Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
-5.15
0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
0
0.08
elements
stringlengths
5
40
cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
1
229
cif.conv
stringlengths
696
5.07k
25,900
43,033
mp-1094229
0.021733
0
MgSn5
0.068517
['Mg', 'Sn']
# generated using pymatgen data_MgSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28715441 _cell_length_b 6.28715441 _cell_length_c 6.28715450 _cell_angle_alpha 56.33110706 _cell_angle_beta 56.33110706 _cell_angle_gamma 56.33110950 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
155
155
# generated using pymatgen data_MgSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93533590 _cell_length_b 5.93533590 _cell_length_c 15.81360689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,901
19,716
mp-15669
-0.959549
0
Ti3Te4
0
['Ti', 'Te']
# generated using pymatgen data_Ti3Te4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45433552 _cell_length_b 7.45433552 _cell_length_c 7.08072973 _cell_angle_alpha 61.96240510 _cell_angle_beta 61.96240510 _cell_angle_gamma 29.64359380 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ti3Te4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.41260201 _cell_length_b 3.81384000 _cell_length_c 7.08072973 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.09306035 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,902
20,995
mvc-15849
-3.463175
0
CaVF6
0.000614
['Ca', 'F', 'V']
# generated using pymatgen data_CaVF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79080993 _cell_length_b 5.79080993 _cell_length_c 5.79081035 _cell_angle_alpha 57.94224536 _cell_angle_beta 57.94224536 _cell_angle_gamma 57.94223746 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
148
148
# generated using pymatgen data_CaVF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60977445 _cell_length_b 5.60977445 _cell_length_c 14.40113253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,903
32,834
mp-21903
-1.365281
0
KEuGeS4
0.026373
['Eu', 'Ge', 'K', 'S']
# generated using pymatgen data_KEuGeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67436600 _cell_length_b 6.77724200 _cell_length_c 8.90593393 _cell_angle_alpha 72.27449403 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_KEuGeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77724200 _cell_length_b 6.67436600 _cell_length_c 8.90593393 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.72550597 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,904
13,820
mp-505365
-2.766258
0.2471
Mg3Nb6O11
0
['Mg', 'Nb', 'O']
# generated using pymatgen data_Mg3Nb6O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11632403 _cell_length_b 6.11632403 _cell_length_c 7.55661900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000036 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Mg3Nb6O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11632403 _cell_length_b 6.11632403 _cell_length_c 7.55661900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,905
5,004
mp-10115
-0.701012
0
ThB2Ir3
0
['Th', 'B', 'Ir']
# generated using pymatgen data_ThB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49042343 _cell_length_b 5.49042343 _cell_length_c 3.24774100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999310 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_ThB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49042343 _cell_length_b 5.49042343 _cell_length_c 3.24774100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,906
37,061
mp-1104762
-0.680958
0
CeSbPt5
0.041814
['Ce', 'Pt', 'Sb']
# generated using pymatgen data_CeSbPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38833274 _cell_length_b 5.38833274 _cell_length_c 10.93284806 _cell_angle_alpha 75.59521221 _cell_angle_beta 75.59521221 _cell_angle_gamma 60.25488007 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_CeSbPt5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32085801 _cell_length_b 5.40907800 _cell_length_c 10.93284806 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.71587394 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,907
41,555
mp-1105008
-0.937637
0
Tm(Mo3Se4)2
0.062822
['Mo', 'Se', 'Tm']
# generated using pymatgen data_Tm(Mo3Se4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76071261 _cell_length_b 6.76071261 _cell_length_c 6.76071237 _cell_angle_alpha 89.38552245 _cell_angle_beta 89.38552245 _cell_angle_gamma 89.38551604 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
148
148
# generated using pymatgen data_Tm(Mo3Se4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50968418 _cell_length_b 9.50968418 _cell_length_c 11.83481398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,908
21,622
mp-1186595
-0.205502
0
PmHoCu2
0.002357
['Cu', 'Ho', 'Pm']
# generated using pymatgen data_PmHoCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95851276 _cell_length_b 4.95851276 _cell_length_c 4.95851276 _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_PmHoCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01239599 _cell_length_b 7.01239599 _cell_length_c 7.01239599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,909
29,987
mp-995192
-2.694057
3.9078
RbBaSiHO4
0.017913
['Ba', 'H', 'O', 'Rb', 'Si']
# generated using pymatgen data_RbBaSiHO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24781700 _cell_length_b 5.98007200 _cell_length_c 6.05275692 _cell_angle_alpha 61.90531626 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
4
4
# generated using pymatgen data_RbBaSiHO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98007200 _cell_length_b 8.24781700 _cell_length_c 6.05275692 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.09468374 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,910
14,371
mp-558258
-2.393331
0.0114
Eu2I2O
0
['Eu', 'I', 'O']
# generated using pymatgen data_Eu2I2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13365084 _cell_length_b 8.13365084 _cell_length_c 8.13365084 _cell_angle_alpha 133.36591345 _cell_angle_beta 125.29835474 _cell_angle_gamma 74.66338955 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
72
72
# generated using pymatgen data_Eu2I2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43890200 _cell_length_b 7.47381000 _cell_length_c 12.93475199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,911
35,786
mp-1251148
-3.834219
7.4507
AlF3
0.036151
['Al', 'F']
# generated using pymatgen data_AlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46442348 _cell_length_b 3.63785442 _cell_length_c 5.90074896 _cell_angle_alpha 90.61115663 _cell_angle_beta 149.76315030 _cell_angle_gamma 88.85936181 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
10
10
# generated using pymatgen data_AlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28163536 _cell_length_b 3.63785442 _cell_length_c 5.90074896 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.52701617 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
25,912
17,705
mp-1222144
-0.498274
0
Mg2AgPd
0
['Ag', 'Mg', 'Pd']
# generated using pymatgen data_Mg2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26851300 _cell_length_b 3.26851300 _cell_length_c 6.53561400 _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_Mg2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26851300 _cell_length_b 3.26851300 _cell_length_c 6.53561400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,913
13,200
mp-1223554
-3.20919
5.4566
KAlNiF6
0
['Al', 'F', 'K', 'Ni']
# generated using pymatgen data_KAlNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12141758 _cell_length_b 7.12141758 _cell_length_c 7.12141758 _cell_angle_alpha 120.28232950 _cell_angle_beta 119.82624883 _cell_angle_gamma 89.90644866 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
74
74
# generated using pymatgen data_KAlNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09100600 _cell_length_b 7.14011200 _cell_length_c 10.07942399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,914
15,131
mp-1205905
-0.798528
0
Dy2Ge2Ru
0
['Dy', 'Ge', 'Ru']
# generated using pymatgen data_Dy2Ge2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81093238 _cell_length_b 5.81093238 _cell_length_c 10.19697479 _cell_angle_alpha 63.85819313 _cell_angle_beta 63.85819313 _cell_angle_gamma 43.52859569 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Dy2Ge2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.79342399 _cell_length_b 4.30926200 _cell_length_c 10.19697479 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.32105826 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,915
38,014
mp-1071876
-0.513089
0
CaAgBi
0.045637
['Ag', 'Bi', 'Ca']
# generated using pymatgen data_CaAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91725410 _cell_length_b 4.91725410 _cell_length_c 8.05803400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000139 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_CaAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91725410 _cell_length_b 4.91725410 _cell_length_c 8.05803400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,916
10,600
mp-1187263
-0.623081
0
Tb2PdRu
0
['Pd', 'Ru', 'Tb']
# generated using pymatgen data_Tb2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90417444 _cell_length_b 4.90417444 _cell_length_c 4.90417444 _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_Tb2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93555001 _cell_length_b 6.93555001 _cell_length_c 6.93555001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,917
43,315
mp-535
-0.056598
0
Fe4N
0.069986
['Fe', 'N']
# generated using pymatgen data_Fe4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67367300 _cell_length_b 3.67367300 _cell_length_c 3.67367300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe...
221
221
# generated using pymatgen data_Fe4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67367300 _cell_length_b 3.67367300 _cell_length_c 3.67367300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe...
25,918
10,001
mp-1009084
-0.17523
0.7035
BeSnAs2
0
['As', 'Be', 'Sn']
# generated using pymatgen data_BeSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94635010 _cell_length_b 6.94635010 _cell_length_c 6.94635010 _cell_angle_alpha 131.95382418 _cell_angle_beta 131.95382418 _cell_angle_gamma 70.30196635 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
122
122
# generated using pymatgen data_BeSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65578400 _cell_length_b 5.65578400 _cell_length_c 11.35919599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,919
9,015
mp-1031
-0.345093
0
GdCd
0
['Gd', 'Cd']
# generated using pymatgen data_GdCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77216900 _cell_length_b 3.77216900 _cell_length_c 3.77216900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
221
221
# generated using pymatgen data_GdCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77216900 _cell_length_b 3.77216900 _cell_length_c 3.77216900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
25,920
129
mp-865386
-0.548508
0
GdGa3
0
['Ga', 'Gd']
# generated using pymatgen data_GdGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31733647 _cell_length_b 6.31733647 _cell_length_c 4.59281000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000490 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_GdGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31733647 _cell_length_b 6.31733647 _cell_length_c 4.59281000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,921
3,418
mp-753721
-4.195434
3.3747
GdOF
0
['Gd', 'O', 'F']
# generated using pymatgen data_GdOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85310954 _cell_length_b 6.85310954 _cell_length_c 6.85310949 _cell_angle_alpha 32.93704025 _cell_angle_beta 32.93704025 _cell_angle_gamma 32.93704474 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
166
166
# generated using pymatgen data_GdOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88555574 _cell_length_b 3.88555574 _cell_length_c 19.42661481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,922
31,999
mp-1003486
-2.617386
0
CaMnO2
0.025223
['Ca', 'Mn', 'O']
# generated using pymatgen data_CaMnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60223339 _cell_length_b 6.60223339 _cell_length_c 6.60223339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
227
227
# generated using pymatgen data_CaMnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33696800 _cell_length_b 9.33696800 _cell_length_c 9.33696800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,923
24,816
mp-2127
-1.686406
0
Pr3Te4
0.007293
['Pr', 'Te']
# generated using pymatgen data_Pr3Te4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31557593 _cell_length_b 8.31557593 _cell_length_c 8.31557593 _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_Pr3Te4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60200000 _cell_length_b 9.60200000 _cell_length_c 9.60200000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,924
43,462
mp-862773
-0.288185
0.8206
TeI2
0.068623
['I', 'Te']
# generated using pymatgen data_TeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86229300 _cell_length_b 8.86229300 _cell_length_c 4.17631400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te...
136
136
# generated using pymatgen data_TeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86229300 _cell_length_b 8.86229300 _cell_length_c 4.17631400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te...
25,925
13,636
mp-1206686
-0.675362
0.286
TbNiBi
0
['Bi', 'Ni', 'Tb']
# generated using pymatgen data_TbNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59031943 _cell_length_b 4.59031943 _cell_length_c 4.59031943 _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_TbNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49169199 _cell_length_b 6.49169199 _cell_length_c 6.49169199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,926
5,766
mp-22012
-0.302284
0
Tb(MnGe)6
0
['Ge', 'Mn', 'Tb']
# generated using pymatgen data_Tb(MnGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07863200 _cell_length_b 5.07863258 _cell_length_c 8.15977500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999621 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
191
191
# generated using pymatgen data_Tb(MnGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07863229 _cell_length_b 5.07863229 _cell_length_c 8.15977500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,927
7,345
mp-4840
-0.713863
0.4581
GaCuSe2
0
['Ga', 'Cu', 'Se']
# generated using pymatgen data_GaCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90834910 _cell_length_b 6.90834910 _cell_length_c 6.90834910 _cell_angle_alpha 131.56352483 _cell_angle_beta 131.56352483 _cell_angle_gamma 70.91927172 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
122
122
# generated using pymatgen data_GaCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66779400 _cell_length_b 5.66779400 _cell_length_c 11.25403801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,928
30,302
mp-18800
-2.507167
2.0376
Cr2SiO4
0.019999
['Cr', 'O', 'Si']
# generated using pymatgen data_Cr2SiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75563004 _cell_length_b 5.71184292 _cell_length_c 6.38524601 _cell_angle_alpha 76.87411666 _cell_angle_beta 116.78975054 _cell_angle_gamma 120.25464442 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
70
70
# generated using pymatgen data_Cr2SiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75563004 _cell_length_b 9.86771890 _cell_length_c 11.39978991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,929
20,560
mp-1103816
-0.364939
3.1796
BaGaH5
0.000535
['Ba', 'Ga', 'H']
# generated using pymatgen data_BaGaH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61165800 _cell_length_b 5.02455700 _cell_length_c 8.59863415 _cell_angle_alpha 89.82709226 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_BaGaH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02455700 _cell_length_b 4.61165800 _cell_length_c 8.59863415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.17290774 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,930
44,557
mp-1077147
-0.476055
0
HoSi2
0.078275
['Ho', 'Si']
# generated using pymatgen data_HoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86410349 _cell_length_b 7.86410349 _cell_length_c 7.86410349 _cell_angle_alpha 150.90332163 _cell_angle_beta 150.90332163 _cell_angle_gamma 41.61702024 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_HoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95087400 _cell_length_b 3.95087400 _cell_length_c 14.70230200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,931
41,181
mp-1215665
-1.418503
0
Zr3CoSe6
0.060702
['Co', 'Se', 'Zr']
# generated using pymatgen data_Zr3CoSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15467915 _cell_length_b 7.15467915 _cell_length_c 7.15467948 _cell_angle_alpha 53.85024721 _cell_angle_beta 53.85024721 _cell_angle_gamma 53.85025328 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_Zr3CoSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47964574 _cell_length_b 6.47964574 _cell_length_c 18.29610599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,932
20,393
mp-669347
-2.359646
0
KCuF3
0.000223
['K', 'Cu', 'F']
# generated using pymatgen data_KCuF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76071802 _cell_length_b 5.76071802 _cell_length_c 5.76071802 _cell_angle_alpha 118.81601605 _cell_angle_beta 118.81601605 _cell_angle_gamma 92.06325305 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_KCuF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86350199 _cell_length_b 5.86350199 _cell_length_c 7.99888599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
25,933
43,032
mp-1094056
0.070136
0.4267
Si7Ge
0.070136
['Ge', 'Si']
# generated using pymatgen data_Si7Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49906200 _cell_length_b 5.49906200 _cell_length_c 5.49906200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
215
215
# generated using pymatgen data_Si7Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49906200 _cell_length_b 5.49906200 _cell_length_c 5.49906200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
25,934
40,738
mp-1225246
-1.796819
1.1583
Ga(FeO2)2
0.056639
['Fe', 'Ga', 'O']
# generated using pymatgen data_Ga(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01367509 _cell_length_b 6.01367509 _cell_length_c 6.01367509 _cell_angle_alpha 120.91701300 _cell_angle_beta 120.40278722 _cell_angle_gamma 88.86135829 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
74
74
# generated using pymatgen data_Ga(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93013000 _cell_length_b 5.97702600 _cell_length_c 8.58870600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,935
24,552
mp-1120725
-1.629237
1.955
CsPbBr3
0.007656
['Br', 'Cs', 'Pb']
# generated using pymatgen data_CsPbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43631265 _cell_length_b 8.43631265 _cell_length_c 6.02834400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.13887476 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_CsPbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.91628000 _cell_length_b 11.94519800 _cell_length_c 6.02834400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,936
4,165
mp-1208511
-2.545205
0
Sr2YbBiO6
0
['Bi', 'O', 'Sr', 'Yb']
# generated using pymatgen data_Sr2YbBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95325044 _cell_length_b 6.13182500 _cell_length_c 8.48194543 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.28146003 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Sr2YbBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95325044 _cell_length_b 6.13182500 _cell_length_c 10.30136468 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.58187014 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,937
43,478
mp-980052
-0.220008
0
Yb3In
0.068799
['Yb', 'In']
# generated using pymatgen data_Yb3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61260775 _cell_length_b 5.61260775 _cell_length_c 5.61260775 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
225
225
# generated using pymatgen data_Yb3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93742600 _cell_length_b 7.93742600 _cell_length_c 7.93742600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
25,938
41,971
mp-867680
-1.116898
0.2506
NaTlO
0.061891
['Na', 'O', 'Tl']
# generated using pymatgen data_NaTlO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64919300 _cell_length_b 6.14336700 _cell_length_c 12.80177851 _cell_angle_alpha 89.94682973 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_NaTlO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14336700 _cell_length_b 3.64919300 _cell_length_c 12.80177851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.05317027 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,939
40,441
mp-761032
-2.377922
0
Hf5N5O2
0.055379
['Hf', 'N', 'O']
# generated using pymatgen data_Hf5N5O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43065267 _cell_length_b 5.43065267 _cell_length_c 9.11705535 _cell_angle_alpha 75.17307713 _cell_angle_beta 75.17307713 _cell_angle_gamma 32.80971378 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Hf5N5O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.41914201 _cell_length_b 3.06748000 _cell_length_c 9.11705535 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.47154756 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,940
10,674
mp-1225597
-0.592296
0
Er2Ga3Cu
0
['Cu', 'Er', 'Ga']
# generated using pymatgen data_Er2Ga3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35708449 _cell_length_b 4.35708449 _cell_length_c 7.13786300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000749 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
156
156
# generated using pymatgen data_Er2Ga3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35708449 _cell_length_b 4.35708449 _cell_length_c 7.13786300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,941
43,889
mp-755571
-2.295448
2.2375
Li2VGa3O8
0.07197
['Ga', 'Li', 'O', 'V']
# generated using pymatgen data_Li2VGa3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19017200 _cell_length_b 5.44754694 _cell_length_c 6.70815626 _cell_angle_alpha 89.85625008 _cell_angle_beta 89.64854404 _cell_angle_gamma 89.96638536 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
1
1
# generated using pymatgen data_Li2VGa3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19017200 _cell_length_b 5.44754694 _cell_length_c 6.70815626 _cell_angle_alpha 89.85625008 _cell_angle_beta 89.64854404 _cell_angle_gamma 89.96638536 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,942
25,713
mp-1217790
-1.230304
0
Ta(Mo2S5)2
0.008906
['Mo', 'S', 'Ta']
# generated using pymatgen data_Ta(Mo2S5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59849812 _cell_length_b 6.63770031 _cell_length_c 8.55479159 _cell_angle_alpha 100.56296053 _cell_angle_beta 70.90563448 _cell_angle_gamma 81.93895969 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
1
1
# generated using pymatgen data_Ta(Mo2S5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59849812 _cell_length_b 6.63770031 _cell_length_c 8.55479159 _cell_angle_alpha 100.56296053 _cell_angle_beta 109.09436552 _cell_angle_gamma 98.06104031 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,943
34,760
mp-1226860
-3.692118
0
Ce3PrO8
0.032375
['Ce', 'O', 'Pr']
# generated using pymatgen data_Ce3PrO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76700379 _cell_length_b 6.76700379 _cell_length_c 6.76700379 _cell_angle_alpha 131.86294971 _cell_angle_beta 131.86294971 _cell_angle_gamma 70.44556923 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Ce3PrO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51956000 _cell_length_b 5.51956000 _cell_length_c 11.05614200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,944
27,109
mp-1185787
-0.037419
0
Mg3Pb
0.01199
['Mg', 'Pb']
# generated using pymatgen data_Mg3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51315106 _cell_length_b 6.51315106 _cell_length_c 5.27305000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999041 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Mg3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51315106 _cell_length_b 6.51315106 _cell_length_c 5.27305000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,945
40,999
mp-1001017
-0.804082
0.0371
Zn(InSe2)2
0.059227
['In', 'Se', 'Zn']
# generated using pymatgen data_Zn(InSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00330325 _cell_length_b 8.00330325 _cell_length_c 8.00330325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
227
227
# generated using pymatgen data_Zn(InSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.31838000 _cell_length_b 11.31838000 _cell_length_c 11.31838000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,946
9,091
mp-1113566
-2.067164
0
Cs2EuAgCl6
0
['Ag', 'Cl', 'Cs', 'Eu']
# generated using pymatgen data_Cs2EuAgCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70395525 _cell_length_b 7.70395525 _cell_length_c 7.70395525 _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_Cs2EuAgCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.89503800 _cell_length_b 10.89503800 _cell_length_c 10.89503800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,947
33,879
mp-569008
-0.860026
1.3653
PdCl2
0.03017
['Pd', 'Cl']
# generated using pymatgen data_PdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41075700 _cell_length_b 4.42254900 _cell_length_c 11.57904900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
58
58
# generated using pymatgen data_PdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41075700 _cell_length_b 4.42254900 _cell_length_c 11.57904900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,948
14,021
mp-1029375
-0.975621
2.982
BaCN2
0
['Ba', 'C', 'N']
# generated using pymatgen data_BaCN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73691828 _cell_length_b 5.73691828 _cell_length_c 5.73691801 _cell_angle_alpha 44.45054818 _cell_angle_beta 44.45054818 _cell_angle_gamma 44.45055776 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
166
166
# generated using pymatgen data_BaCN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33996951 _cell_length_b 4.33996951 _cell_length_c 15.48237938 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,949
6,910
mp-6983
-1.046756
1.4612
NaAgO
0
['Ag', 'Na', 'O']
# generated using pymatgen data_NaAgO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18074445 _cell_length_b 7.18074445 _cell_length_c 7.18074445 _cell_angle_alpha 96.12109542 _cell_angle_beta 96.12109542 _cell_angle_gamma 141.88186416 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_NaAgO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59842800 _cell_length_b 9.59842800 _cell_length_c 4.68964000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,950
12,100
mp-1183453
-0.502136
0
Ca2TlHg
0
['Ca', 'Hg', 'Tl']
# generated using pymatgen data_Ca2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43016289 _cell_length_b 5.43016289 _cell_length_c 5.43016289 _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_Ca2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67941000 _cell_length_b 7.67941000 _cell_length_c 7.67941000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,951
16,224
mp-18953
-2.700881
0.001
NaV(OF)2
0
['F', 'Na', 'O', 'V']
# generated using pymatgen data_NaV(OF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57551600 _cell_length_b 6.56286279 _cell_length_c 7.32158901 _cell_angle_alpha 110.04631364 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
4
4
# generated using pymatgen data_NaV(OF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56286279 _cell_length_b 3.57551600 _cell_length_c 7.32158901 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.04631364 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,952
34,770
mp-1227724
-2.341177
0
Ca3Mn4BiO12
0.032784
['Bi', 'Ca', 'Mn', 'O']
# generated using pymatgen data_Ca3Mn4BiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66142300 _cell_length_b 5.41155300 _cell_length_c 5.49067003 _cell_angle_alpha 89.76794325 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
6
6
# generated using pymatgen data_Ca3Mn4BiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41155300 _cell_length_b 7.66142300 _cell_length_c 5.49067003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.23205675 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,953
40,415
mp-755253
-2.95105
0
LiZrO2
0.055671
['Li', 'Zr', 'O']
# generated using pymatgen data_LiZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43223900 _cell_length_b 5.43223900 _cell_length_c 5.43223900 _cell_angle_alpha 132.74119159 _cell_angle_beta 132.74119159 _cell_angle_gamma 69.06088453 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_LiZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35469200 _cell_length_b 4.35469200 _cell_length_c 8.95043001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,954
38,463
mp-8781
-0.643288
1.5319
SnS
0.045891
['Sn', 'S']
# generated using pymatgen data_SnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16294935 _cell_length_b 4.16294935 _cell_length_c 11.23619300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.69869116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
39
39
# generated using pymatgen data_SnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85129400 _cell_length_b 5.92308600 _cell_length_c 11.23619300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
25,955
8,711
mp-1226720
-0.194813
0
CdSnAu
0
['Au', 'Cd', 'Sn']
# generated using pymatgen data_CdSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70074123 _cell_length_b 4.70074123 _cell_length_c 4.70074123 _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_CdSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64785200 _cell_length_b 6.64785200 _cell_length_c 6.64785200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,956
43,328
mp-625996
-1.481332
2.9046
NaHO
0.070481
['H', 'Na', 'O']
# generated using pymatgen data_NaHO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64313400 _cell_length_b 3.38049600 _cell_length_c 5.64919792 _cell_angle_alpha 79.81485707 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na...
6
6
# generated using pymatgen data_NaHO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38049600 _cell_length_b 3.64313400 _cell_length_c 5.64919792 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.18514293 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,957
24,399
mp-567905
-0.206633
0
U3Ni3Sn4
0.006885
['Ni', 'Sn', 'U']
# generated using pymatgen data_U3Ni3Sn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08991222 _cell_length_b 8.08991222 _cell_length_c 8.08991222 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
220
220
# generated using pymatgen data_U3Ni3Sn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34142600 _cell_length_b 9.34142600 _cell_length_c 9.34142600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,958
19,127
mp-1188946
-1.905834
0
Re2BiO6
0
['Bi', 'O', 'Re']
# generated using pymatgen data_Re2BiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99645900 _cell_length_b 5.59226725 _cell_length_c 8.50736990 _cell_angle_alpha 92.15817848 _cell_angle_beta 107.07689077 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Re2BiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.26458601 _cell_length_b 4.99645900 _cell_length_c 5.59226725 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.25776821 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,959
40,884
mp-753549
-2.752927
1.519
LiV6O7F5
0.05692
['F', 'Li', 'O', 'V']
# generated using pymatgen data_LiV6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81366400 _cell_length_b 6.09138736 _cell_length_c 6.13815333 _cell_angle_alpha 100.73310583 _cell_angle_beta 100.40312049 _cell_angle_gamma 98.79544098 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
1
1
# generated using pymatgen data_LiV6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81366400 _cell_length_b 6.09138736 _cell_length_c 6.13815333 _cell_angle_alpha 100.73310583 _cell_angle_beta 100.40312049 _cell_angle_gamma 98.79544098 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,960
1,525
mp-1071260
-0.867995
0
LaSnAu
0
['Au', 'La', 'Sn']
# generated using pymatgen data_LaSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81123325 _cell_length_b 4.81123325 _cell_length_c 7.93419700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998967 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_LaSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81123325 _cell_length_b 4.81123325 _cell_length_c 7.93419700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,961
16,205
mp-1540904
-3.601117
6.2586
KTaF6
0
['F', 'K', 'Ta']
# generated using pymatgen data_KTaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34129923 _cell_length_b 5.34129923 _cell_length_c 10.00263989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
132
132
# generated using pymatgen data_KTaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34129923 _cell_length_b 5.34129923 _cell_length_c 10.00263989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,962
28,829
mp-2282
-0.576997
0
NiS2
0.015161
['Ni', 'S']
# generated using pymatgen data_NiS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60624500 _cell_length_b 5.60624500 _cell_length_c 5.60624500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni...
205
205
# generated using pymatgen data_NiS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60624500 _cell_length_b 5.60624500 _cell_length_c 5.60624500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni...
25,963
37,091
mp-1114425
-1.624686
2.9612
Rb2LiNdI6
0.041572
['I', 'Li', 'Nd', 'Rb']
# generated using pymatgen data_Rb2LiNdI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60861777 _cell_length_b 8.60861777 _cell_length_c 8.60861777 _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_Rb2LiNdI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.17442400 _cell_length_b 12.17442400 _cell_length_c 12.17442400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,964
34,787
mp-13108
-3.780055
3.7906
SrHfO3
0.032896
['Sr', 'Hf', 'O']
# generated using pymatgen data_SrHfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13810900 _cell_length_b 4.13810900 _cell_length_c 4.14673600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
99
99
# generated using pymatgen data_SrHfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13810900 _cell_length_b 4.13810900 _cell_length_c 4.14673600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,965
43,528
mp-1038860
0.059679
0
Ce2Mg
0.072216
['Ce', 'Mg']
# generated using pymatgen data_Ce2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55429271 _cell_length_b 6.55429271 _cell_length_c 8.06143506 _cell_angle_alpha 73.06853327 _cell_angle_beta 73.06853327 _cell_angle_gamma 28.32789652 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
8
8
# generated using pymatgen data_Ce2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71007801 _cell_length_b 3.20763600 _cell_length_c 8.06143506 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.47914759 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,966
40,376
mp-677308
-2.456219
0
NaPr2Cl6
0.055635
['Cl', 'Na', 'Pr']
# generated using pymatgen data_NaPr2Cl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95570600 _cell_length_b 7.98991200 _cell_length_c 16.00004754 _cell_angle_alpha 60.04417122 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_NaPr2Cl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98991200 _cell_length_b 3.95570600 _cell_length_c 16.00004754 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.95582878 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,967
2,520
mp-10616
-0.946717
0.5928
BaLiAs
0
['Ba', 'Li', 'As']
# generated using pymatgen data_BaLiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55516422 _cell_length_b 4.55516422 _cell_length_c 4.62038800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000324 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_BaLiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55516422 _cell_length_b 4.55516422 _cell_length_c 4.62038800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,968
11,195
mp-1222965
-0.448046
0
LaYIn6
0
['In', 'La', 'Y']
# generated using pymatgen data_LaYIn6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75329600 _cell_length_b 4.75329600 _cell_length_c 9.38039200 _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_LaYIn6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75329600 _cell_length_b 4.75329600 _cell_length_c 9.38039200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,969
38,217
mp-1222883
0.046995
0
LaDy
0.046995
['Dy', 'La']
# generated using pymatgen data_LaDy _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66002644 _cell_length_b 3.66002644 _cell_length_c 5.96489300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000791 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
187
187
# generated using pymatgen data_LaDy _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66002644 _cell_length_b 3.66002644 _cell_length_c 5.96489300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
25,970
13,760
mp-22277
-0.835078
0
EuCuAs
0
['As', 'Cu', 'Eu']
# generated using pymatgen data_EuCuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21810741 _cell_length_b 4.21810741 _cell_length_c 8.27753100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999071 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_EuCuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21810741 _cell_length_b 4.21810741 _cell_length_c 8.27753100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,971
43,239
mp-1227694
-2.888731
0
BaSr3Pd2(OF)4
0.069868
['Ba', 'F', 'O', 'Pd', 'Sr']
# generated using pymatgen data_BaSr3Pd2(OF)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12893200 _cell_length_b 4.12893200 _cell_length_c 13.30505600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
99
99
# generated using pymatgen data_BaSr3Pd2(OF)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12893200 _cell_length_b 4.12893200 _cell_length_c 13.30505600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
25,972
17,140
mp-1205987
-0.235698
0
Dy2MgCu2
0
['Cu', 'Dy', 'Mg']
# generated using pymatgen data_Dy2MgCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73388800 _cell_length_b 7.73388800 _cell_length_c 3.61747600 _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_Dy2MgCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73388800 _cell_length_b 7.73388800 _cell_length_c 3.61747600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,973
30,666
mp-1211085
-0.724132
0.667
LiCa2FeN2
0.021102
['Ca', 'Fe', 'Li', 'N']
# generated using pymatgen data_LiCa2FeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34630200 _cell_length_b 5.34630200 _cell_length_c 6.70142700 _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_LiCa2FeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34630200 _cell_length_b 5.34630200 _cell_length_c 6.70142700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,974
1,197
mp-1213258
-0.285653
0
Er6InCo2
0
['Co', 'Er', 'In']
# generated using pymatgen data_Er6InCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27389174 _cell_length_b 8.27389174 _cell_length_c 8.27389174 _cell_angle_alpha 111.71165504 _cell_angle_beta 110.05922187 _cell_angle_gamma 106.68280198 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Er6InCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28789400 _cell_length_b 9.48441200 _cell_length_c 9.87978200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,975
19,655
mp-1212232
-0.601866
0
Ho4Ga12Pd
0
['Ga', 'Ho', 'Pd']
# generated using pymatgen data_Ho4Ga12Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48006753 _cell_length_b 7.48006753 _cell_length_c 7.48006753 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
229
229
# generated using pymatgen data_Ho4Ga12Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63723800 _cell_length_b 8.63723800 _cell_length_c 8.63723800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,976
22,447
mp-761275
-3.097555
1.9036
LiVF5
0.002926
['F', 'Li', 'V']
# generated using pymatgen data_LiVF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30026829 _cell_length_b 5.30026829 _cell_length_c 7.61042629 _cell_angle_alpha 68.79685356 _cell_angle_beta 68.79685356 _cell_angle_gamma 74.21870030 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
15
15
# generated using pymatgen data_LiVF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45377400 _cell_length_b 6.39570800 _cell_length_c 7.61042629 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.96976119 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,977
10,730
mp-20474
-0.650917
0.2651
MnCu2GeS4
0
['Mn', 'Cu', 'Ge', 'S']
# generated using pymatgen data_MnCu2GeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23957500 _cell_length_b 6.50448300 _cell_length_c 7.59316400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
31
31
# generated using pymatgen data_MnCu2GeS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23957500 _cell_length_b 6.50448300 _cell_length_c 7.59316400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,978
12,387
mp-642304
-0.369342
0
Ba(Ge3Pt)4
0
['Ba', 'Ge', 'Pt']
# generated using pymatgen data_Ba(Ge3Pt)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64508347 _cell_length_b 7.64508347 _cell_length_c 7.64508347 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
204
204
# generated using pymatgen data_Ba(Ge3Pt)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82778200 _cell_length_b 8.82778200 _cell_length_c 8.82778200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,979
22,656
mp-1216354
-0.673011
0
VCrP2
0.003771
['Cr', 'P', 'V']
# generated using pymatgen data_VCrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11539900 _cell_length_b 5.40467800 _cell_length_c 6.06561500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
26
26
# generated using pymatgen data_VCrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11539900 _cell_length_b 5.40467800 _cell_length_c 6.06561500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
25,980
12,594
mp-1184092
-0.60565
0
Er2CuPd
0
['Cu', 'Er', 'Pd']
# generated using pymatgen data_Er2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88681496 _cell_length_b 4.88681496 _cell_length_c 4.88681496 _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_Er2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91099999 _cell_length_b 6.91099999 _cell_length_c 6.91099999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,981
27,934
mp-762225
-2.670384
4.474
BaCO3
0.013237
['Ba', 'C', 'O']
# generated using pymatgen data_BaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40390300 _cell_length_b 4.58013700 _cell_length_c 6.98229272 _cell_angle_alpha 72.64213507 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
4
4
# generated using pymatgen data_BaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58013700 _cell_length_b 5.40390300 _cell_length_c 6.98229272 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.35786493 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,982
10,240
mp-1604
-0.826879
0
Pt3O4
0
['Pt', 'O']
# generated using pymatgen data_Pt3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66568400 _cell_length_b 5.66568400 _cell_length_c 5.66568400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
223
223
# generated using pymatgen data_Pt3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66568400 _cell_length_b 5.66568400 _cell_length_c 5.66568400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
25,983
30,911
mp-755574
-3.784134
5.743
LuAlO3
0.021033
['Al', 'Lu', 'O']
# generated using pymatgen data_LuAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11999600 _cell_length_b 5.36178700 _cell_length_c 7.36044000 _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_LuAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11999600 _cell_length_b 5.36178700 _cell_length_c 7.36044000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,984
25,811
mp-1567273
-2.332825
1.3796
MgMn(GeO3)2
0.009052
['Ge', 'Mg', 'Mn', 'O']
# generated using pymatgen data_MgMn(GeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26927974 _cell_length_b 6.77480543 _cell_length_c 6.77479206 _cell_angle_alpha 86.70608140 _cell_angle_beta 82.38576796 _cell_angle_gamma 82.38558923 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
15
15
# generated using pymatgen data_MgMn(GeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85242126 _cell_length_b 9.30168735 _cell_length_c 5.26927974 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.49950721 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,985
39,656
mp-1208525
-2.273383
0
Sr2YCu2PbO7
0.052642
['Cu', 'O', 'Pb', 'Sr', 'Y']
# generated using pymatgen data_Sr2YCu2PbO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82078000 _cell_length_b 3.82078000 _cell_length_c 12.28713400 _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_Sr2YCu2PbO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82078000 _cell_length_b 3.82078000 _cell_length_c 12.28713400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,986
33,039
mp-1102384
-1.133626
1.9681
Rb2S
0.027441
['Rb', 'S']
# generated using pymatgen data_Rb2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14692400 _cell_length_b 8.46901000 _cell_length_c 10.02205500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
62
62
# generated using pymatgen data_Rb2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14692400 _cell_length_b 8.46901000 _cell_length_c 10.02205500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
25,987
43,543
mp-10844
-0.508489
0
Te2Ir
0.072232
['Te', 'Ir']
# generated using pymatgen data_Te2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54262500 _cell_length_b 6.54262500 _cell_length_c 6.54262500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
205
205
# generated using pymatgen data_Te2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54262500 _cell_length_b 6.54262500 _cell_length_c 6.54262500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
25,988
33,147
mp-121
0.027311
0
Hg
0.027311
['Hg']
# generated using pymatgen data_Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17934341 _cell_length_b 3.17934341 _cell_length_c 3.17934326 _cell_angle_alpha 72.22490836 _cell_angle_beta 72.22490836 _cell_angle_gamma 72.22491275 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg _...
166
166
# generated using pymatgen data_Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74763185 _cell_length_b 3.74763185 _cell_length_c 6.98854673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg ...
25,989
12,372
mp-570272
-0.284312
0
Tb2Mg3Ni2
0
['Tb', 'Mg', 'Ni']
# generated using pymatgen data_Tb2Mg3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.73055680 _cell_length_b 10.73055680 _cell_length_c 3.63011900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.76342302 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
65
65
# generated using pymatgen data_Tb2Mg3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95453400 _cell_length_b 21.09362600 _cell_length_c 3.63011900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,990
34,841
mp-445
-0.030274
0
NdCo2
0.032341
['Nd', 'Co']
# generated using pymatgen data_NdCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14421880 _cell_length_b 5.14421880 _cell_length_c 5.14421880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
227
227
# generated using pymatgen data_NdCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27502399 _cell_length_b 7.27502399 _cell_length_c 7.27502399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,991
8,833
mp-29606
-1.678057
1.4122
Rb2Zn3O4
0
['O', 'Rb', 'Zn']
# generated using pymatgen data_Rb2Zn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41706780 _cell_length_b 8.41706780 _cell_length_c 5.87011771 _cell_angle_alpha 78.96159012 _cell_angle_beta 78.96159012 _cell_angle_gamma 46.22958701 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Rb2Zn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.48269401 _cell_length_b 6.60865400 _cell_length_c 5.87011771 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.01569588 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,992
18,732
mp-20360
-0.228982
0
PuIn3
0
['In', 'Pu']
# generated using pymatgen data_PuIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67006600 _cell_length_b 4.67006600 _cell_length_c 4.67006600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
221
221
# generated using pymatgen data_PuIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67006600 _cell_length_b 4.67006600 _cell_length_c 4.67006600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
25,993
29,179
mp-1215670
-0.645209
0.0133
ZnCu2SnSe3S
0.016792
['Cu', 'S', 'Se', 'Sn', 'Zn']
# generated using pymatgen data_ZnCu2SnSe3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69192100 _cell_length_b 5.69394107 _cell_length_c 6.95314975 _cell_angle_alpha 114.00851665 _cell_angle_beta 114.09595738 _cell_angle_gamma 90.13183007 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1
1
# generated using pymatgen data_ZnCu2SnSe3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69192100 _cell_length_b 5.69394107 _cell_length_c 6.95314975 _cell_angle_alpha 114.00851665 _cell_angle_beta 114.09595738 _cell_angle_gamma 90.13183007 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,994
28,342
mp-29617
-0.22292
0
V3Sb2
0.014357
['V', 'Sb']
# generated using pymatgen data_V3Sb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53451057 _cell_length_b 7.53451057 _cell_length_c 7.53451020 _cell_angle_alpha 42.96213624 _cell_angle_beta 42.96213624 _cell_angle_gamma 42.96213842 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
166
166
# generated using pymatgen data_V3Sb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51818180 _cell_length_b 5.51818180 _cell_length_c 20.48337473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,995
41,325
mp-21131
-0.504891
0
CaMnSb2
0.058939
['Ca', 'Mn', 'Sb']
# generated using pymatgen data_CaMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37691500 _cell_length_b 4.38323900 _cell_length_c 21.07593900 _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_CaMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37691500 _cell_length_b 4.38323900 _cell_length_c 21.07593900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,996
25,975
mp-975972
-0.082201
0
PrLuMg2
0.009019
['Pr', 'Lu', 'Mg']
# generated using pymatgen data_PrLuMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39906716 _cell_length_b 5.39906716 _cell_length_c 5.39906716 _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_PrLuMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63543400 _cell_length_b 7.63543400 _cell_length_c 7.63543400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,997
38,979
mp-973464
0.047726
0
LaEr3
0.047726
['Er', 'La']
# generated using pymatgen data_LaEr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19606225 _cell_length_b 6.19606225 _cell_length_c 6.19606225 _cell_angle_alpha 131.69590089 _cell_angle_beta 131.69590089 _cell_angle_gamma 70.70974448 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_LaEr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07035600 _cell_length_b 5.07035600 _cell_length_c 10.10681600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,998
24,895
mp-643022
-0.335759
2.7413
Rb3H5Pd
0.00766
['H', 'Pd', 'Rb']
# generated using pymatgen data_Rb3H5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82870400 _cell_length_b 7.82870400 _cell_length_c 6.10974200 _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_Rb3H5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82870400 _cell_length_b 7.82870400 _cell_length_c 6.10974200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,999
40,497
mvc-3578
-2.522366
0.5341
Ca2Cr3O8
0.054462
['Ca', 'Cr', 'O']
# generated using pymatgen data_Ca2Cr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32661027 _cell_length_b 6.32661027 _cell_length_c 5.04584555 _cell_angle_alpha 72.37370244 _cell_angle_beta 72.37370244 _cell_angle_gamma 56.79934098 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ca2Cr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.13042200 _cell_length_b 6.01811400 _cell_length_c 5.04584555 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.13514493 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...