Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
-5.15
0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
0
0.08
elements
stringlengths
5
40
cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
1
229
cif.conv
stringlengths
696
5.07k
23,300
33,559
mp-1106409
-0.416475
0
Tb4ZrAl15
0.029336
['Al', 'Tb', 'Zr']
# generated using pymatgen data_Tb4ZrAl15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.51443202 _cell_length_b 12.51443202 _cell_length_c 12.51443257 _cell_angle_alpha 28.06630933 _cell_angle_beta 28.06630933 _cell_angle_gamma 28.06630856 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
166
166
# generated using pymatgen data_Tb4ZrAl15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06908215 _cell_length_b 6.06908215 _cell_length_c 36.04161268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,301
45,056
mp-1179901
-0.462589
0
NaCu3NiSe4
0.079955
['Cu', 'Na', 'Ni', 'Se']
# generated using pymatgen data_NaCu3NiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83630500 _cell_length_b 5.83630500 _cell_length_c 5.83630500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
215
215
# generated using pymatgen data_NaCu3NiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83630500 _cell_length_b 5.83630500 _cell_length_c 5.83630500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,302
1,656
mp-1211270
-2.308431
4.5134
KYbBr3
0
['Br', 'K', 'Yb']
# generated using pymatgen data_KYbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69781500 _cell_length_b 8.04372100 _cell_length_c 11.09011900 _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_KYbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69781500 _cell_length_b 8.04372100 _cell_length_c 11.09011900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,303
6,676
mp-1211699
-2.753311
3.4098
K2RbLuV2O8
0
['K', 'Lu', 'O', 'Rb', 'V']
# generated using pymatgen data_K2RbLuV2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96356407 _cell_length_b 5.96356407 _cell_length_c 7.76894100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000076 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
164
164
# generated using pymatgen data_K2RbLuV2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96356407 _cell_length_b 5.96356407 _cell_length_c 7.76894100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,304
34,132
mp-1187638
0.031417
0
Tl3In
0.031417
['In', 'Tl']
# generated using pymatgen data_Tl3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92998200 _cell_length_b 4.92998200 _cell_length_c 4.92998200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
221
221
# generated using pymatgen data_Tl3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92998200 _cell_length_b 4.92998200 _cell_length_c 4.92998200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,305
35,401
mp-644762
-0.35261
0
Eu(ZnSn)2
0.03546
['Eu', 'Sn', 'Zn']
# generated using pymatgen data_Eu(ZnSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58474500 _cell_length_b 4.63670600 _cell_length_c 11.32971597 _cell_angle_alpha 89.25686007 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
11
11
# generated using pymatgen data_Eu(ZnSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63670600 _cell_length_b 4.58474500 _cell_length_c 11.32971597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.74313993 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,306
35,460
mp-764046
-2.694534
0
V3(O2F)2
0.034247
['F', 'O', 'V']
# generated using pymatgen data_V3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71532200 _cell_length_b 8.96750727 _cell_length_c 4.73741294 _cell_angle_alpha 91.76346417 _cell_angle_beta 90.00124675 _cell_angle_gamma 89.99689873 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_V3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73741294 _cell_length_b 4.71532200 _cell_length_c 10.01222197 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.46177242 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,307
7,995
mp-998746
-1.02854
2.2918
TlGeBr3
0
['Br', 'Ge', 'Tl']
# generated using pymatgen data_TlGeBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22387600 _cell_length_b 9.76670500 _cell_length_c 15.61516800 _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_TlGeBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22387600 _cell_length_b 9.76670500 _cell_length_c 15.61516800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,308
20,751
mp-1286265
-2.628632
1.1218
Ba3Cr2O8
0.000967
['Ba', 'Cr', 'O']
# generated using pymatgen data_Ba3Cr2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96298509 _cell_length_b 7.98083409 _cell_length_c 7.98117157 _cell_angle_alpha 42.95717561 _cell_angle_beta 43.00826585 _cell_angle_gamma 43.01377057 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_Ba3Cr2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.12396511 _cell_length_b 5.84454412 _cell_length_c 7.96298509 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.84784966 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,309
33,126
mp-1190067
-1.032067
0
Er5Pt3
0.027263
['Er', 'Pt']
# generated using pymatgen data_Er5Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11425400 _cell_length_b 8.35662875 _cell_length_c 8.34777619 _cell_angle_alpha 120.03509118 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Er5Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34777588 _cell_length_b 8.34777588 _cell_length_c 6.11425400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,310
26,025
mp-1079822
-0.635059
0
Hf2InPd2
0.009995
['Hf', 'In', 'Pd']
# generated using pymatgen data_Hf2InPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52788800 _cell_length_b 7.52788800 _cell_length_c 3.40084100 _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_Hf2InPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52788800 _cell_length_b 7.52788800 _cell_length_c 3.40084100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,311
11,006
mp-1018029
-0.123097
0
CuPd
0
['Cu', 'Pd']
# generated using pymatgen data_CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01813100 _cell_length_b 3.01813100 _cell_length_c 3.01813100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu...
221
221
# generated using pymatgen data_CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01813100 _cell_length_b 3.01813100 _cell_length_c 3.01813100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu...
23,312
15,105
mp-1187172
-0.793198
2.0279
SrHN
0
['H', 'N', 'Sr']
# generated using pymatgen data_SrHN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94514500 _cell_length_b 5.72302300 _cell_length_c 7.57366100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr...
62
62
# generated using pymatgen data_SrHN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94514500 _cell_length_b 5.72302300 _cell_length_c 7.57366100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr...
23,313
25,991
mp-9897
-0.005502
0.2794
Te3As2
0.009404
['As', 'Te']
# generated using pymatgen data_Te3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.37431555 _cell_length_b 10.37431555 _cell_length_c 10.37431532 _cell_angle_alpha 22.73438318 _cell_angle_beta 22.73438318 _cell_angle_gamma 22.73438323 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_Te3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08947197 _cell_length_b 4.08947197 _cell_length_c 30.30621143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,314
4,074
mp-1104365
-0.642581
0
Y5Ir2
0
['Ir', 'Y']
# generated using pymatgen data_Y5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54930400 _cell_length_b 7.23126974 _cell_length_c 8.54227768 _cell_angle_alpha 96.23142699 _cell_angle_beta 112.54112543 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_Y5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.77937416 _cell_length_b 6.54930400 _cell_length_c 7.23126974 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.74916000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,315
39,376
mp-642737
-1.056438
0
Cu2H3ClO3
0.051431
['Cl', 'Cu', 'H', 'O']
# generated using pymatgen data_Cu2H3ClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14297082 _cell_length_b 6.14297082 _cell_length_c 6.14297065 _cell_angle_alpha 68.52442217 _cell_angle_beta 68.52442217 _cell_angle_gamma 68.52441426 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_Cu2H3ClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91675230 _cell_length_b 6.91675230 _cell_length_c 14.00358585 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,316
22,809
mp-2280
-0.393811
0
CuSe2
0.0041
['Cu', 'Se']
# generated using pymatgen data_CuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15881500 _cell_length_b 6.15881500 _cell_length_c 6.15881500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
205
205
# generated using pymatgen data_CuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15881500 _cell_length_b 6.15881500 _cell_length_c 6.15881500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
23,317
9,873
mp-567998
-0.464541
1.8619
ICl
0
['Cl', 'I']
# generated using pymatgen data_ICl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39071200 _cell_length_b 11.61393700 _cell_length_c 12.52418771 _cell_angle_alpha 66.62918136 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...
14
14
# generated using pymatgen data_ICl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.61393700 _cell_length_b 5.39071200 _cell_length_c 12.52418771 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.37081864 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,318
42,134
mp-1186228
-0.417455
0
NbSiRu2
0.064323
['Nb', 'Ru', 'Si']
# generated using pymatgen data_NbSiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34573403 _cell_length_b 4.34573403 _cell_length_c 4.34573403 _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_NbSiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14579600 _cell_length_b 6.14579600 _cell_length_c 6.14579600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,319
44,403
mp-755547
-3.145512
2.4524
LiVF4
0.075279
['F', 'Li', 'V']
# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67634017 _cell_length_b 6.67634017 _cell_length_c 6.64613942 _cell_angle_alpha 73.79191991 _cell_angle_beta 73.79191991 _cell_angle_gamma 35.57431558 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
12
12
# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71439401 _cell_length_b 4.07900200 _cell_length_c 6.64613942 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.04598921 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,320
43,079
mp-1112492
-1.539758
1.7562
Cs2TlGaBr6
0.06942
['Br', 'Cs', 'Ga', 'Tl']
# generated using pymatgen data_Cs2TlGaBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16374154 _cell_length_b 8.16374154 _cell_length_c 8.16374154 _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_Cs2TlGaBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.54527401 _cell_length_b 11.54527401 _cell_length_c 11.54527401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,321
28,482
mp-976598
-0.535229
0
LiHf2Ir
0.01417
['Li', 'Hf', 'Ir']
# generated using pymatgen data_LiHf2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62772397 _cell_length_b 4.62772397 _cell_length_c 4.62772397 _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_LiHf2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54459000 _cell_length_b 6.54459000 _cell_length_c 6.54459000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,322
9,936
mp-862969
-0.109563
0
PmYMg2
0
['Pm', 'Y', 'Mg']
# generated using pymatgen data_PmYMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41983488 _cell_length_b 5.41983488 _cell_length_c 5.41983488 _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_PmYMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66480399 _cell_length_b 7.66480399 _cell_length_c 7.66480399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,323
13,888
mp-7263
-0.843398
0
CaGaN
0
['Ca', 'Ga', 'N']
# generated using pymatgen data_CaGaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59225600 _cell_length_b 3.59225600 _cell_length_c 7.56092000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
129
129
# generated using pymatgen data_CaGaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59225600 _cell_length_b 3.59225600 _cell_length_c 7.56092000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
23,324
4,258
mp-2014
-1.611178
0
DyP
0
['Dy', 'P']
# generated using pymatgen data_DyP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00831540 _cell_length_b 4.00831540 _cell_length_c 4.00831540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyP...
225
225
# generated using pymatgen data_DyP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66861400 _cell_length_b 5.66861400 _cell_length_c 5.66861400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyP...
23,325
23,567
mp-11690
-0.533976
0
Tc2P3
0.00564
['Tc', 'P']
# generated using pymatgen data_Tc2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39718865 _cell_length_b 6.39718865 _cell_length_c 9.04489134 _cell_angle_alpha 57.28714639 _cell_angle_beta 57.28714639 _cell_angle_gamma 28.17949614 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
12
12
# generated using pymatgen data_Tc2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.40946600 _cell_length_b 3.11468200 _cell_length_c 9.04489134 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.86181903 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,326
42,173
mp-1215491
-0.369016
0
Zr2Al3Cr
0.065478
['Al', 'Cr', 'Zr']
# generated using pymatgen data_Zr2Al3Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24153282 _cell_length_b 5.24153282 _cell_length_c 5.24153307 _cell_angle_alpha 60.66610988 _cell_angle_beta 60.66610988 _cell_angle_gamma 60.66609703 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Zr2Al3Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29421657 _cell_length_b 5.29421657 _cell_length_c 12.77406792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,327
29,722
mp-1217687
-0.395414
0
Tb2Al3Fe
0.017669
['Al', 'Fe', 'Tb']
# generated using pymatgen data_Tb2Al3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39655421 _cell_length_b 5.39655421 _cell_length_c 5.39655397 _cell_angle_alpha 61.61239033 _cell_angle_beta 61.61239033 _cell_angle_gamma 61.61238363 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Tb2Al3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52753621 _cell_length_b 5.52753621 _cell_length_c 13.05542785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,328
6,210
mp-12647
-3.567559
3.5286
TbNbO4
0
['Tb', 'Nb', 'O']
# generated using pymatgen data_TbNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64131062 _cell_length_b 6.64131062 _cell_length_c 5.16582027 _cell_angle_alpha 68.76923087 _cell_angle_beta 68.76923087 _cell_angle_gamma 114.42529756 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_TbNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19284000 _cell_length_b 11.16651601 _cell_length_c 5.16582027 _cell_angle_alpha 90.00000000 _cell_angle_beta 131.96809193 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,329
32,337
mp-23066
-0.853922
1.9432
Pb5(SI3)2
0.025141
['I', 'Pb', 'S']
# generated using pymatgen data_Pb5(SI3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86460754 _cell_length_b 7.86460754 _cell_length_c 15.01029181 _cell_angle_alpha 81.87949004 _cell_angle_beta 81.87949004 _cell_angle_gamma 33.37834292 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Pb5(SI3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.06665000 _cell_length_b 4.51710800 _cell_length_c 15.01029181 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.48018822 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,330
1,040
mp-1079893
-1.77017
0
BaTiSe3
0
['Ba', 'Se', 'Ti']
# generated using pymatgen data_BaTiSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12279216 _cell_length_b 7.12279216 _cell_length_c 6.06651300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000147 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_BaTiSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12279216 _cell_length_b 7.12279216 _cell_length_c 6.06651300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,331
14,039
mp-1077503
-0.514055
0
TiSi2
0
['Si', 'Ti']
# generated using pymatgen data_TiSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97971100 _cell_length_b 6.97971100 _cell_length_c 3.57180800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.45694381 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_TiSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55916800 _cell_length_b 13.49806600 _cell_length_c 3.57180800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,332
9,559
mp-1103757
-0.518272
0
Cu5Sn2Se7
0
['Cu', 'Se', 'Sn']
# generated using pymatgen data_Cu5Sn2Se7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98932052 _cell_length_b 6.98932052 _cell_length_c 9.03011780 _cell_angle_alpha 82.58986953 _cell_angle_beta 82.58986953 _cell_angle_gamma 48.27268935 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
5
5
# generated using pymatgen data_Cu5Sn2Se7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.75655801 _cell_length_b 5.71599800 _cell_length_c 9.03011780 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.12460631 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,333
11,394
mp-570232
-2.723705
4.6475
TbCl3
0
['Tb', 'Cl']
# generated using pymatgen data_TbCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53127800 _cell_length_b 6.53127800 _cell_length_c 11.73480300 _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_TbCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53127800 _cell_length_b 6.53127800 _cell_length_c 11.73480300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,334
29,225
mp-1221064
-3.227331
0
NaEuTi2O6
0.016412
['Eu', 'Na', 'O', 'Ti']
# generated using pymatgen data_NaEuTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43782000 _cell_length_b 5.50522100 _cell_length_c 7.74591000 _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_NaEuTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43782000 _cell_length_b 5.50522100 _cell_length_c 7.74591000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,335
25,137
mp-1187876
-0.540506
0
YRh2Pb
0.008213
['Pb', 'Rh', 'Y']
# generated using pymatgen data_YRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77932059 _cell_length_b 4.77932059 _cell_length_c 4.77932059 _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_YRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75898000 _cell_length_b 6.75898000 _cell_length_c 6.75898000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,336
44,112
mp-1120769
0.075696
0
RuPt
0.075696
['Pt', 'Ru']
# generated using pymatgen data_RuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74632800 _cell_length_b 2.74632800 _cell_length_c 3.91487400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ru...
123
123
# generated using pymatgen data_RuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74632800 _cell_length_b 2.74632800 _cell_length_c 3.91487400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ru...
23,337
43,156
mp-1215923
0.069214
0
YTh
0.069214
['Th', 'Y']
# generated using pymatgen data_YTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52874988 _cell_length_b 3.52874988 _cell_length_c 5.94979200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999767 _symmetry_Int_Tables_number 1 _chemical_formula_structural YT...
187
187
# generated using pymatgen data_YTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52874988 _cell_length_b 3.52874988 _cell_length_c 5.94979200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YT...
23,338
18,176
mp-1211056
-0.67168
0
LiMoN2
0
['Li', 'Mo', 'N']
# generated using pymatgen data_LiMoN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58436205 _cell_length_b 5.58436205 _cell_length_c 5.58436172 _cell_angle_alpha 30.26088121 _cell_angle_beta 30.26088121 _cell_angle_gamma 30.26088640 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
160
160
# generated using pymatgen data_LiMoN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91523171 _cell_length_b 2.91523171 _cell_length_c 15.97404640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,339
12,620
mp-1189927
-2.081743
0
EuZrS3
0
['Eu', 'S', 'Zr']
# generated using pymatgen data_EuZrS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73833500 _cell_length_b 7.12656200 _cell_length_c 9.79036300 _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_EuZrS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73833500 _cell_length_b 7.12656200 _cell_length_c 9.79036300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,340
30,470
mp-978960
0.019327
0
Sm3Tm
0.019327
['Sm', 'Tm']
# generated using pymatgen data_Sm3Tm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23906500 _cell_length_b 6.23906500 _cell_length_c 6.23906500 _cell_angle_alpha 131.64513077 _cell_angle_beta 131.64513077 _cell_angle_gamma 70.79008503 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Sm3Tm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11059000 _cell_length_b 5.11059000 _cell_length_c 10.17189599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,341
15,481
mp-972228
-1.054282
0
Zr3As2
0
['Zr', 'As']
# generated using pymatgen data_Zr3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78947000 _cell_length_b 10.18481200 _cell_length_c 10.63463400 _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_Zr3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78947000 _cell_length_b 10.18481200 _cell_length_c 10.63463400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,342
27,768
mp-1226710
-0.324579
0
CeY4Zn5
0.013192
['Ce', 'Y', 'Zn']
# generated using pymatgen data_CeY4Zn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60349500 _cell_length_b 3.60349500 _cell_length_c 18.08652300 _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_CeY4Zn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60349500 _cell_length_b 3.60349500 _cell_length_c 18.08652300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,343
908
mp-1078269
-1.596995
0.0021
Sr2UCu2S5
0
['Cu', 'S', 'Sr', 'U']
# generated using pymatgen data_Sr2UCu2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87533328 _cell_length_b 6.87533328 _cell_length_c 9.36927754 _cell_angle_alpha 64.78415419 _cell_angle_beta 64.78415419 _cell_angle_gamma 33.82523336 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Sr2UCu2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.15594401 _cell_length_b 4.00024600 _cell_length_c 9.36927754 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.44179470 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,344
18,218
mp-12668
-3.577321
3.1344
Tb2SO2
0
['O', 'S', 'Tb']
# generated using pymatgen data_Tb2SO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83263005 _cell_length_b 3.83263005 _cell_length_c 6.64590500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000085 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Tb2SO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83263005 _cell_length_b 3.83263005 _cell_length_c 6.64590500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,345
4,345
mp-4881
-0.82676
0
Er(SiNi)2
0
['Er', 'Si', 'Ni']
# generated using pymatgen data_Er(SiNi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51748510 _cell_length_b 5.51748510 _cell_length_c 5.51748510 _cell_angle_alpha 138.02208587 _cell_angle_beta 138.02208587 _cell_angle_gamma 60.86917473 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Er(SiNi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95259400 _cell_length_b 3.95259400 _cell_length_c 9.51444001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,346
15,448
mp-865487
-0.409903
0
VZnRh2
0
['V', 'Zn', 'Rh']
# generated using pymatgen data_VZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28407997 _cell_length_b 4.28407997 _cell_length_c 4.28407997 _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_VZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05860400 _cell_length_b 6.05860400 _cell_length_c 6.05860400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,347
2,560
mp-1102776
-0.949677
0
Yb2Pt
0
['Pt', 'Yb']
# generated using pymatgen data_Yb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40739700 _cell_length_b 7.56800800 _cell_length_c 8.91534100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
62
62
# generated using pymatgen data_Yb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40739700 _cell_length_b 7.56800800 _cell_length_c 8.91534100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
23,348
42,480
mp-998235
-2.452634
0
CsTlF3
0.064264
['Cs', 'F', 'Tl']
# generated using pymatgen data_CsTlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79643536 _cell_length_b 4.79643536 _cell_length_c 4.79672200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.15156832 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_CsTlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77420600 _cell_length_b 6.79215000 _cell_length_c 4.79672200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,349
28,863
mp-547517
-1.8859
0
Sr2Cu3(ClO2)2
0.015381
['Cl', 'Cu', 'O', 'Sr']
# generated using pymatgen data_Sr2Cu3(ClO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55502784 _cell_length_b 7.55502784 _cell_length_c 7.55502784 _cell_angle_alpha 137.38813447 _cell_angle_beta 137.38813447 _cell_angle_gamma 61.84140329 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
139
139
# generated using pymatgen data_Sr2Cu3(ClO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49020400 _cell_length_b 5.49020400 _cell_length_c 12.96260401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
23,350
15,588
mp-11512
-0.736202
0
LiAl2Ir
0
['Li', 'Al', 'Ir']
# generated using pymatgen data_LiAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27494840 _cell_length_b 4.27494840 _cell_length_c 4.27494840 _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_LiAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04569001 _cell_length_b 6.04569001 _cell_length_c 6.04569001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,351
7,572
mp-1105449
-0.925942
1.5815
SmTl(PSe3)2
0
['P', 'Se', 'Sm', 'Tl']
# generated using pymatgen data_SmTl(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75592700 _cell_length_b 6.91199800 _cell_length_c 10.35507989 _cell_angle_alpha 88.99944142 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
4
4
# generated using pymatgen data_SmTl(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91199800 _cell_length_b 7.75592700 _cell_length_c 10.35507989 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.00055858 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,352
32,070
mp-1113356
-1.843026
2.2676
Cs2NdCuBr6
0.024891
['Br', 'Cs', 'Cu', 'Nd']
# generated using pymatgen data_Cs2NdCuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94165768 _cell_length_b 7.94165768 _cell_length_c 7.94165768 _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_Cs2NdCuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.23120000 _cell_length_b 11.23120000 _cell_length_c 11.23120000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,353
6,089
mp-1105674
-0.520426
0
Mg2BeB2Ir5
0
['B', 'Be', 'Ir', 'Mg']
# generated using pymatgen data_Mg2BeB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28687200 _cell_length_b 9.28687200 _cell_length_c 2.89891100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
127
127
# generated using pymatgen data_Mg2BeB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28687200 _cell_length_b 9.28687200 _cell_length_c 2.89891100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,354
2,486
mp-984048
-0.423221
0
CeYIn2
0
['Ce', 'In', 'Y']
# generated using pymatgen data_CeYIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40199175 _cell_length_b 5.40199175 _cell_length_c 5.40199175 _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_CeYIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63957000 _cell_length_b 7.63957000 _cell_length_c 7.63957000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,355
4,893
mp-568809
-0.330828
0
Ba5Al5Pb
0
['Ba', 'Al', 'Pb']
# generated using pymatgen data_Ba5Al5Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11798934 _cell_length_b 6.11798934 _cell_length_c 11.22353600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999288 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
187
187
# generated using pymatgen data_Ba5Al5Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11798934 _cell_length_b 6.11798934 _cell_length_c 11.22353600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,356
32,610
mp-1185349
-0.253236
0
LiEu2Hg
0.026831
['Eu', 'Hg', 'Li']
# generated using pymatgen data_LiEu2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54531947 _cell_length_b 5.54531947 _cell_length_c 5.54531947 _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_LiEu2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84226600 _cell_length_b 7.84226600 _cell_length_c 7.84226600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,357
23,887
mp-626727
-1.797637
4.3531
SrH4O3
0.005584
['H', 'O', 'Sr']
# generated using pymatgen data_SrH4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84351100 _cell_length_b 3.69473900 _cell_length_c 6.20974860 _cell_angle_alpha 89.82012427 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_SrH4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69473900 _cell_length_b 6.84351100 _cell_length_c 6.20974860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.17987573 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,358
28,213
mp-1220309
-0.672759
0
Nd2Sn4Rh
0.014221
['Nd', 'Rh', 'Sn']
# generated using pymatgen data_Nd2Sn4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59969500 _cell_length_b 4.59761700 _cell_length_c 9.02342155 _cell_angle_alpha 75.24062154 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_Nd2Sn4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59761700 _cell_length_b 17.45137400 _cell_length_c 4.59969500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,359
7,593
mp-11687
-0.607792
0
VTe2
0
['V', 'Te']
# generated using pymatgen data_VTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62561958 _cell_length_b 7.62561958 _cell_length_c 9.36610582 _cell_angle_alpha 68.21364616 _cell_angle_beta 68.21364616 _cell_angle_gamma 27.11787531 _symmetry_Int_Tables_number 1 _chemical_formula_structural VT...
12
12
# generated using pymatgen data_VTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.82617601 _cell_length_b 3.57558400 _cell_length_c 9.36610582 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.44444110 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,360
7,366
mp-553896
-2.935472
3.3729
K3MoF6
0
['K', 'Mo', 'F']
# generated using pymatgen data_K3MoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50655194 _cell_length_b 6.50655194 _cell_length_c 6.50655194 _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_K3MoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20165400 _cell_length_b 9.20165400 _cell_length_c 9.20165400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,361
2,462
mp-867339
-0.345126
0.5693
CsK2Bi
0
['Cs', 'K', 'Bi']
# generated using pymatgen data_CsK2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30664013 _cell_length_b 6.30664013 _cell_length_c 6.30664013 _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_CsK2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91893600 _cell_length_b 8.91893600 _cell_length_c 8.91893600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,362
22,550
mp-1106002
-0.382754
0
PuReB2
0.003865
['B', 'Pu', 'Re']
# generated using pymatgen data_PuReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37345900 _cell_length_b 5.78738000 _cell_length_c 6.46330300 _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_PuReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37345900 _cell_length_b 5.78738000 _cell_length_c 6.46330300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,363
42,984
mp-999558
-0.283055
0
Mn2SiNi
0.068034
['Mn', 'Si', 'Ni']
# generated using pymatgen data_Mn2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00356364 _cell_length_b 4.00356364 _cell_length_c 4.00356364 _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_Mn2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66189400 _cell_length_b 5.66189400 _cell_length_c 5.66189400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,364
10,780
mp-27837
-2.474585
6.8217
NaHF2
0
['Na', 'H', 'F']
# generated using pymatgen data_NaHF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04911029 _cell_length_b 5.04911029 _cell_length_c 5.04911109 _cell_angle_alpha 40.83379218 _cell_angle_beta 40.83379218 _cell_angle_gamma 40.83378746 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
166
166
# generated using pymatgen data_NaHF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52274833 _cell_length_b 3.52274833 _cell_length_c 13.86406819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,365
14,736
mp-14635
-1.104366
1.0475
Rb2VAgSe4
0
['Ag', 'Rb', 'Se', 'V']
# generated using pymatgen data_Rb2VAgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.16300263 _cell_length_b 12.63641405 _cell_length_c 7.69558378 _cell_angle_alpha 84.59784614 _cell_angle_beta 62.65417209 _cell_angle_gamma 32.74798177 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
70
70
# generated using pymatgen data_Rb2VAgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05150000 _cell_length_b 14.15158600 _cell_length_c 24.53762800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,366
26,661
mp-1206621
-1.810278
3.6207
KYbI3
0.01112
['I', 'K', 'Yb']
# generated using pymatgen data_KYbI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04725340 _cell_length_b 8.04725340 _cell_length_c 11.78395400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.84840330 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_KYbI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59149800 _cell_length_b 15.42567001 _cell_length_c 11.78395400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,367
16,117
mp-1188590
-0.477729
0
TaReSi
0
['Re', 'Si', 'Ta']
# generated using pymatgen data_TaReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55859750 _cell_length_b 7.55859750 _cell_length_c 7.55859750 _cell_angle_alpha 127.24930486 _cell_angle_beta 124.52978386 _cell_angle_gamma 80.08896109 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
46
46
# generated using pymatgen data_TaReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71581000 _cell_length_b 7.03530800 _cell_length_c 11.57289601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,368
7,882
mp-568252
-1.406806
1.7758
Rb2Hg2PdCl8
0
['Cl', 'Hg', 'Pd', 'Rb']
# generated using pymatgen data_Rb2Hg2PdCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85821787 _cell_length_b 6.85821787 _cell_length_c 10.28368456 _cell_angle_alpha 73.76418123 _cell_angle_beta 73.76418123 _cell_angle_gamma 61.88704633 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
12
12
# generated using pymatgen data_Rb2Hg2PdCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76423800 _cell_length_b 7.05289400 _cell_length_c 10.28368456 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.02542713 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
23,369
39,933
mp-759738
-2.495733
3.0125
LiFeSiO4
0.052746
['Fe', 'Li', 'O', 'Si']
# generated using pymatgen data_LiFeSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47422532 _cell_length_b 5.47422532 _cell_length_c 8.75983393 _cell_angle_alpha 89.96835155 _cell_angle_beta 89.96835155 _cell_angle_gamma 123.32580291 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
9
9
# generated using pymatgen data_LiFeSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19677200 _cell_length_b 9.63650000 _cell_length_c 8.75983393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.06667630 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,370
3,816
mp-28480
-2.301065
0
Sc2NCl2
0
['Sc', 'N', 'Cl']
# generated using pymatgen data_Sc2NCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36966209 _cell_length_b 3.36966209 _cell_length_c 9.56576600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000180 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Sc2NCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36966209 _cell_length_b 3.36966209 _cell_length_c 9.56576600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,371
5,728
mp-1539332
-3.324814
4.1957
TiZnF6
0
['F', 'Ti', 'Zn']
# generated using pymatgen data_TiZnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49309159 _cell_length_b 5.49309159 _cell_length_c 5.49309209 _cell_angle_alpha 58.15879566 _cell_angle_beta 58.15879566 _cell_angle_gamma 58.15880153 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_TiZnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33951788 _cell_length_b 5.33951788 _cell_length_c 13.63947071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,372
25,027
mp-1079250
-0.808749
0
SmNiSb2
0.008078
['Ni', 'Sb', 'Sm']
# generated using pymatgen data_SmNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39866200 _cell_length_b 4.39866200 _cell_length_c 9.55392800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_SmNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39866200 _cell_length_b 4.39866200 _cell_length_c 9.55392800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,373
44,222
mp-1223581
-0.570561
0
K8Sb2Te
0.075178
['K', 'Sb', 'Te']
# generated using pymatgen data_K8Sb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.35621321 _cell_length_b 10.35621321 _cell_length_c 10.35621321 _cell_angle_alpha 132.00985179 _cell_angle_beta 132.00985179 _cell_angle_gamma 70.21346750 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
119
119
# generated using pymatgen data_K8Sb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42287600 _cell_length_b 8.42287600 _cell_length_c 16.94446600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,374
42,507
mp-1024989
-0.494458
0
YB2Pd2C
0.065826
['B', 'C', 'Pd', 'Y']
# generated using pymatgen data_YB2Pd2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01027654 _cell_length_b 6.01027654 _cell_length_c 6.01027654 _cell_angle_alpha 143.23954113 _cell_angle_beta 143.23954113 _cell_angle_gamma 52.96597680 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_YB2Pd2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79034000 _cell_length_b 3.79034000 _cell_length_c 10.75919800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,375
40,401
mp-754167
-2.715278
0
Mn5OF11
0.055547
['F', 'Mn', 'O']
# generated using pymatgen data_Mn5OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26325424 _cell_length_b 5.70992589 _cell_length_c 9.23451623 _cell_angle_alpha 73.24115398 _cell_angle_beta 91.37187183 _cell_angle_gamma 116.04404864 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Mn5OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26325424 _cell_length_b 5.70992589 _cell_length_c 9.35263038 _cell_angle_alpha 70.98516887 _cell_angle_beta 75.85272789 _cell_angle_gamma 63.95595136 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,376
6,400
mp-756124
-3.215348
2.5126
TbCrO3
0
['Cr', 'O', 'Tb']
# generated using pymatgen data_TbCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32639400 _cell_length_b 5.60689500 _cell_length_c 7.68288000 _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_TbCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32639400 _cell_length_b 5.60689500 _cell_length_c 7.68288000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,377
20,562
mp-1104815
-0.048158
0
LaMg12
0.000756
['La', 'Mg']
# generated using pymatgen data_LaMg12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90676507 _cell_length_b 7.90676507 _cell_length_c 7.90676507 _cell_angle_alpha 98.10057913 _cell_angle_beta 98.10057913 _cell_angle_gamma 135.90421757 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_LaMg12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36412999 _cell_length_b 10.36412999 _cell_length_c 5.93610600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,378
6,196
mp-1224283
-0.846194
0
HfTaB4
0
['B', 'Hf', 'Ta']
# generated using pymatgen data_HfTaB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12568285 _cell_length_b 3.12568285 _cell_length_c 6.79959000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001803 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_HfTaB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12568285 _cell_length_b 3.12568285 _cell_length_c 6.79959000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,379
3,526
mp-1077547
-0.411837
0
TmNi4Au
0
['Au', 'Ni', 'Tm']
# generated using pymatgen data_TmNi4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90292993 _cell_length_b 4.90292993 _cell_length_c 4.90292993 _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_TmNi4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93379000 _cell_length_b 6.93379000 _cell_length_c 6.93379000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,380
24,833
mp-27652
-1.318681
0
ThI2
0.007519
['I', 'Th']
# generated using pymatgen data_ThI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96975776 _cell_length_b 3.96975776 _cell_length_c 37.95277900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999603 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_ThI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96975776 _cell_length_b 3.96975776 _cell_length_c 37.95277900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,381
513
mp-23705
-0.277704
2.8147
Na3AlH6
0
['Al', 'H', 'Na']
# generated using pymatgen data_Na3AlH6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54309500 _cell_length_b 5.34582800 _cell_length_c 9.38352470 _cell_angle_alpha 55.24512261 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_Na3AlH6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34582800 _cell_length_b 5.54309500 _cell_length_c 9.38352470 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.75487739 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,382
11,057
mp-1103095
-0.466276
0
TbGaCo
0
['Co', 'Ga', 'Tb']
# generated using pymatgen data_TbGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24005800 _cell_length_b 6.85821100 _cell_length_c 7.40426400 _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_TbGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24005800 _cell_length_b 6.85821100 _cell_length_c 7.40426400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,383
10,851
mp-558102
-2.978344
4.7214
KLiSi2O5
0
['K', 'Li', 'O', 'Si']
# generated using pymatgen data_KLiSi2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87450900 _cell_length_b 6.08470000 _cell_length_c 8.30369295 _cell_angle_alpha 86.56193316 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_KLiSi2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08470000 _cell_length_b 4.87450900 _cell_length_c 8.30369295 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.43806684 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,384
20,575
mp-11307
-0.098453
0
MgCd
0.000478
['Mg', 'Cd']
# generated using pymatgen data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25519000 _cell_length_b 4.97647800 _cell_length_c 5.34563000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
51
51
# generated using pymatgen data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25519000 _cell_length_b 4.97647800 _cell_length_c 5.34563000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
23,385
34,848
mp-541669
-2.721929
0.8257
LiFe2F6
0.033193
['F', 'Fe', 'Li']
# generated using pymatgen data_LiFe2F6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74426700 _cell_length_b 4.74426700 _cell_length_c 9.30729300 _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_LiFe2F6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74426700 _cell_length_b 4.74426700 _cell_length_c 9.30729300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,386
40,562
mp-1106172
-0.592964
5.4345
BH5NCl
0.058423
['B', 'Cl', 'H', 'N']
# generated using pymatgen data_BH5NCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68170750 _cell_length_b 4.68170750 _cell_length_c 8.67051100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.01214440 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_BH5NCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14220399 _cell_length_b 7.06730999 _cell_length_c 8.67051100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,387
5,015
mp-10326
-2.101831
4.0065
Zn(ReO4)2
0
['Zn', 'Re', 'O']
# generated using pymatgen data_Zn(ReO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81148642 _cell_length_b 5.81148642 _cell_length_c 6.72350600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000483 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
147
147
# generated using pymatgen data_Zn(ReO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81148642 _cell_length_b 5.81148642 _cell_length_c 6.72350600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,388
22,450
mp-776167
-3.618035
0
CeAlO3
0.003075
['Al', 'Ce', 'O']
# generated using pymatgen data_CeAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35205400 _cell_length_b 5.35388700 _cell_length_c 7.64016500 _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_CeAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35205400 _cell_length_b 5.35388700 _cell_length_c 7.64016500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,389
25,707
mp-1217276
-0.67734
0
Th2Si3Os
0.009297
['Os', 'Si', 'Th']
# generated using pymatgen data_Th2Si3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79467642 _cell_length_b 7.79467642 _cell_length_c 7.79467642 _cell_angle_alpha 149.48129067 _cell_angle_beta 148.71075947 _cell_angle_gamma 44.27316554 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
44
44
# generated using pymatgen data_Th2Si3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10294200 _cell_length_b 4.20397800 _cell_length_c 14.44023400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,390
40,140
mp-1208604
-2.691335
0
SrTi4(CuO4)3
0.055299
['Cu', 'O', 'Sr', 'Ti']
# generated using pymatgen data_SrTi4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49501559 _cell_length_b 6.49501559 _cell_length_c 6.49501559 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
204
204
# generated using pymatgen data_SrTi4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49979800 _cell_length_b 7.49979800 _cell_length_c 7.49979800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,391
28,022
mp-1038814
-0.085168
0
MgCd
0.013762
['Mg', 'Cd']
# generated using pymatgen data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50562600 _cell_length_b 3.50562600 _cell_length_c 3.50562600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
221
221
# generated using pymatgen data_MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50562600 _cell_length_b 3.50562600 _cell_length_c 3.50562600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
23,392
39,047
mp-1095016
-0.055502
0
CaMg2
0.05058
['Ca', 'Mg']
# generated using pymatgen data_CaMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26424182 _cell_length_b 6.26424182 _cell_length_c 6.26424182 _cell_angle_alpha 143.81157171 _cell_angle_beta 143.81157171 _cell_angle_gamma 52.10915170 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_CaMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89110200 _cell_length_b 3.89110200 _cell_length_c 11.25528999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,393
32,718
mp-1222206
-0.214486
0
Mn10(SiGe)3
0.026613
['Ge', 'Mn', 'Si']
# generated using pymatgen data_Mn10(SiGe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01870763 _cell_length_b 7.01870763 _cell_length_c 4.88496400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999649 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
189
189
# generated using pymatgen data_Mn10(SiGe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01870763 _cell_length_b 7.01870763 _cell_length_c 4.88496400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,394
17,256
mp-2013
-0.215986
0
HoTl3
0
['Ho', 'Tl']
# generated using pymatgen data_HoTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77154600 _cell_length_b 4.77154600 _cell_length_c 4.77154600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
221
221
# generated using pymatgen data_HoTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77154600 _cell_length_b 4.77154600 _cell_length_c 4.77154600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
23,395
26,909
mp-643263
-1.747349
4.0436
Na3VH6O7
0.011064
['H', 'Na', 'O', 'V']
# generated using pymatgen data_Na3VH6O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58858274 _cell_length_b 5.58858274 _cell_length_c 5.58858233 _cell_angle_alpha 100.00373742 _cell_angle_beta 100.00373742 _cell_angle_gamma 100.00374030 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
146
146
# generated using pymatgen data_Na3VH6O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56243976 _cell_length_b 8.56243976 _cell_length_c 7.81947440 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,396
38,129
mp-1187219
-0.232873
0
Ta3Pt
0.047241
['Pt', 'Ta']
# generated using pymatgen data_Ta3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12861800 _cell_length_b 4.12861800 _cell_length_c 4.12861800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
221
221
# generated using pymatgen data_Ta3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12861800 _cell_length_b 4.12861800 _cell_length_c 4.12861800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,397
13,331
mp-3653
-2.227293
1.0527
Mg(SbO3)2
0
['Mg', 'O', 'Sb']
# generated using pymatgen data_Mg(SbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72889100 _cell_length_b 4.72889100 _cell_length_c 9.38538300 _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_Mg(SbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72889100 _cell_length_b 4.72889100 _cell_length_c 9.38538300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,398
41,125
mp-1184365
-0.525903
0
EuAu3
0.059974
['Au', 'Eu']
# generated using pymatgen data_EuAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01185124 _cell_length_b 5.01185124 _cell_length_c 5.01185124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural E...
225
225
# generated using pymatgen data_EuAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08782800 _cell_length_b 7.08782800 _cell_length_c 7.08782800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural E...
23,399
1,089
mp-1112964
-2.483409
4.7709
Cs3TbCl6
0
['Cl', 'Cs', 'Tb']
# generated using pymatgen data_Cs3TbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40330649 _cell_length_b 8.40330649 _cell_length_c 8.40330649 _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_Cs3TbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.88407001 _cell_length_b 11.88407001 _cell_length_c 11.88407001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...