_length_c 5.62464534 _cell_angle_alpha 113.98280965 _cell_angle_beta 66.01816390 _cell_angle_gamma 89.87342398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co...
216
216
# generated using pymatgen data_CoO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59861356 _cell_length_b 4.59861356 _cell_length_c 4.59861356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoO...
759
6,665
mp-1209267
-3.07652
0
Rb2VF6
0
['F', 'Rb', 'V']
# generated using pymatgen data_Rb2VF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13674217 _cell_length_b 6.13674217 _cell_length_c 6.13674217 _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_Rb2VF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67866401 _cell_length_b 8.67866401 _cell_length_c 8.67866401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
760
8,650
mp-1206116
-0.505441
0
YFe2SiC
0
['C', 'Fe', 'Si', 'Y']
# generated using pymatgen data_YFe2SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53863903 _cell_length_b 5.53863903 _cell_length_c 6.74288600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 140.39426214 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_YFe2SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75281600 _cell_length_b 10.42221000 _cell_length_c 6.74288600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
761
16,344
mp-5394
-3.4207
1.4881
LaSF
0
['La', 'S', 'F']
# generated using pymatgen data_LaSF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05265000 _cell_length_b 4.05265000 _cell_length_c 7.02270100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La...
129
129
# generated using pymatgen data_LaSF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05265000 _cell_length_b 4.05265000 _cell_length_c 7.02270100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La...
762
41,814
mp-2630
0.027774
1.7674
SrC2
0.061643
['Sr', 'C']
# generated using pymatgen data_SrC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48756728 _cell_length_b 4.48756728 _cell_length_c 4.48756728 _cell_angle_alpha 125.21051219 _cell_angle_beta 125.21051219 _cell_angle_gamma 81.18964356 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_SrC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12962400 _cell_length_b 4.12962400 _cell_length_c 6.81509000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr...
763
43,151
mp-1213089
-2.684556
4.8426
CsSb4F13
0.070874
['Cs', 'F', 'Sb']
# generated using pymatgen data_CsSb4F13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93045594 _cell_length_b 7.93045594 _cell_length_c 7.93045594 _cell_angle_alpha 101.25314016 _cell_angle_beta 101.25314016 _cell_angle_gamma 127.56867079 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
87
87
# generated using pymatgen data_CsSb4F13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06171999 _cell_length_b 10.06171999 _cell_length_c 7.00657600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
764
8,607
mp-11185
-0.870735
0
Sm3Sb4Pt7
0
['Pt', 'Sb', 'Sm']
# generated using pymatgen data_Sm3Sb4Pt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61516620 _cell_length_b 8.61516620 _cell_length_c 10.55650015 _cell_angle_alpha 52.43217909 _cell_angle_beta 52.43217909 _cell_angle_gamma 28.93457611 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Sm3Sb4Pt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.68396601 _cell_length_b 4.30460600 _cell_length_c 10.55650015 _cell_angle_alpha 90.00000000 _cell_angle_beta 129.02552528 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
765
30,042
mp-1103281
-0.38429
1.7027
NClO
0.019134
['Cl', 'N', 'O']
# generated using pymatgen data_NClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10088300 _cell_length_b 6.33895100 _cell_length_c 7.64781194 _cell_angle_alpha 57.50740236 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NC...
14
14
# generated using pymatgen data_NClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33895100 _cell_length_b 6.10088300 _cell_length_c 7.64781194 _cell_angle_alpha 90.00000000 _cell_angle_beta 122.49259764 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
766
40,875
mp-752843
-2.528767
0
Li2CuF4
0.057318
['Li', 'Cu', 'F']
# generated using pymatgen data_Li2CuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04966430 _cell_length_b 5.04966430 _cell_length_c 3.12649500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.10462447 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_Li2CuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99989600 _cell_length_b 8.12389600 _cell_length_c 3.12649500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
767
4,132
mp-1189967
-0.075751
0
Pr3Os
0
['Os', 'Pr']
# generated using pymatgen data_Pr3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59266100 _cell_length_b 7.53477100 _cell_length_c 9.76169500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
62
62
# generated using pymatgen data_Pr3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59266100 _cell_length_b 7.53477100 _cell_length_c 9.76169500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
768
23,724
mp-1224000
-0.491128
0.9116
InGaCuAgTe4
0.005341
['Ag', 'Cu', 'Ga', 'In', 'Te']
# generated using pymatgen data_InGaCuAgTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35710300 _cell_length_b 6.35710300 _cell_length_c 7.68317388 _cell_angle_alpha 65.56233596 _cell_angle_beta 65.56233596 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
82
82
# generated using pymatgen data_InGaCuAgTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35710300 _cell_length_b 6.35710300 _cell_length_c 12.46190599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
769
40,622
mp-1183989
-0.098435
0
CsPb3
0.057197
['Cs', 'Pb']
# generated using pymatgen data_CsPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27542364 _cell_length_b 8.27542364 _cell_length_c 5.75883100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999715 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_CsPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27542364 _cell_length_b 8.27542364 _cell_length_c 5.75883100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
770
585
mp-20758
-2.135996
2.7793
Cr2CoO4
0
['Co', 'Cr', 'O']
# generated using pymatgen data_Cr2CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98829558 _cell_length_b 5.98830300 _cell_length_c 5.98829097 _cell_angle_alpha 89.99998491 _cell_angle_beta 119.99997543 _cell_angle_gamma 59.99995031 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
227
227
# generated using pymatgen data_Cr2CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46872871 _cell_length_b 8.46872871 _cell_length_c 8.46872871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
771
4,054
mp-1095666
-0.284104
0
TbOs2
0
['Os', 'Tb']
# generated using pymatgen data_TbOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33938024 _cell_length_b 5.33938024 _cell_length_c 8.85238300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000300 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_TbOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33938024 _cell_length_b 5.33938024 _cell_length_c 8.85238300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
772
5,914
mp-760513
-3.892252
1.7901
La2UO6
0
['La', 'O', 'U']
# generated using pymatgen data_La2UO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70511216 _cell_length_b 6.70511216 _cell_length_c 6.70511216 _cell_angle_alpha 145.50365989 _cell_angle_beta 130.65440744 _cell_angle_gamma 61.59784547 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
71
71
# generated using pymatgen data_La2UO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97628000 _cell_length_b 5.59790600 _cell_length_c 11.51897400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
773
18,084
mp-1112527
-1.83984
1.9339
Cs2NaTlCl6
0
['Cl', 'Cs', 'Na', 'Tl']
# generated using pymatgen data_Cs2NaTlCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69356361 _cell_length_b 7.69356361 _cell_length_c 7.69356361 _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_Cs2NaTlCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.88034200 _cell_length_b 10.88034200 _cell_length_c 10.88034200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
774
5,799
mp-27814
-0.40681
2.6958
CS14
0
['C', 'S']
# generated using pymatgen data_CS14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96415884 _cell_length_b 7.96415884 _cell_length_c 7.96415870 _cell_angle_alpha 93.43348624 _cell_angle_beta 93.43348624 _cell_angle_gamma 93.43349245 _symmetry_Int_Tables_number 1 _chemical_formula_structural CS...
166
166
# generated using pymatgen data_CS14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.59538765 _cell_length_b 11.59538765 _cell_length_c 12.94184651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
775
21,097
mp-1185836
-0.160212
0
MgAg3
0.001624
['Ag', 'Mg']
# generated using pymatgen data_MgAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17042613 _cell_length_b 5.17042613 _cell_length_c 5.17042613 _cell_angle_alpha 133.18787282 _cell_angle_beta 133.18787282 _cell_angle_gamma 68.35925872 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_MgAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10785200 _cell_length_b 4.10785200 _cell_length_c 8.55478400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
776
9,876
mp-569352
-0.319352
0
NdTl3
0
['Nd', 'Tl']
# generated using pymatgen data_NdTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84210100 _cell_length_b 4.84210100 _cell_length_c 4.84210100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
221
221
# generated using pymatgen data_NdTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84210100 _cell_length_b 4.84210100 _cell_length_c 4.84210100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
777
24,681
mp-1216803
-0.23629
0
U2Cu3NiGe4
0.007221
['Cu', 'Ge', 'Ni', 'U']
# generated using pymatgen data_U2Cu3NiGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05362500 _cell_length_b 4.05362500 _cell_length_c 10.26771200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
115
115
# generated using pymatgen data_U2Cu3NiGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05362500 _cell_length_b 4.05362500 _cell_length_c 10.26771200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
778
21,695
mp-1217471
-4.183656
2.6289
TbPaO4
0.001828
['O', 'Pa', 'Tb']
# generated using pymatgen data_TbPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81624200 _cell_length_b 3.81624200 _cell_length_c 5.41575500 _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_TbPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81624200 _cell_length_b 3.81624200 _cell_length_c 5.41575500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
779
40,606
mp-1174492
-2.118315
0
Li5Mn3O8
0.056737
['Li', 'Mn', 'O']
# generated using pymatgen data_Li5Mn3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86376912 _cell_length_b 5.86376912 _cell_length_c 5.86376891 _cell_angle_alpha 59.87198566 _cell_angle_beta 59.87198566 _cell_angle_gamma 59.87199196 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Li5Mn3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85241967 _cell_length_b 5.85241967 _cell_length_c 14.37712221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
780
5,096
mp-1114663
-2.209569
3.4899
Rb2ScTlCl6
0
['Cl', 'Rb', 'Sc', 'Tl']
# generated using pymatgen data_Rb2ScTlCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86384906 _cell_length_b 7.86384906 _cell_length_c 7.86384906 _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_Rb2ScTlCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.12116199 _cell_length_b 11.12116199 _cell_length_c 11.12116199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
781
9,890
mp-6066
-2.731205
3.3624
NaTaGeO5
0
['Ge', 'Na', 'O', 'Ta']
# generated using pymatgen data_NaTaGeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70294193 _cell_length_b 5.70294193 _cell_length_c 7.51781803 _cell_angle_alpha 74.72168183 _cell_angle_beta 74.72168183 _cell_angle_gamma 104.05273861 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
15
15
# generated using pymatgen data_NaTaGeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01802600 _cell_length_b 8.99119000 _cell_length_c 7.51781803 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.35720494 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
782
33,279
mp-1295063
-2.28736
2.3451
MnZnPO5
0.028604
['Mn', 'O', 'P', 'Zn']
# generated using pymatgen data_MnZnPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55340480 _cell_length_b 6.98104989 _cell_length_c 8.29658276 _cell_angle_alpha 89.99807947 _cell_angle_beta 41.69475634 _cell_angle_gamma 72.20489370 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_MnZnPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38782858 _cell_length_b 8.29658276 _cell_length_c 6.98104989 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.34970495 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
783
29,280
mp-1232216
-1.919065
0
PmSe2
0.016642
['Pm', 'Se']
# generated using pymatgen data_PmSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14415300 _cell_length_b 4.14415300 _cell_length_c 8.54948900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
129
129
# generated using pymatgen data_PmSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14415300 _cell_length_b 4.14415300 _cell_length_c 8.54948900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
784
6,421
mp-862711
-0.373958
0
Sc2CdIn
0
['Sc', 'Cd', 'In']
# generated using pymatgen data_Sc2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02895191 _cell_length_b 5.02895191 _cell_length_c 5.02895191 _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_Sc2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11201200 _cell_length_b 7.11201200 _cell_length_c 7.11201200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
785
13,077
mp-1104548
-0.251496
0
Ta7Co6
0
['Co', 'Ta']
# generated using pymatgen data_Ta7Co6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95215832 _cell_length_b 4.95215832 _cell_length_c 9.18149202 _cell_angle_alpha 74.35468016 _cell_angle_beta 74.35468016 _cell_angle_gamma 59.99999574 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Ta7Co6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95215816 _cell_length_b 4.95215816 _cell_length_c 26.17492201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
786
7,608
mp-1186469
-0.612223
0
PrPbAu2
0
['Au', 'Pb', 'Pr']
# generated using pymatgen data_PrPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17308007 _cell_length_b 5.17308007 _cell_length_c 5.17308007 _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_PrPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31583999 _cell_length_b 7.31583999 _cell_length_c 7.31583999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
787
36,237
mp-1223498
-3.386757
2.304
KLaTa2O7
0.038171
['K', 'La', 'O', 'Ta']
# generated using pymatgen data_KLaTa2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.33815099 _cell_length_b 11.33815099 _cell_length_c 3.90947100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.08147262 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
38
38
# generated using pymatgen data_KLaTa2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92182000 _cell_length_b 22.33459199 _cell_length_c 3.90947100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
788
18,192
mp-1219044
-0.273439
0
SmMg3Ni8
0
['Mg', 'Ni', 'Sm']
# generated using pymatgen data_SmMg3Ni8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91253244 _cell_length_b 4.91253244 _cell_length_c 8.48400901 _cell_angle_alpha 73.17094852 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
160
160
# generated using pymatgen data_SmMg3Ni8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91253244 _cell_length_b 4.91253244 _cell_length_c 23.98763755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
789
24,626
mp-1188713
-2.559092
0
BaMg(CO3)2
0.007173
['Ba', 'C', 'Mg', 'O']
# generated using pymatgen data_BaMg(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06448500 _cell_length_b 5.07723617 _cell_length_c 11.78840450 _cell_angle_alpha 102.09160934 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.91696351 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
15
15
# generated using pymatgen data_BaMg(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80138001 _cell_length_b 5.06448500 _cell_length_c 11.78840450 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.98567849 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
790
22,073
mp-11713
-0.201711
1.9728
SiC
0.00301
['C', 'Si']
# generated using pymatgen data_SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78008947 _cell_length_b 12.78008947 _cell_length_c 12.78008945 _cell_angle_alpha 13.90859424 _cell_angle_beta 13.90859424 _cell_angle_gamma 13.90859094 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
160
160
# generated using pymatgen data_SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09476436 _cell_length_b 3.09476436 _cell_length_c 37.96371266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
791
20,182
mp-1225724
-1.068036
1.4382
Dy(CuS)3
0
['Cu', 'Dy', 'S']
# generated using pymatgen data_Dy(CuS)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42979941 _cell_length_b 7.42979941 _cell_length_c 7.42979949 _cell_angle_alpha 53.40710426 _cell_angle_beta 53.40710426 _cell_angle_gamma 53.40711237 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_Dy(CuS)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67752355 _cell_length_b 6.67752355 _cell_length_c 19.05385318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
792
32,315
mp-1716
-1.071421
0.5693
Rh2O3
0.025638
['Rh', 'O']
# generated using pymatgen data_Rh2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26003000 _cell_length_b 5.45300100 _cell_length_c 7.37585000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
60
60
# generated using pymatgen data_Rh2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26003000 _cell_length_b 5.45300100 _cell_length_c 7.37585000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
793
24,041
mp-1095057
-0.165672
0
VCo3
0.006813
['Co', 'V']
# generated using pymatgen data_VCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99173671 _cell_length_b 4.99173671 _cell_length_c 4.00930700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000935 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
194
194
# generated using pymatgen data_VCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99173671 _cell_length_b 4.99173671 _cell_length_c 4.00930700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
794
32,399
mp-643273
-0.178553
0
NaH2Pd3
0.024299
['Na', 'H', 'Pd']
# generated using pymatgen data_NaH2Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19655278 _cell_length_b 5.19655278 _cell_length_c 2.85020200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.29636284 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_NaH2Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71390600 _cell_length_b 8.68147000 _cell_length_c 2.85020200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
795
20,658
mp-1217539
-3.478623
3.4486
TbGd(PO4)2
0.000742
['Gd', 'O', 'P', 'Tb']
# generated using pymatgen data_TbGd(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82996324 _cell_length_b 5.82996324 _cell_length_c 5.82996324 _cell_angle_alpha 105.97685019 _cell_angle_beta 105.97685019 _cell_angle_gamma 116.71174436 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
119
119
# generated using pymatgen data_TbGd(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01900000 _cell_length_b 7.01900000 _cell_length_c 6.11728400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
796
17,734
mp-1520523
-3.0783
3.5885
BaSrTbSbO6
0
['Ba', 'O', 'Sb', 'Sr', 'Tb']
# generated using pymatgen data_BaSrTbSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97640740 _cell_length_b 5.97650075 _cell_length_c 8.44359797 _cell_angle_alpha 90.22490450 _cell_angle_beta 89.80109724 _cell_angle_gamma 89.79608776 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2
2
# generated using pymatgen data_BaSrTbSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97650075 _cell_length_b 5.97640740 _cell_length_c 8.44359797 _cell_angle_alpha 90.19890276 _cell_angle_beta 90.22490450 _cell_angle_gamma 90.20391224 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
797
6,437
mp-865220
-0.339145
0
Dy2CuRu
0
['Cu', 'Dy', 'Ru']
# generated using pymatgen data_Dy2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85689021 _cell_length_b 4.85689021 _cell_length_c 4.85689021 _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_Dy2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86868001 _cell_length_b 6.86868001 _cell_length_c 6.86868001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
798
15,721
mp-13025
-0.740576
0
YbZnPd
0
['Pd', 'Yb', 'Zn']
# generated using pymatgen data_YbZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37309300 _cell_length_b 6.98836400 _cell_length_c 7.77784100 _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_YbZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37309300 _cell_length_b 6.98836400 _cell_length_c 7.77784100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
799
6,365
mp-571275
-1.098119
0
Cs2UHg2Se5
0
['Cs', 'Hg', 'Se', 'U']
# generated using pymatgen data_Cs2UHg2Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37681400 _cell_length_b 10.45064700 _cell_length_c 16.92049871 _cell_angle_alpha 65.43373524 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
13
13
# generated using pymatgen data_Cs2UHg2Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.45064700 _cell_length_b 4.37681400 _cell_length_c 16.92049871 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.56626476 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...