ids stringlengths 4 10 | material_id stringlengths 4 10 | pretty_formula stringlengths 1 17 | cif stringlengths 689 1.73k | cif.conv stringlengths 696 5.07k | pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 11.8 | e_above_hull float64 0 0.08 | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | elements listlengths 1 7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1225204 | mp-1225204 | Fe3(Se2S)2 | # generated using pymatgen
data_Fe3(Se2S)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52880600
_cell_length_b 7.46259700
_cell_length_c 10.83084911
_cell_angle_alpha 80.81417435
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Fe3(Se2S)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46259700
_cell_length_b 3.52880600
_cell_length_c 10.83084911
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.18582565
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7644029999999995,
6.111826626121346,
6.174839535636652
],
[
1.7644029999999993,
3.6897535981560945,
-0.5864919694950022
],
[
1.764403,
1.191919421270918,
3.3616676759625816
],
[
3.528806,
2.456896340970355,
6.888724688459346
],
[
-4.50509863415... | [
[
3.528806,
0,
2.1607704863559874e-16
],
[
-4.510922234758383e-16,
7.366895071949011,
-1.1913064187279423
],
[
0,
0,
10.83084911
]
] | [
26,
26,
26,
26,
26,
26,
34,
34,
34,
34,
34,
34,
34,
34,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.698754 | 0.503 | 0.030432 | 6 | 6 | [
"Fe",
"S",
"Se"
] |
mp-2686 | mp-2686 | Ca2N | # generated using pymatgen
data_Ca2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74241484
_cell_length_b 6.74241484
_cell_length_c 6.74241453
_cell_angle_alpha 31.04755714
_cell_angle_beta 31.04755714
_cell_angle_gamma 31.04755241
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca... | # generated using pymatgen
data_Ca2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60905622
_cell_length_b 3.60905622
_cell_length_c 19.23708778
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.7196055582198424,
2.2580500599031983,
6.836363997855672
],
[
1.362336548249722,
0.8270296611385441,
1.8378932316932068
],
[
0,
0,
0
]
] | [
[
3.4773962117451944,
0,
0.9659213497744408
],
[
1.6045458947243703,
3.085079721041743,
0.9659213497744408
],
[
0,
0,
6.74241453
]
] | [
20,
20,
7
] | [
1,
1,
1
] | -0.875917 | 0 | 0 | 166 | 166 | [
"Ca",
"N"
] |
mp-1186508 | mp-1186508 | Pm2InSn | # generated using pymatgen
data_Pm2InSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45782208
_cell_length_b 5.45782208
_cell_length_c 5.45782208
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pm2InSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71852601
_cell_length_b 7.71852601
_cell_length_c 7.71852601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.726612570615625,
3.3422198007238872,
8.18673312
],
[
1.5755375235385416,
1.1140732669079625,
2.7289110400000003
],
[
3.151075047077083,
2.228146533815925,
5.457822080000001
],
[
0,
0,
0
]
] | [
[
4.726612570615625,
0,
2.7289110400000007
],
[
1.5755375235385416,
4.45629306763185,
2.7289110400000003
],
[
0,
0,
5.45782208
]
] | [
61,
61,
49,
50
] | [
1,
1,
1
] | -0.545607 | 0 | 0 | 225 | 225 | [
"In",
"Pm",
"Sn"
] |
mp-1247276 | mp-1247276 | Mg2TiMn3S8 | # generated using pymatgen
data_Mg2TiMn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30750100
_cell_length_b 7.30856919
_cell_length_c 7.30652794
_cell_angle_alpha 60.16933739
_cell_angle_beta 60.14872480
_cell_angle_gamma 60.17903002
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Mg2TiMn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32702338
_cell_length_b 7.32702338
_cell_length_c 17.87727832
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
7.376007808236351,
5.220661190930345,
12.726951195500526
],
[
1.071723502242444,
0.7583937075004066,
1.8500954458700019
],
[
4.223362150065128,
2.9897370945887194,
7.288675730087132
],
[
1.0547682435243015,
2.9890354865875213,
5.471225427723827
],
[
... | [
[
6.338408361400691,
0,
3.6345467368196616
],
[
2.109097946575255,
5.978764390269027,
3.6339583215006868
],
[
0,
0,
7.30856919
]
] | [
12,
12,
22,
25,
25,
25,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.192009 | 0 | 0.045455 | 166 | 166 | [
"Mg",
"Mn",
"S",
"Ti"
] |
mp-1102907 | mp-1102907 | YbNiGe | # generated using pymatgen
data_YbNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27223700
_cell_length_b 6.92045800
_cell_length_c 7.00346800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27223700
_cell_length_b 6.92045800
_cell_length_c 7.00346800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.06805925,
0.12195231087599999,
5.633302517012
],
[
1.0680592499999997,
3.5821813108760003,
4.871899482988
],
[
3.204177749999999,
6.798505689124,
1.3701654829880006
],
[
3.2041777499999995,
3.3382766891239997,
2.1315685170120005
],
[
1.06805924... | [
[
4.272237,
0,
2.6159906836244454e-16
],
[
-4.2375583691668466e-16,
6.920458,
4.2375583691668466e-16
],
[
0,
0,
7.003468
]
] | [
70,
70,
70,
70,
28,
28,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.673202 | 0 | 0 | 62 | 62 | [
"Ge",
"Ni",
"Yb"
] |
mp-1216110 | mp-1216110 | Y2AlFe3 | # generated using pymatgen
data_Y2AlFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22882028
_cell_length_b 5.22882028
_cell_length_c 5.22881982
_cell_angle_alpha 59.97680848
_cell_angle_beta 59.97680848
_cell_angle_gamma 59.97681784
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y2AlFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22698752
_cell_length_b 5.22698752
_cell_length_c 12.81018535
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.7369564520752011,
0.5210157156521008,
3.951776874947743
],
[
5.300057892417039,
3.74705106121175,
6.5021969152858325
],
[
3.0185071722461196,
2.1340333884319245,
5.226986895116786
],
[
0.7548908758377857,
2.134033388431925,
1.3062884925583935
],
[
... | [
[
4.527232592816668,
0,
2.6125769851167875
],
[
1.5097817516755714,
4.26806677686385,
2.612576985116787
],
[
0,
0,
5.22881982
]
] | [
39,
39,
13,
26,
26,
26
] | [
1,
1,
1
] | -0.166463 | 0 | 0.017427 | 166 | 166 | [
"Al",
"Fe",
"Y"
] |
mp-1105912 | mp-1105912 | Ce2AlGe6 | # generated using pymatgen
data_Ce2AlGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03626729
_cell_length_b 6.03626729
_cell_length_c 10.67514292
_cell_angle_alpha 81.91830453
_cell_angle_beta 81.91830453
_cell_angle_gamma 91.33126229
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ce2AlGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.43682400
_cell_length_b 8.63516600
_cell_length_c 10.67514292
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.60525154
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.8041533807626653,
3.978714021953222,
6.379179199394024
],
[
3.9396112937619026,
0.9779012129775032,
6.379179199394024
],
[
4.910020949378049,
1.991852707869677,
2.5987471997480442
],
[
1.774563036378812,
4.9926655168453955,
2.5987471997480442
],
[
... | [
[
5.976318834923021,
0,
-0.848608260428966
],
[
-0.2621445047823066,
5.970566729822899,
-0.848608260428966
],
[
0,
0,
10.67514292
]
] | [
58,
58,
58,
58,
13,
13,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.437775 | 0 | 0 | 12 | 12 | [
"Al",
"Ce",
"Ge"
] |
mp-1522436 | mp-1522436 | BaSrEuBiO6 | # generated using pymatgen
data_BaSrEuBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10794000
_cell_length_b 6.22574754
_cell_length_c 8.70914008
_cell_angle_alpha 90.14926096
_cell_angle_beta 89.81327248
_cell_angle_gamma 89.87595902
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaSrEuBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10794000
_cell_length_b 6.22574754
_cell_length_c 8.70914008
_cell_angle_alpha 90.14926096
_cell_angle_beta 90.18672752
_cell_angle_gamma 90.12404098
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
6.050707983538433,
0.24968982574951926,
2.193847073361879
],
[
0.07073076500294893,
5.9760218841149895,
6.5189801624444055
],
[
3.132601791816075,
3.407614417092005,
2.1867965603209543
],
[
2.9888369567253057,
2.818097292772504,
6.5260306754853294
],
... | [
[
6.107907563366351,
0,
0.01990580247381605
],
[
0.013531185175030446,
6.225711709864509,
-0.016218646667531155
],
[
0,
0,
8.70914008
]
] | [
56,
56,
38,
38,
63,
63,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.601279 | 0 | 0.009872 | 2 | 2 | [
"Ba",
"Bi",
"Eu",
"O",
"Sr"
] |
mp-9385 | mp-9385 | RbAu3Se2 | # generated using pymatgen
data_RbAu3Se2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28977394
_cell_length_b 6.28977394
_cell_length_c 5.63066500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999938
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_RbAu3Se2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28977394
_cell_length_b 6.28977394
_cell_length_c 5.63066500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.8153325,
0,
1.7238939673302578e-16
],
[
2.08546120661347e-15,
5.447104050132291,
-5.894333440339695e-8
],
[
1.042730603306735e-15,
2.7235520250661454,
1.5724434555283315
],
[
1.042730603306735e-15,
2.7235520250661454,
-1.5724435144716673
],
[
1... | [
[
5.630665,
0,
3.4477879346605156e-16
],
[
2.08546120661347e-15,
5.447104050132291,
-3.1448870289433346
],
[
0,
0,
6.289773939999999
]
] | [
37,
79,
79,
79,
34,
34
] | [
1,
1,
1
] | -0.608768 | 1.831 | 0 | 164 | 164 | [
"Rb",
"Au",
"Se"
] |
mp-1216700 | mp-1216700 | V10(SiGe)3 | # generated using pymatgen
data_V10(SiGe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19826358
_cell_length_b 7.19826358
_cell_length_c 4.89553400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999612
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_V10(SiGe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19826358
_cell_length_b 7.19826358
_cell_length_c 4.89553400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.1986861865020007,
2.0779597890483656,
3.599131649283111
],
[
1.1986861865020013,
4.155919578096733,
-2.8143377671278917e-7
],
[
3.6968478134980014,
4.155919578096733,
-2.8143377671278917e-7
],
[
3.6968478134980005,
2.0779597890483656,
3.599131649283111... | [
[
4.895534,
0,
2.997650021608519e-16
],
[
2.3866835417938264e-15,
6.233879367145098,
-3.5991322121506646
],
[
0,
0,
7.19826358
]
] | [
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
14,
14,
14,
32,
32,
32
] | [
1,
1,
1
] | -0.414211 | 0 | 0.049292 | 189 | 189 | [
"Ge",
"Si",
"V"
] |
mp-558285 | mp-558285 | GaBiO3 | # generated using pymatgen
data_GaBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19457600
_cell_length_b 5.49398100
_cell_length_c 10.11700300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GaBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19457600
_cell_length_b 5.49398100
_cell_length_c 10.11700300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5972879999999994,
4.12048575,
3.6067115695000003
],
[
2.5972879999999994,
4.12048575,
8.665213069500002
],
[
2.597288,
1.37349525,
1.4517899305000002
],
[
2.597288,
1.37349525,
6.5102914305
],
[
-8.410232807782968e-17,
1.37349525,
9.006... | [
[
5.194576,
0,
3.1807604356638307e-16
],
[
-3.364093123113187e-16,
5.493981,
3.364093123113187e-16
],
[
0,
0,
10.117003
]
] | [
31,
31,
31,
31,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.963497 | 2.0453 | 0.002006 | 54 | 54 | [
"Bi",
"Ga",
"O"
] |
mp-1018752 | mp-1018752 | LaTeCl | # generated using pymatgen
data_LaTeCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55693400
_cell_length_b 4.55693400
_cell_length_c 8.33663700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaTeCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55693400
_cell_length_b 4.55693400
_cell_length_c 8.33663700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.3951586592564362e-16,
2.278467,
6.322205381868
],
[
2.278467,
0,
2.014431618132
],
[
-1.3951586592564362e-16,
2.278467,
3.016770494553
],
[
2.278467,
0,
5.319866505447
],
[
0,
0,
0
],
[
2.278467,
2.278467,
2.79031731851... | [
[
4.556934,
0,
2.7903173185128724e-16
],
[
-2.7903173185128724e-16,
4.556934,
2.7903173185128724e-16
],
[
0,
0,
8.336637
]
] | [
57,
57,
52,
52,
17,
17
] | [
1,
1,
1
] | -2.31045 | 0.6571 | 0.003183 | 129 | 129 | [
"La",
"Te",
"Cl"
] |
mp-636264 | mp-636264 | La(CuSn)2 | # generated using pymatgen
data_La(CuSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54087100
_cell_length_b 4.54087100
_cell_length_c 10.55881700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_La(CuSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54087100
_cell_length_b 4.54087100
_cell_length_c 10.55881700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.2704355,
0,
8.031162916004
],
[
-1.3902407838727603e-16,
2.2704355,
2.527654083996
],
[
-1.3902407838727603e-16,
2.2704355,
6.685937953753
],
[
2.2704355,
0,
3.8728790462469997
],
[
0,
0,
0
],
[
2.2704355,
2.2704355,
2.7... | [
[
4.540871,
0,
2.7804815677455206e-16
],
[
-2.7804815677455206e-16,
4.540871,
2.7804815677455206e-16
],
[
0,
0,
10.558817
]
] | [
57,
57,
29,
29,
29,
29,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.465764 | 0 | 0 | 129 | 129 | [
"Cu",
"La",
"Sn"
] |
mp-1517934 | mp-1517934 | KEu(WO3)4 | # generated using pymatgen
data_KEu(WO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57471937
_cell_length_b 5.57471937
_cell_length_c 7.86550363
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.70604083
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_KEu(WO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83511914
_cell_length_b 7.93226905
_cell_length_c 7.86550363
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.470420455338421,
0.10302152088203324,
3.9327518150000005
],
[
2.83411510739984,
2.707038900500249,
3.4135311163076245e-16
],
[
-0.02891054319746253,
2.7912266585837635,
5.878284216535537
],
[
-0.02891054319746253,
2.7912266585837635,
1.987219413464463
... | [
[
5.5747193699999995,
0,
3.4135311163076245e-16
],
[
-0.0686940628477989,
5.5742961152043815,
3.413531116307625e-16
],
[
0,
0,
7.86550363
]
] | [
19,
63,
74,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.272299 | 0 | 0.061658 | 38 | 38 | [
"Eu",
"K",
"O",
"W"
] |
mp-867963 | mp-867963 | Pu(SiPt)2 | # generated using pymatgen
data_Pu(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20218700
_cell_length_b 4.20218700
_cell_length_c 9.86390500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pu(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20218700
_cell_length_b 4.20218700
_cell_length_c 9.86390500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.2865487147421549e-16,
2.1010935,
2.5126917040800003
],
[
2.1010935,
0,
7.351213295920001
],
[
2.1010935,
0,
1.3311537075600002
],
[
0,
0,
4.9319525
],
[
2.1010935,
2.1010935,
4.9319525
],
[
-1.2865487147421549e-16,
2.101093... | [
[
4.202187,
0,
2.5730974294843097e-16
],
[
-2.5730974294843097e-16,
4.202187,
2.5730974294843097e-16
],
[
0,
0,
9.863905
]
] | [
94,
94,
14,
14,
14,
14,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.903135 | 0 | 0 | 129 | 129 | [
"Pt",
"Pu",
"Si"
] |
mp-1183773 | mp-1183773 | DyCdPt2 | # generated using pymatgen
data_DyCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80674926
_cell_length_b 4.80674926
_cell_length_c 4.80674926
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79776999
_cell_length_b 6.79776999
_cell_length_c 6.79776999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.7751779791880344,
1.9623471680834386,
4.80674926
],
[
1.3875889895940168,
0.9811735840417184,
2.4033746300000005
],
[
4.162766968782051,
2.943520752125158,
7.210123890000001
]
] | [
[
4.162766968782051,
0,
2.4033746300000005
],
[
1.3875889895940172,
3.924694336166877,
2.4033746300000005
],
[
0,
0,
4.80674926
]
] | [
66,
48,
78,
78
] | [
1,
1,
1
] | -0.824347 | 0 | 0.011717 | 225 | 225 | [
"Cd",
"Dy",
"Pt"
] |
mp-1106085 | mp-1106085 | Nb2PdS5 | # generated using pymatgen
data_Nb2PdS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49739753
_cell_length_b 6.49739753
_cell_length_c 15.39488908
_cell_angle_alpha 77.42932559
_cell_angle_beta 77.42932559
_cell_angle_gamma 29.50297145
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Nb2PdS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.56647799
_cell_length_b 3.30882600
_cell_length_c 15.39488908
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.00651818
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.9389780219147756,
0.17211452534629365,
12.816036008091828
],
[
2.87031517218145,
6.003062187709616,
4.22419424766158
],
[
0.607819659228128,
0.43074327644250177,
9.744517400387432
],
[
4.201473534868097,
5.744433436613407,
7.295712855365978
],
[
... | [
[
3.289556143238438,
0,
0.3565808041525782
],
[
1.5197370508577877,
6.175176713055909,
1.331828262814764
],
[
0,
0,
15.351821188786067
]
] | [
41,
41,
41,
41,
46,
46,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.177561 | 0 | 0 | 12 | 12 | [
"Nb",
"Pd",
"S"
] |
mp-1183797 | mp-1183797 | Ce2Si5Ni3 | # generated using pymatgen
data_Ce2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95696805
_cell_length_b 7.95696805
_cell_length_c 7.95696805
_cell_angle_alpha 137.71617026
_cell_angle_beta 106.11422761
_cell_angle_gamma 89.00447986
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ce2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73982600
_cell_length_b 9.56457200
_cell_length_c 11.35018600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.777758263157185,
4.624262296634816,
3.5590045896121403
],
[
2.7987085770375884,
2.689715238572486,
8.676681537018752
],
[
6.641058439845293,
6.524755475293222,
6.697615410277022
],
[
0.9354084003494813,
0.7892220599140788,
5.538070716353871
],
[
... | [
[
5.353477902045065,
0,
2.070235941862867
],
[
2.222988938149708,
7.313977535207302,
2.208482135781893
],
[
0,
0,
7.956968048986133
]
] | [
58,
58,
58,
58,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.744569 | 0 | 0 | 72 | 72 | [
"Ce",
"Ni",
"Si"
] |
mp-1110635 | mp-1110635 | Na3MoF6 | # generated using pymatgen
data_Na3MoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00908700
_cell_length_b 6.00908725
_cell_length_c 6.00908726
_cell_angle_alpha 59.99999729
_cell_angle_beta 59.99999592
_cell_angle_gamma 59.99999589
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na3MoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.49813234
_cell_length_b 8.49813234
_cell_length_c 8.49813234
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.204021993825774,
3.6797992509841624,
9.013630502124656
],
[
1.7346739979419272,
1.2265997503280541,
3.00454350070822
],
[
3.4693479958838487,
2.4531995006561087,
6.009087001416438
],
[
0,
0,
0
],
[
2.575345475999052,
3.717509833708248,
... | [
[
5.204022211566497,
0,
3.0045436258498746
],
[
1.7346737802012027,
4.9063990013122165,
3.004543625283286
],
[
0,
0,
6.009086751699715
]
] | [
11,
11,
11,
42,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.808908 | 2.6015 | 0.060759 | 225 | 225 | [
"F",
"Mo",
"Na"
] |
mp-38394 | mp-38394 | Ba(AlTe2)2 | # generated using pymatgen
data_Ba(AlTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01022928
_cell_length_b 7.01022928
_cell_length_c 7.01022928
_cell_angle_alpha 103.34291891
_cell_angle_beta 103.34291891
_cell_angle_gamma 122.57768842
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba(AlTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69506600
_cell_length_b 8.69506600
_cell_length_c 6.73534800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
4.430441085202871,
3.074170066315596,
5.931831596667213
],
[
7.384068475178584,
3.0741700663155966,
7.54964290102464
],
[
4.919987103327006,
3.0741700663155966,
8.54318531171231
],
[
2.953624436427649,
1.0190566352829578,
5.1... | [
[
5.907254779951426,
0,
3.2356226087148525
],
[
2.953627390454316,
6.148340132631193,
1.6178113046195746
],
[
0,
0,
7.01022928
]
] | [
56,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.131517 | 1.9531 | 0.008977 | 97 | 97 | [
"Ba",
"Al",
"Te"
] |
mp-752415 | mp-752415 | NbO2F | # generated using pymatgen
data_NbO2F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64564091
_cell_length_b 5.64564091
_cell_length_c 4.00757000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.41495486
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NbO2F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81412000
_cell_length_b 8.15061800
_cell_length_c 4.00757000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
-1.6530065204871923e-16,
2.6995645138468984,
2.8298255505153755
],
[
-1.8896220115182193e-18,
0.030859869357170673,
5.613452127816099
],
[
2.0037849999999997,
5.639086933437427,
-0.23628097747324894
],
[
-8.737127255414149e-17,
1.4268811646749548,
4.1573... | [
[
4.00757,
0,
2.4539288864294793e-16
],
[
-3.453887792941377e-16,
5.640626824560532,
-0.23788718064199435
],
[
0,
0,
5.64564091
]
] | [
41,
41,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | -3.106661 | 1.7144 | 0.061532 | 38 | 38 | [
"Nb",
"O",
"F"
] |
mp-1103851 | mp-1103851 | Ce3Pd4 | # generated using pymatgen
data_Ce3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05971305
_cell_length_b 8.05971305
_cell_length_c 8.05971297
_cell_angle_alpha 114.48512457
_cell_angle_beta 114.48512457
_cell_angle_gamma 114.48512306
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ce3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.55593402
_cell_length_b 13.55593402
_cell_length_c 5.77414271
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.8825910224835466,
5.938251465384754,
-1.2535628916968409
],
[
1.2043894901701722,
2.5721029254103702,
-0.8269260880878809
],
[
-1.946478354126617,
5.045579652687388,
2.48003364790464
],
[
3.686130812485379,
0.8397155563565024,
4.593967187115386
],
... | [
[
5.60708000080919,
0,
-1.3789046193136112
],
[
-2.803540210807357,
6.777967021741256,
-3.3404041352678417
],
[
0,
0,
8.05971305
]
] | [
58,
58,
58,
58,
58,
58,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.73113 | 0 | 0 | 148 | 148 | [
"Ce",
"Pd"
] |
mp-753660 | mp-753660 | Li2VCrP2(HO5)2 | # generated using pymatgen
data_Li2VCrP2(HO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42692370
_cell_length_b 7.39666929
_cell_length_c 5.16594288
_cell_angle_alpha 109.02707665
_cell_angle_beta 97.88693187
_cell_angle_gamma 106.64675473
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_Li2VCrP2(HO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16594288
_cell_length_b 5.42692370
_cell_length_c 7.39666929
_cell_angle_alpha 106.64675473
_cell_angle_beta 109.02707665
_cell_angle_gamma 97.88693187
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
3.124007933549608,
1.9965911921126818,
4.214840821801888
],
[
0.4358577969677591,
3.031529215640524,
-0.05699449014394109
],
[
3.5598537271058435,
5.028110351512391,
0.4594976584786496
],
[
3.5598319562951257,
5.0281002952715745,
4.157799453640684
],
... | [
[
4.8836995972270865,
0,
-1.6841746000538926
],
[
-1.3238436341089135,
5.028120407753206,
-1.5546523866082511
],
[
0,
0,
7.396669290000001
]
] | [
3,
3,
23,
24,
15,
15,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.46777 | 2.17 | 0.047581 | 2 | 2 | [
"Cr",
"H",
"Li",
"O",
"P",
"V"
] |
mp-6961 | mp-6961 | Sr(SbPd)2 | # generated using pymatgen
data_Sr(SbPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45518992
_cell_length_b 6.45518992
_cell_length_c 6.45518992
_cell_angle_alpha 137.37806270
_cell_angle_beta 137.37806270
_cell_angle_gamma 61.85687218
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sr(SbPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69201400
_cell_length_b 4.69201400
_cell_length_c 11.07465200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
1.3634966328993678,
1.589509037894716,
3.4952107909159955
],
[
2.3424729769858734,
2.730759928629753,
-0.4504542800005074
],
[
3.1120833614223136,
1.0800672416311174,
1.5223782555707845
],
[
0.5938862484629275,
3.2402017248933515... | [
[
4.371181917902007,
0,
-1.7052167043161748
],
[
-0.6652123080167656,
4.320268966524469,
-1.705216704768337
],
[
0,
0,
6.45518992
]
] | [
38,
51,
51,
46,
46
] | [
1,
1,
1
] | -0.828484 | 0 | 0.027659 | 139 | 139 | [
"Sr",
"Sb",
"Pd"
] |
mp-22700 | mp-22700 | V3Se4 | # generated using pymatgen
data_V3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89520660
_cell_length_b 6.89520660
_cell_length_c 6.18646296
_cell_angle_alpha 64.91150514
_cell_angle_beta 64.91150514
_cell_angle_gamma 28.58840264
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_V3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.36347199
_cell_length_b 3.40486600
_cell_length_c 6.18646296
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.94857341
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.6261584058583458,
1.797742885626466,
2.457556427953065
],
[
2.004940732216667,
3.7650451122151423,
0.9738165385932661
],
[
0,
0,
0
],
[
1.4608372691381122,
5.450703382473098,
-1.1616893504113253
],
[
1.1702618689369,
0.11208461536851115,
... | [
[
3.299453813180199,
0,
-0.8406646196868569
],
[
-0.6683546751051871,
5.562787997841609,
-2.623169013766811
],
[
0,
0,
6.895206599999999
]
] | [
23,
23,
23,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.997272 | 0 | 0 | 12 | 12 | [
"V",
"Se"
] |
mp-1113536 | mp-1113536 | Cs2TlAuCl6 | # generated using pymatgen
data_Cs2TlAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63707143
_cell_length_b 7.63707143
_cell_length_c 7.63707143
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2TlAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.80044999
_cell_length_b 10.80044999
_cell_length_c 10.80044999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2046326229654496,
1.5589106777239543,
3.818535715
],
[
6.613897868896349,
4.676732033171865,
11.455607145
],
[
0,
0,
0
],
[
4.409265245930899,
3.117821355447909,
7.637071430000001
],
[
3.3485988539612377,
4.617830152124743,
5.7999433492... | [
[
6.613897868896351,
0,
3.8185357149999994
],
[
2.2046326229654487,
6.23564271089582,
3.818535714999999
],
[
0,
0,
7.63707143
]
] | [
55,
55,
81,
79,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.497201 | 0 | 0.051128 | 225 | 225 | [
"Au",
"Cl",
"Cs",
"Tl"
] |
mp-1215844 | mp-1215844 | YVFe11 | # generated using pymatgen
data_YVFe11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68596500
_cell_length_b 6.42629988
_cell_length_c 6.42629988
_cell_angle_alpha 97.88474497
_cell_angle_beta 111.38252825
_cell_angle_gamma 68.61747175
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YVFe11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68596500
_cell_length_b 8.44181599
_cell_length_c 8.48332399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1811823111083197,
5.95324316013724,
0.85557882033917
],
[
0.8099945114614072,
2.2107708560391197,
4.357580562596551
],
[
6.552546551954156,
5.981235781856185,
5.756390886504083
],
[
4.37118306393983,
5.981235781856185,
4.902291499819337
],
[
3.... | [
[
4.363416395819192,
0,
1.7084687114258956
],
[
2.1924096408792626,
5.983886643639317,
0.826904317525723
],
[
0,
0,
6.426299516402295
]
] | [
39,
23,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.056639 | 0 | 0.002487 | 44 | 44 | [
"Fe",
"V",
"Y"
] |
mp-1187096 | mp-1187096 | Sr2ZnHg | # generated using pymatgen
data_Sr2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62196702
_cell_length_b 5.62196702
_cell_length_c 5.62196702
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95066201
_cell_length_b 7.95066201
_cell_length_c 7.95066201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.8687662585582965,
3.4427376374388268,
8.43295053
],
[
1.6229220861860985,
1.1475792124796078,
2.810983509999999
],
[
0,
0,
0
],
[
3.2458441723721974,
2.2951584249592174,
5.621967019999998
]
] | [
[
4.868766258558297,
0,
2.8109835099999994
],
[
1.6229220861860976,
4.590316849918436,
2.81098351
],
[
0,
0,
5.621967019999999
]
] | [
38,
38,
30,
80
] | [
1,
1,
1
] | -0.356025 | 0 | 0.013512 | 225 | 225 | [
"Hg",
"Sr",
"Zn"
] |
mp-2823 | mp-2823 | NdP | # generated using pymatgen
data_NdP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16818659
_cell_length_b 4.16818659
_cell_length_c 4.16818659
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdP... | # generated using pymatgen
data_NdP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89470601
_cell_length_b 5.89470601
_cell_length_c 5.89470601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdP... | [
[
0,
0,
0
],
[
2.406503649769088,
1.7016550497018992,
4.1681865899999995
]
] | [
[
3.609755474653633,
0,
2.0840932949999997
],
[
1.2032518248845436,
3.4033100994037984,
2.0840932949999997
],
[
0,
0,
4.16818659
]
] | [
60,
15
] | [
1,
1,
1
] | -1.532385 | 0 | 0 | 225 | 225 | [
"Nd",
"P"
] |
mp-754169 | mp-754169 | Li3Co4SnO8 | # generated using pymatgen
data_Li3Co4SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01339866
_cell_length_b 6.01339866
_cell_length_c 6.09163384
_cell_angle_alpha 60.07872765
_cell_angle_beta 60.07872765
_cell_angle_gamma 60.55986273
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li3Co4SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.38600801
_cell_length_b 6.06421400
_cell_length_c 6.09163384
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.28274885
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.6195032006222028,
7.601254522178207e-17,
4.584140355204107
],
[
2.619503200622203,
0,
1.5540925622652997
],
[
3.519555033880655,
2.466178480291591,
3.067056550035038
],
[
-1.7194513673637513,
2.466178480291591,
2.9889192184432454
],
[
0,
0,... | [
[
5.239006401244406,
0,
-2.951910461347014
],
[
-3.4389027347275025,
4.932356960583182,
-0.08225714899112299
],
[
0,
0,
6.0600955858776135
]
] | [
3,
3,
3,
27,
27,
27,
27,
50,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.697257 | 0.0918 | 0.056625 | 12 | 12 | [
"Co",
"Li",
"O",
"Sn"
] |
mp-308 | mp-308 | U3O8 | # generated using pymatgen
data_U3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83896575
_cell_length_b 6.83896575
_cell_length_c 4.16068900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999756
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | # generated using pymatgen
data_U3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83896575
_cell_length_b 6.83896575
_cell_length_c 4.16068900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
2.2675533592466143e-15,
5.922718220733905,
-1.0175904830648248
],
[
4.1606890000000005,
2.0801000981492925,
-1.2009464106633367
],
[
4.160689000000001,
3.842618122584612,
2.218536389278012
],
[
2.080344500000002,
5.922718220733905,
-0.9729730705118249
... | [
[
4.160689,
0,
2.547687233048801e-16
],
[
2.2675533592466143e-15,
5.922718220733905,
-3.419483127225075
],
[
0,
0,
6.83896575
]
] | [
92,
92,
92,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.706795 | 0.0346 | 0 | 189 | 189 | [
"O",
"U"
] |
mp-862992 | mp-862992 | Er2NiIr | # generated using pymatgen
data_Er2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76241367
_cell_length_b 4.76241367
_cell_length_c 4.76241367
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Er2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73507000
_cell_length_b 6.73507000
_cell_length_c 6.73507000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.12437122155028,
2.9163708588888477,
7.143620505
],
[
1.374790407183427,
0.9721236196296164,
2.3812068350000004
],
[
0,
0,
0
],
[
2.749580814366854,
1.9442472392592318,
4.762413670000001
]
] | [
[
4.12437122155028,
0,
2.3812068350000004
],
[
1.374790407183427,
3.8884944785184636,
2.3812068350000004
],
[
0,
0,
4.76241367
]
] | [
68,
68,
28,
77
] | [
1,
1,
1
] | -0.708696 | 0 | 0.016456 | 225 | 225 | [
"Er",
"Ir",
"Ni"
] |
mp-21163 | mp-21163 | SiPt3 | # generated using pymatgen
data_SiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56543300
_cell_length_b 5.67757200
_cell_length_c 7.68494600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56543300
_cell_length_b 5.67757200
_cell_length_c 7.68494600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
2.821318343288,
0.46361349680399994,
5.7637095
],
[
0.03860184328799986,
2.375172503196,
1.9212365000000002
],
[
5.526831156711999,
3.3023994968039996,
5.763709500000001
],
[
2.744114656711999,
5.213958503195999,
1.9212365000000005
],
[
1.7167357... | [
[
5.565433,
0,
3.4078448546595255e-16
],
[
-3.476510188364318e-16,
5.677572,
3.476510188364318e-16
],
[
0,
0,
7.684946
]
] | [
14,
14,
14,
14,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.482828 | 0 | 0.052453 | 62 | 62 | [
"Si",
"Pt"
] |
mp-865779 | mp-865779 | Ga2CoRu | # generated using pymatgen
data_Ga2CoRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19409074
_cell_length_b 4.19409074
_cell_length_c 4.19409074
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ga2CoRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93134001
_cell_length_b 5.93134001
_cell_length_c 5.93134001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2107297088723585,
0.8561151873276596,
2.097045370000001
],
[
3.6321891266170745,
2.568345561982977,
6.29113611
],
[
0,
0,
0
],
[
2.4214594177447157,
1.7122303746553182,
4.194090740000001
]
] | [
[
3.632189126617075,
0,
2.0970453700000005
],
[
1.210729708872358,
3.424460749310635,
2.09704537
],
[
0,
0,
4.194090739999999
]
] | [
31,
31,
27,
44
] | [
1,
1,
1
] | -0.305949 | 0 | 0.004091 | 225 | 225 | [
"Ga",
"Co",
"Ru"
] |
mp-980660 | mp-980660 | Tm3Mg | # generated using pymatgen
data_Tm3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91639545
_cell_length_b 6.91639545
_cell_length_c 5.49808000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999471
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tm3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91639545
_cell_length_b 6.91639545
_cell_length_c 5.49808000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.123560000000001,
4.979071915129824,
-1.7076100815441773
],
[
4.123560000000001,
4.979071915129825,
1.7076091621295224
],
[
4.12356,
2.0214051329548957,
-1.8663212083701576e-7
],
[
1.3745200000000015,
3.968369348652377,
3.458197358608733
],
[
1.... | [
[
5.49808,
0,
3.3666030367280397e-16
],
[
2.2932263093913e-15,
5.989774481607272,
-3.4581982780233886
],
[
0,
0,
6.9163954500000004
]
] | [
69,
69,
69,
69,
69,
69,
12,
12
] | [
1,
1,
1
] | 0.009721 | 0 | 0.040068 | 194 | 194 | [
"Mg",
"Tm"
] |
mp-1212518 | mp-1212518 | GdTiClO3 | # generated using pymatgen
data_GdTiClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28953022
_cell_length_b 5.28953022
_cell_length_c 10.10102218
_cell_angle_alpha 74.54845015
_cell_angle_beta 74.54845015
_cell_angle_gamma 43.79000342
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_GdTiClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.81597999
_cell_length_b 3.94500400
_cell_length_c 10.10102218
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.68649829
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.4904425771022598,
1.1241043118647964,
2.609944773012241
],
[
4.1173958548320115,
3.681526440739991,
9.602947855504743
],
[
4.806648368835359,
3.8745013492415894,
6.149958611369583
],
[
0.8011900630989133,
0.9311294033631983,
6.062934017147402
],
[
... | [
[
3.868684278395001,
0,
0.7722295600248331
],
[
1.7391541535392705,
4.805630752604787,
1.3639596211543403
],
[
0,
0,
10.076703447337811
]
] | [
64,
64,
22,
22,
17,
17,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.511845 | 3.031 | 0 | 12 | 12 | [
"Cl",
"Gd",
"O",
"Ti"
] |
mp-9223 | mp-9223 | ScGeRu | # generated using pymatgen
data_ScGeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00162242
_cell_length_b 7.00162242
_cell_length_c 3.48409200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000393
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ScGeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00162242
_cell_length_b 7.00162242
_cell_length_c 3.48409200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3904019315512594e-15,
3.6316494253869696,
4.904888812717189
],
[
9.310823395986273e-16,
2.4319332179140107,
1.4040775204269247
],
[
3.484092,
2.711530340602052e-16,
4.19346771276576
],
[
1.7420460000000006,
2.021194214433661,
3.500811348636625
],
[... | [
[
3.484092,
0,
2.13339105786745e-16
],
[
2.321484271149887e-15,
6.063582643300982,
-3.500810794090128
],
[
0,
0,
7.00162242
]
] | [
21,
21,
21,
32,
32,
32,
44,
44,
44
] | [
1,
1,
1
] | -0.794044 | 0 | 0 | 189 | 189 | [
"Sc",
"Ge",
"Ru"
] |
mp-698 | mp-698 | U3O8 | # generated using pymatgen
data_U3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78036219
_cell_length_b 6.78036219
_cell_length_c 4.16025100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.69923444
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | # generated using pymatgen
data_U3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01477401
_cell_length_b 11.60543801
_cell_length_c 4.16025100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
4.160251,
4.090147845815869,
0.013507372526160027
],
[
4.160251,
1.9131837298562064,
3.615137599809756
],
[
0,
0,
0
],
[
4.160251,
1.9926978565759834,
-0.7907463361585645
],
[
4.160251,
4.010633719096092,
4.419391308494481
],
[
-1... | [
[
4.160251,
0,
2.5474190353997873e-16
],
[
-3.675980399183522e-16,
6.0033315756720755,
-3.1517172176640837
],
[
0,
0,
6.78036219
]
] | [
92,
92,
92,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.703976 | 0 | 0.002819 | 65 | 65 | [
"O",
"U"
] |
mp-22469 | mp-22469 | InNi3 | # generated using pymatgen
data_InNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35252061
_cell_length_b 5.35252061
_cell_length_c 4.21127500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000755
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_InNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35252061
_cell_length_b 5.35252061
_cell_length_c 4.21127500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.158456250000001,
3.0902789799217385,
4.07213365223867e-7
],
[
1.0528187500000006,
1.5451394899608693,
2.676260508606682
],
[
3.15845625,
0.7246827819075674,
1.2551875886206032
],
[
3.15845625,
0.7246827819075674,
4.097333212365723
],
[
3.158456... | [
[
4.211275,
0,
2.578662224539635e-16
],
[
1.7747018060220404e-15,
4.635418469882607,
-2.6762596941799512
],
[
0,
0,
5.352520609999999
]
] | [
49,
49,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.063696 | 0 | 0.023681 | 194 | 194 | [
"In",
"Ni"
] |
mp-568771 | mp-568771 | Sr3(B3Rh4)2 | # generated using pymatgen
data_Sr3(B3Rh4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.96744350
_cell_length_b 9.05473510
_cell_length_c 5.75956400
_cell_angle_alpha 81.28112162
_cell_angle_beta 63.88771274
_cell_angle_gamma 34.83116564
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sr3(B3Rh4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62332200
_cell_length_b 10.05328600
_cell_length_c 17.21427200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
3.6531809014079575,
0,
6.926249732142699
],
[
2.6726732882042086,
0,
0.8730722090210792
],
[
1.6921656750004608,
0,
3.8746297826737885
],
[
0.9044433305535473,
1.6560576966034368,
6.286027647614001
],
[
7.113576531424707,
3.370585304596836,
... | [
[
5.345346576408417,
0,
1.7461444180421584
],
[
2.6726732855698354,
5.026643001200273,
0.8730722050961873
],
[
0,
0,
9.054735096774332
]
] | [
38,
38,
38,
5,
5,
5,
5,
5,
5,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.553148 | 0 | 0 | 69 | 69 | [
"B",
"Rh",
"Sr"
] |
mp-1185955 | mp-1185955 | MgPb2 | # generated using pymatgen
data_MgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49982717
_cell_length_b 3.49982717
_cell_length_c 15.98595200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998433
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49982717
_cell_length_b 3.49982717
_cell_length_c 15.98595200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7499139994704584,
1.0103129995934435,
3.9964880000000007
],
[
-1.1103503309825262e-16,
2.020625999186887,
11.989464
],
[
-1.1103503309825262e-16,
2.020625999186887,
6.484189878336001
],
[
-1.1103503309825262e-16,
2.020625999186887,
1.508786121664
],
... | [
[
3.499827998940916,
0,
9.914205831538625e-16
],
[
-1.7499139994704582,
3.030938998780331,
2.14302607065472e-16
],
[
0,
0,
15.985952
]
] | [
12,
12,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.008136 | 0 | 0.020077 | 194 | 194 | [
"Mg",
"Pb"
] |
mp-754935 | mp-754935 | Li2V3CrO8 | # generated using pymatgen
data_Li2V3CrO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42832356
_cell_length_b 6.42832356
_cell_length_c 6.49447562
_cell_angle_alpha 73.62816269
_cell_angle_beta 73.62816269
_cell_angle_gamma 36.55047158
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li2V3CrO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.20817201
_cell_length_b 4.03161400
_cell_length_c 6.49447562
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.26804193
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.0396964277784554e-15,
0.6703996111097306,
2.070184185422826
],
[
2.0158070009808475,
5.1779993751907805,
2.591689838967324
],
[
1.4437200355380983e-15,
4.538738034196759,
0.409843461432797
],
[
2.015807000980846,
1.272052543495261,
4.271923792561862
... | [
[
4.0316140019616915,
0,
2.468651591450018e-16
],
[
-2.0158070009808444,
5.828953597100585,
-1.8119508518985363
],
[
0,
0,
6.49447562
]
] | [
3,
3,
23,
23,
23,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.418442 | 1.4482 | 0.070551 | 8 | 8 | [
"Cr",
"Li",
"O",
"V"
] |
mp-31324 | mp-31324 | Li2In | # generated using pymatgen
data_Li2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54181704
_cell_length_b 5.54181704
_cell_length_c 4.73428000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 129.66706148
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71331200
_cell_length_b 10.03153201
_cell_length_c 4.73428000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0343584737001856,
1.18357,
2.2014668514726248
],
[
3.23154744370926,
3.55071,
1.3360157009430682
],
[
2.5141500455785124,
1.18357,
-0.1908501115134794
],
[
1.7517558718309325,
3.55071,
3.7283326639291734
],
[
3.8852804619285863,
1.18357,
... | [
[
4.265905917409444,
0,
-2.0043344875843063
],
[
1.8125516219955877e-15,
4.73428,
2.898910424133666e-16
],
[
0,
0,
5.54181704
]
] | [
3,
3,
3,
3,
49,
49
] | [
1,
1,
1
] | -0.285946 | 0 | 0 | 63 | 63 | [
"Li",
"In"
] |
mp-569318 | mp-569318 | PuNi4 | # generated using pymatgen
data_PuNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87742776
_cell_length_b 4.87282848
_cell_length_c 10.12971326
_cell_angle_alpha 85.37127266
_cell_angle_beta 80.72082184
_cell_angle_gamma 59.96877905
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PuNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87742776
_cell_length_b 8.43733001
_cell_length_c 10.12971326
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.27917816
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.3008137669315259,
0.5272693315414737,
3.509144734143832
],
[
0,
0,
0
],
[
2.084514652159156,
3.653757799863439,
5.834106820778942
],
[
-1.0761725122463812,
2.3792302132344916,
1.7632040490779808
],
[
2.5957722202407103,
0.2843391121254538,
... | [
[
4.856935956993276,
0,
-0.3932308547976887
],
[
-2.471607537902594,
4.181027131404914,
-0.39323085027953925
],
[
0,
0,
10.12971326
]
] | [
94,
94,
94,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.212184 | 0 | 0.009194 | 12 | 12 | [
"Ni",
"Pu"
] |
mp-864668 | mp-864668 | NdSnAu2 | # generated using pymatgen
data_NdSnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08436080
_cell_length_b 5.08436080
_cell_length_c 5.08436080
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdSnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19037200
_cell_length_b 7.19037200
_cell_length_c 7.19037200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9354570765371824,
2.075681604701479,
5.084360800000001
],
[
0,
0,
0
],
[
1.4677285382685907,
1.03784080235074,
2.5421804000000003
],
[
4.403185614805773,
3.1135224070522183,
7.626541200000001
]
] | [
[
4.403185614805772,
0,
2.542180400000001
],
[
1.4677285382685905,
4.151363209402958,
2.5421804000000003
],
[
0,
0,
5.0843608
]
] | [
60,
50,
79,
79
] | [
1,
1,
1
] | -0.693675 | 0 | 0 | 225 | 225 | [
"Nd",
"Sn",
"Au"
] |
mp-6514 | mp-6514 | NaLaTiO4 | # generated using pymatgen
data_NaLaTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78824400
_cell_length_b 3.78824400
_cell_length_c 13.21042100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_NaLaTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78824400
_cell_length_b 3.78824400
_cell_length_c 13.21042100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.894122,
0,
7.705731042247001
],
[
-1.1598152222472914e-16,
1.894122,
5.5046899577529995
],
[
-1.1598152222472914e-16,
1.894122,
1.4424987106740002
],
[
1.894122,
0,
11.767922289326
],
[
1.894122,
0,
3.632363779002
],
[
-1.159815... | [
[
3.788244,
0,
2.319630444494583e-16
],
[
-2.319630444494583e-16,
3.788244,
2.319630444494583e-16
],
[
0,
0,
13.210421
]
] | [
11,
11,
57,
57,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.374857 | 2.4259 | 0.009045 | 129 | 129 | [
"La",
"Na",
"O",
"Ti"
] |
mp-1189370 | mp-1189370 | Ce2Zn2Sn2H3 | # generated using pymatgen
data_Ce2Zn2Sn2H3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40305879
_cell_length_b 4.40305879
_cell_length_c 17.99014500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001194
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ce2Zn2Sn2H3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40305879
_cell_length_b 4.40305879
_cell_length_c 17.99014500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0,
0,
8.984008560824998
],
[
0,
0,
17.979081060825
],
[
0,
0,
13.468717837439998
],
[
0,
0,
4.47364533744
],
[
2.2015289976832935,
1.2710536652957505,
11.097454815134999
],
[
-1.491614222384145e-17,
2.542107330591502,
2.10... | [
[
4.403057995366586,
0,
1.2472848170674665e-15
],
[
-2.201528997683293,
3.8131609958872525,
2.696095926815559e-16
],
[
0,
0,
17.990145
]
] | [
58,
58,
58,
58,
30,
30,
30,
30,
50,
50,
50,
50,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.445909 | 0 | 0.058523 | 186 | 186 | [
"Ce",
"H",
"Sn",
"Zn"
] |
mp-1184866 | mp-1184866 | HoMg5 | # generated using pymatgen
data_HoMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23100890
_cell_length_b 6.23100890
_cell_length_c 7.02470818
_cell_angle_alpha 73.19875501
_cell_angle_beta 73.19875501
_cell_angle_gamma 34.41286999
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_HoMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.90428200
_cell_length_b 3.68645600
_cell_length_c 7.02470818
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.61354392
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8432279992173766,
6.298405861862719e-16,
3.51235409
],
[
1.8432279992173755,
3.7165497020789178,
3.5759559517811863
],
[
-1.416326258466019e-15,
1.9438195207900197,
5.309512255529574
],
[
1.8432279992173766,
6.298405861862719e-16,
7.02470818
],
[
... | [
[
3.6864559984347536,
0,
2.2573032693403407e-16
],
[
-1.8432279992173786,
5.673099658502617,
-1.8010893146864762
],
[
0,
0,
7.02470818
]
] | [
67,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | -0.003302 | 0 | 0.048336 | 12 | 12 | [
"Ho",
"Mg"
] |
mp-567427 | mp-567427 | Yb(GeRh)2 | # generated using pymatgen
data_Yb(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96968973
_cell_length_b 5.96968973
_cell_length_c 5.96968973
_cell_angle_alpha 139.14562011
_cell_angle_beta 139.14562011
_cell_angle_gamma 59.15288024
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Yb(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16704400
_cell_length_b 4.16704400
_cell_length_c 10.38365400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
1.262902429015946,
1.4521161158512828,
3.3909160431877035
],
[
2.1004426108411636,
2.4151403113539227,
-0.32996303120335413
],
[
2.7933390376091065,
0.9668141068013014,
1.5304765059152052
],
[
0.5700060022480035,
2.90044232040390... | [
[
3.9050055552896583,
0,
-1.4543683591617642
],
[
-0.541660515432548,
3.867256427205207,
-1.4543683588538858
],
[
0,
0,
5.96968973
]
] | [
70,
32,
32,
45,
45
] | [
1,
1,
1
] | -0.870365 | 0 | 0 | 139 | 139 | [
"Ge",
"Rh",
"Yb"
] |
mp-1221252 | mp-1221252 | Na2TlHg | # generated using pymatgen
data_Na2TlHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35491965
_cell_length_b 5.35491965
_cell_length_c 5.35491965
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2TlHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57299999
_cell_length_b 7.57299999
_cell_length_c 7.57299999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5458321507081565,
1.0930683963419245,
2.6774598249999984
],
[
3.0916643014163165,
2.186136792683848,
5.35491965
],
[
0,
0,
0
],
[
4.637496452124474,
3.279205189025772,
8.032379475
]
] | [
[
4.637496452124475,
0,
2.6774598250000006
],
[
1.5458321507081576,
4.372273585367696,
2.6774598250000006
],
[
0,
0,
5.35491965
]
] | [
11,
11,
81,
80
] | [
1,
1,
1
] | -0.180151 | 0 | 0 | 216 | 216 | [
"Hg",
"Na",
"Tl"
] |
mp-1187420 | mp-1187420 | Ti2MoOs | # generated using pymatgen
data_Ti2MoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42180882
_cell_length_b 4.42180882
_cell_length_c 4.42180882
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ti2MoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25338200
_cell_length_b 6.25338200
_cell_length_c 6.25338200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8293987687980917,
2.7077938372845467,
6.6327132299999985
],
[
1.2764662562660305,
0.902597945761516,
2.210904409999999
],
[
2.552932512532062,
1.805195891523031,
4.42180882
],
[
0,
0,
0
]
] | [
[
3.829398768798092,
0,
2.2109044099999995
],
[
1.2764662562660296,
3.610391783046062,
2.21090441
],
[
0,
0,
4.421808819999999
]
] | [
22,
22,
42,
76
] | [
1,
1,
1
] | -0.407643 | 0 | 0 | 225 | 225 | [
"Mo",
"Os",
"Ti"
] |
mp-1246000 | mp-1246000 | LiMnN2 | # generated using pymatgen
data_LiMnN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29245099
_cell_length_b 4.56138096
_cell_length_c 8.39212395
_cell_angle_alpha 89.99999744
_cell_angle_beta 142.45163320
_cell_angle_gamma 115.52677411
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiMnN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56138065
_cell_length_b 4.56138065
_cell_length_c 8.39212395
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.3250088046775876,
3.0057390490018334,
0.680576747084704
],
[
1.5887114115125782,
2.003826032667889,
-1.9656487145749793
],
[
2.8524140183475692,
1.0019130163339447,
0.6805768137653374
],
[
0,
0,
0
],
[
2.715962279881471,
3.7811435782550653,... | [
[
4.11611662518256,
0,
-1.9656486478943458
],
[
-0.9386938021574032,
4.007652065335778,
-1.9656487812556127
],
[
0,
0,
5.29245099
]
] | [
3,
3,
25,
25,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.518762 | 0 | 0.015939 | 122 | 122 | [
"Li",
"Mn",
"N"
] |
mp-19852 | mp-19852 | Ba2UMnO6 | # generated using pymatgen
data_Ba2UMnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06373339
_cell_length_b 6.06373339
_cell_length_c 6.06373339
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ba2UMnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57541400
_cell_length_b 8.57541400
_cell_length_c 8.57541400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7504490525053111,
1.2377543951480734,
3.0318666950000015
],
[
5.251347157515933,
3.713263185444217,
9.095600085000001
],
[
0,
0,
0
],
[
3.5008981050106227,
2.4755087902961446,
6.06373339
],
[
5.290844289936663,
3.7411918756163387,
6.063... | [
[
5.251347157515934,
0,
3.0318666949999993
],
[
1.7504490525053096,
4.951017580592289,
3.0318666950000006
],
[
0,
0,
6.0637333899999994
]
] | [
56,
56,
92,
25,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.2605 | 1.0552 | 0 | 225 | 225 | [
"Ba",
"Mn",
"O",
"U"
] |
mp-21879 | mp-21879 | Ba2CePtO6 | # generated using pymatgen
data_Ba2CePtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01995358
_cell_length_b 6.01995358
_cell_length_c 6.01995358
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ba2CePtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51350000
_cell_length_b 8.51350000
_cell_length_c 8.51350000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.737810909961024,
1.2288178788534077,
3.00997679
],
[
5.213432729883077,
3.686453636560218,
9.029930369999999
],
[
3.4756218199220514,
2.4576357577068126,
6.019953579999999
],
[
0,
0,
0
],
[
5.286399934370519,
3.738049241657516,
6.019953... | [
[
5.213432729883078,
0,
3.009976789999999
],
[
1.7378109099610246,
4.915271515413624,
3.0099767899999987
],
[
0,
0,
6.01995358
]
] | [
56,
56,
58,
78,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.800952 | 1.5239 | 0 | 225 | 225 | [
"Ba",
"Ce",
"Pt",
"O"
] |
mp-1102249 | mp-1102249 | TbRe2 | # generated using pymatgen
data_TbRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44820977
_cell_length_b 5.44820977
_cell_length_c 8.85886100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999721
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44820977
_cell_length_b 5.44820977
_cell_length_c 8.85886100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.724104999877777,
1.572762666547285,
4.984340694179001
],
[
-1.4535000980631919e-15,
3.14552533309457,
3.8745203058210005
],
[
-1.4535000980631919e-15,
3.14552533309457,
0.5549101941790007
],
[
2.724104999877777,
1.572762666547285,
8.303950805821
],
... | [
[
5.448209999755555,
0,
1.5433522838084894e-15
],
[
-2.72410499987778,
4.718287999641855,
3.3360663279569187e-16
],
[
0,
0,
8.858861
]
] | [
65,
65,
65,
65,
75,
75,
75,
75,
75,
75,
75,
75
] | [
1,
1,
1
] | -0.195763 | 0 | 0 | 194 | 194 | [
"Re",
"Tb"
] |
mp-1219269 | mp-1219269 | Si(Ni3Se)2 | # generated using pymatgen
data_Si(Ni3Se)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57877300
_cell_length_b 3.57877300
_cell_length_c 9.51232770
_cell_angle_alpha 79.15735840
_cell_angle_beta 79.15735840
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Si(Ni3Se)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57877300
_cell_length_b 3.57877300
_cell_length_c 18.33909199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.0002336299785317195,
0.00024236368016632782,
0.0012197980679175193
],
[
1.6892835683946472,
1.7524334208069903,
8.819864838600255
],
[
3.132983728266737,
1.4269635859627483,
6.8451941481124
],
[
1.3110715482958382,
3.1832221378958483,
6.845193959503304... | [
[
3.5148830388962855,
0,
-0.6732112658060719
],
[
-0.128941321045512,
3.5125171038662013,
-0.6732116430242647
],
[
0,
0,
9.512327888609098
]
] | [
14,
28,
28,
28,
28,
28,
28,
34,
34
] | [
1,
1,
1
] | -0.41984 | 0 | 0.028842 | 107 | 107 | [
"Ni",
"Se",
"Si"
] |
mp-1224324 | mp-1224324 | Hf2Al3Ag | # generated using pymatgen
data_Hf2Al3Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28005779
_cell_length_b 5.28005779
_cell_length_c 5.28005768
_cell_angle_alpha 60.68427173
_cell_angle_beta 60.68427173
_cell_angle_gamma 60.68427532
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Hf2Al3Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33457383
_cell_length_b 5.33457383
_cell_length_c 12.86615936
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.3085220823803585,
1.6409087770564066,
3.943901122475651
],
[
3.808583078304026,
2.7071594632066818,
6.506619621362656
],
[
2.301933328319406,
3.357580682666694e-17,
6.572673445959577
],
[
0.7566192520227866,
2.174034120131544,
6.572673445959577
],
... | [
[
4.603866656638812,
0,
2.585231531919154
],
[
1.5132385040455731,
4.348068240263088,
2.585231531919154
],
[
0,
0,
5.28005768
]
] | [
72,
72,
13,
13,
13,
47
] | [
1,
1,
1
] | -0.359093 | 0 | 0 | 166 | 166 | [
"Ag",
"Al",
"Hf"
] |
mp-1224008 | mp-1224008 | Ho4US7 | # generated using pymatgen
data_Ho4US7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66022307
_cell_length_b 6.66022307
_cell_length_c 11.62660905
_cell_angle_alpha 75.81158657
_cell_angle_beta 75.81158657
_cell_angle_gamma 32.89985582
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ho4US7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.77520799
_cell_length_b 3.77204800
_cell_length_c 11.62660905
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.80751344
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.865045254907395e-17,
3.714508704303264,
1.2058191178038906
],
[
1.8860239989723735,
2.444844234520786,
8.781393028136632
],
[
4.188360845721852e-16,
0.0027913128549004944,
11.600176355728676
],
[
1.8860239989723735,
4.7238400220699175,
5.46119352128539... | [
[
3.7720479979447465,
0,
2.309713253456608e-16
],
[
-1.886023998972373,
6.175470917919823,
-1.6324961743866264
],
[
0,
0,
11.62660905
]
] | [
67,
67,
67,
67,
92,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.188186 | 0 | 0.057732 | 8 | 8 | [
"Ho",
"S",
"U"
] |
mvc-6720 | mvc-6720 | Ca(SbO2)2 | # generated using pymatgen
data_Ca(SbO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84602960
_cell_length_b 6.84602960
_cell_length_c 6.84602960
_cell_angle_alpha 114.17562425
_cell_angle_beta 114.17562425
_cell_angle_gamma 100.42394052
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ca(SbO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43962200
_cell_length_b 7.43962200
_cell_length_c 8.76222199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.2154806043720816,
1.4177949856682874,
3.4230147998525933
],
[
4.430961208744163,
2.8355899713365758,
-2.9481306285106257e-10
],
[
-1.7281619164314412,
4.6246147248723055,
-1.1781493578572497
],
[
0.11823419818195272,
2.1646723705785136,
0.1156455588742... | [
[
6.245594672668165,
0,
-2.8036883701453696
],
[
-3.6292669278480045,
5.6711799426731515,
-1.2386528602988862
],
[
0,
0,
6.8460296
]
] | [
20,
20,
51,
51,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.176139 | 2.8279 | 0.070896 | 82 | 82 | [
"Ca",
"O",
"Sb"
] |
mp-972062 | mp-972062 | YbTmHg2 | # generated using pymatgen
data_YbTmHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23294091
_cell_length_b 5.23294091
_cell_length_c 5.23294091
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbTmHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40049601
_cell_length_b 7.40049601
_cell_length_c 7.40049601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.0212398430419047,
2.136339180605913,
5.23294091
],
[
4.531859764562857,
3.2045087709088675,
7.849411365
],
[
1.510619921520953,
1.0681695903029569,
2.6164704550000013
]
] | [
[
4.531859764562857,
0,
2.6164704550000004
],
[
1.5106199215209524,
4.272678361211822,
2.616470455
],
[
0,
0,
5.232940909999999
]
] | [
70,
69,
80,
80
] | [
1,
1,
1
] | -0.558974 | 0 | 0.000889 | 225 | 225 | [
"Yb",
"Tm",
"Hg"
] |
mp-1220253 | mp-1220253 | Nd4Mn3NiO12 | # generated using pymatgen
data_Nd4Mn3NiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46275900
_cell_length_b 5.66814793
_cell_length_c 7.80979563
_cell_angle_alpha 89.81190472
_cell_angle_beta 89.62962664
_cell_angle_gamma 89.43158650
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Nd4Mn3NiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46275900
_cell_length_b 5.66814793
_cell_length_c 7.80979563
_cell_angle_alpha 89.81190472
_cell_angle_beta 89.62962664
_cell_angle_gamma 89.43158650
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.695202822512816,
3.1423239771804767,
5.904471677459597
],
[
0.08962164449526577,
0.3339774506646842,
5.889959188394083
],
[
2.823553930985683,
2.525515660743736,
1.9592440893837613
],
[
5.4291351090032345,
5.333862187259529,
1.9737565784492759
],
[... | [
[
5.462644866075348,
0,
0.03531230977487412
],
[
0.05611188742315126,
5.667839637924213,
0.018607827068484944
],
[
0,
0,
7.80979563
]
] | [
60,
60,
60,
60,
25,
25,
25,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.868391 | 0.2253 | 0.003551 | 2 | 2 | [
"Mn",
"Nd",
"Ni",
"O"
] |
mp-20591 | mp-20591 | Yb2InGe2 | # generated using pymatgen
data_Yb2InGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33721000
_cell_length_b 7.33721000
_cell_length_c 4.41997900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Yb2InGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33721000
_cell_length_b 7.33721000
_cell_length_c 4.41997900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2099895,
2.3924807507499994,
6.06108575075
],
[
2.2099895,
6.06108575075,
4.94472924925
],
[
2.2099895000000003,
1.27612424925,
2.39248075075
],
[
2.2099894999999994,
4.94472924925,
1.2761242492500005
],
[
0,
0,
0
],
[
-2.246372... | [
[
4.419979,
0,
2.7064565673242593e-16
],
[
-4.492745370585976e-16,
7.33721,
4.492745370585976e-16
],
[
0,
0,
7.33721
]
] | [
70,
70,
70,
70,
49,
49,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.596539 | 0 | 0 | 127 | 127 | [
"Ge",
"In",
"Yb"
] |
mp-754821 | mp-754821 | Mn6O7F5 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93155680
_cell_length_b 5.60879714
_cell_length_c 5.60879714
_cell_angle_alpha 68.10548021
_cell_angle_beta 68.06829297
_cell_angle_gamma 68.06829297
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.29402915
_cell_length_b 6.28135682
_cell_length_c 7.93155680
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.79527402
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0049069122660759,
3.3373305064420773,
-0.06761526928350889
],
[
-0.7787978647205527,
1.6861977313925427,
2.4731650301062658
],
[
-1.5350482653955964,
3.2963663043732674,
4.820718482648278
],
[
1.6219605286847056,
1.7208019656584927,
5.235050066543942
... | [
[
5.2777872742768075,
0,
-1.8983063096228616
],
[
-2.447396866072166,
5.007848663668673,
-0.6247445073021503
],
[
0,
0,
7.818995016108624
]
] | [
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.242926 | 0 | 0.047277 | 8 | 8 | [
"F",
"Mn",
"O"
] |
mp-1184376 | mp-1184376 | EuErTl2 | # generated using pymatgen
data_EuErTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48485335
_cell_length_b 5.48485335
_cell_length_c 5.48485335
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuErTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75675400
_cell_length_b 7.75675400
_cell_length_c 7.75675400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.1666815580881202,
2.239182003582492,
5.484853349999998
],
[
4.75002233713218,
3.358773005373738,
8.227280024999999
],
[
1.5833407790440597,
1.1195910017912452,
2.742426674999999
]
] | [
[
4.750022337132181,
0,
2.7424266749999995
],
[
1.5833407790440592,
4.478364007164984,
2.742426674999999
],
[
0,
0,
5.484853349999999
]
] | [
63,
68,
81,
81
] | [
1,
1,
1
] | -0.346088 | 0 | 0 | 225 | 225 | [
"Er",
"Eu",
"Tl"
] |
mp-1105300 | mp-1105300 | TlSb(PS3)2 | # generated using pymatgen
data_TlSb(PS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88197000
_cell_length_b 6.78761800
_cell_length_c 9.87880785
_cell_angle_alpha 88.04318501
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_TlSb(PS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78761800
_cell_length_b 7.88197000
_cell_length_c 9.87880785
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.95681499
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.2937592430931002,
6.188032181389999,
0.0205231773599147
],
[
5.489900541263305,
2.2470471813899993,
9.626513138517355
],
[
2.13234169831567,
3.8847077341999996,
4.676234786591282
],
[
4.6513180860407335,
7.825692734199999,
4.970801529285988
],
[
... | [
[
6.783659784356406,
0,
-0.2317715341227295
],
[
-4.826314665737732e-16,
7.88197,
4.826314665737732e-16
],
[
0,
0,
9.87880785
]
] | [
81,
81,
51,
51,
15,
15,
15,
15,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.606572 | 2.1806 | 0 | 4 | 4 | [
"P",
"S",
"Sb",
"Tl"
] |
mp-1103228 | mp-1103228 | BiIrSe | # generated using pymatgen
data_BiIrSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38819700
_cell_length_b 6.38819700
_cell_length_c 6.38819700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BiIrSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38819700
_cell_length_b 6.38819700
_cell_length_c 6.38819700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.8350331708549997,
4.0291316708550005,
5.553163829145
],
[
4.0291316708550005,
5.553163829144999,
0.8350331708550005
],
[
5.553163829144999,
0.835033170855,
4.0291316708550005
],
[
2.359065329145,
2.359065329145,
2.359065329145
],
[
3.1005944605... | [
[
6.388197,
0,
3.911642504186362e-16
],
[
-3.911642504186362e-16,
6.388197,
3.911642504186362e-16
],
[
0,
0,
6.388197
]
] | [
83,
83,
83,
83,
77,
77,
77,
77,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.408055 | 0.6862 | 0 | 198 | 198 | [
"Bi",
"Ir",
"Se"
] |
mvc-93 | mvc-93 | Ca(MnS2)4 | # generated using pymatgen
data_Ca(MnS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73818497
_cell_length_b 7.73818497
_cell_length_c 7.73818491
_cell_angle_alpha 51.38970557
_cell_angle_beta 51.38970557
_cell_angle_gamma 51.38970890
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ca(MnS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71021579
_cell_length_b 6.71021579
_cell_length_c 20.09563565
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.185041857811589,
2.791244150790391,
6.778495151010088
],
[
5.346742477862025,
5.582488301580783,
4.364104044015131
],
[
1.161700620050436,
2.7912441507903916,
1.4547013480050444
],
[
4.185041857811589,
2.791244150790391,
2.9094026960100874
],
[
... | [
[
6.0466824755223065,
0,
2.909402696010087
],
[
2.323401240100872,
5.582488301580783,
2.909402696010087
],
[
0,
0,
7.73818491
]
] | [
20,
25,
25,
25,
25,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.103512 | 0 | 0.000935 | 166 | 166 | [
"Ca",
"Mn",
"S"
] |
mp-1078699 | mp-1078699 | NbPt3 | # generated using pymatgen
data_NbPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63036100
_cell_length_b 4.94905400
_cell_length_c 5.60751200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NbPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63036100
_cell_length_b 4.94905400
_cell_length_c 5.60751200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
2.3151805,
3.248623383302,
2.8037560000000004
],
[
-1.0412134559556827e-16,
1.7004306166979999,
1.0412134559556827e-16
],
[
2.3151805,
0.815955482034,
4.208314390736
],
[
2.3151805,
0.815955482034,
1.3991976092640002
],
[
-2.5307929352938656e-16,... | [
[
4.630361,
0,
2.835278388773369e-16
],
[
-3.0304215699537026e-16,
4.949054,
3.0304215699537026e-16
],
[
0,
0,
5.607512
]
] | [
41,
41,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.64715 | 0 | 0 | 59 | 59 | [
"Nb",
"Pt"
] |
mp-1216578 | mp-1216578 | TmBiTe3 | # generated using pymatgen
data_TmBiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.97105291
_cell_length_b 10.97105291
_cell_length_c 10.97105297
_cell_angle_alpha 23.05205677
_cell_angle_beta 23.05205677
_cell_angle_gamma 23.05205870
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_TmBiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38431982
_cell_length_b 4.38431982
_cell_length_c 32.02513454
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.5250059224483157,
1.4982366745157838,
9.560098964917161
],
[
3.8282255613236607,
2.2715146460854614,
3.1694309212663616
],
[
0.0280806864675142,
0.01666194678482779,
10.833352201611806
],
[
1.3698215114406351,
0.8127968365282164,
4.253785751541174
],... | [
[
4.295905597560773,
0,
0.8760444484154122
],
[
2.0586285657146752,
3.7705242780782515,
0.8760444484154122
],
[
0,
0,
10.97105297
]
] | [
69,
83,
52,
52,
52
] | [
1,
1,
1
] | -1.032514 | 1.1969 | 0.022797 | 160 | 160 | [
"Bi",
"Te",
"Tm"
] |
mp-1217094 | mp-1217094 | Ti3Nb3Sn2 | # generated using pymatgen
data_Ti3Nb3Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29573394
_cell_length_b 5.29573394
_cell_length_c 5.29573396
_cell_angle_alpha 90.07850766
_cell_angle_beta 90.07850766
_cell_angle_gamma 90.07850793
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ti3Nb3Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49442800
_cell_length_b 7.49442800
_cell_length_c 9.15990334
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.3548381164219152,
6.630807256182182e-20,
1.3566958169817873
],
[
3.9462981545054774,
3.940887142536173,
-3.919078962669627e-16
],
[
0.0018589754235153013,
1.3548368410698237,
3.939038143018212
],
[
1.3404604810531897,
2.6478619918029977,
1.335032195485... | [
[
5.295728968643645,
0,
0.0072563032224834045
],
[
0.007266277707262861,
5.295723983605996,
-0.007256303222483932
],
[
0,
0,
5.29573396
]
] | [
22,
22,
22,
41,
41,
41,
50,
50
] | [
1,
1,
1
] | -0.235333 | 0 | 0 | 155 | 155 | [
"Nb",
"Sn",
"Ti"
] |
mp-10894 | mp-10894 | MnAlRh2 | # generated using pymatgen
data_MnAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27605714
_cell_length_b 4.27605714
_cell_length_c 4.27605714
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04725800
_cell_length_b 6.04725800
_cell_length_c 6.04725800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4687827408492216,
1.7456930173307947,
4.276057139999999
],
[
0,
0,
0
],
[
3.703174111273833,
2.6185395259961926,
6.414085709999999
],
[
1.234391370424611,
0.8728465086653976,
2.1380285700000004
]
] | [
[
3.703174111273832,
0,
2.1380285699999995
],
[
1.2343913704246117,
3.4913860346615904,
2.1380285699999995
],
[
0,
0,
4.27605714
]
] | [
25,
13,
45,
45
] | [
1,
1,
1
] | -0.683729 | 0 | 0 | 225 | 225 | [
"Mn",
"Al",
"Rh"
] |
mp-755228 | mp-755228 | Mn6O7F5 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68352300
_cell_length_b 5.62318605
_cell_length_c 7.72185140
_cell_angle_alpha 86.25909169
_cell_angle_beta 89.79728644
_cell_angle_gamma 88.52467485
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68352300
_cell_length_b 5.62318605
_cell_length_c 7.72185140
_cell_angle_alpha 86.25909169
_cell_angle_beta 89.79728644
_cell_angle_gamma 88.52467485
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3930269556464356,
2.7835376539722647,
7.9079626682873645
],
[
2.4002701288018007,
4.722135911257827,
5.451324210897049
],
[
2.512435554371189,
0.9356036433085382,
2.723094894764044
],
[
0.15279895953612208,
1.800074866186989,
5.22646466538041
],
[
... | [
[
4.683493686846302,
0,
0.01657035907382398
],
[
0.14347985989045814,
5.609369957423502,
0.3668835830002067
],
[
0,
0,
7.7218514
]
] | [
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.213572 | 0 | 0.076631 | 1 | 1 | [
"F",
"Mn",
"O"
] |
mp-1008279 | mp-1008279 | Co3Mo | # generated using pymatgen
data_Co3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59313700
_cell_length_b 3.59313700
_cell_length_c 3.59313700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Co3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59313700
_cell_length_b 3.59313700
_cell_length_c 3.59313700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
1.7965685,
1.7965685,
2.2001618629739616e-16
],
[
1.7965685,
0,
1.7965685
],
[
-1.1000809314869808e-16,
1.7965685,
1.7965685
],
[
0,
0,
0
]
] | [
[
3.593137,
0,
2.2001618629739616e-16
],
[
-2.2001618629739616e-16,
3.593137,
2.2001618629739616e-16
],
[
0,
0,
3.593137
]
] | [
27,
27,
27,
42
] | [
1,
1,
1
] | -0.000474 | 0 | 0.052197 | 221 | 221 | [
"Co",
"Mo"
] |
mp-1220464 | mp-1220464 | Nb8Si2Sb4Pd | # generated using pymatgen
data_Nb8Si2Sb4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01122100
_cell_length_b 7.86076681
_cell_length_c 7.86076681
_cell_angle_alpha 95.83135903
_cell_angle_beta 108.58727458
_cell_angle_gamma 71.41272542
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Nb8Si2Sb4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.53694200
_cell_length_b 10.53694200
_cell_length_c 5.01122100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.406362465865287,
6.515853695436336,
7.420317578189067
],
[
1.66672536614284,
0.9348894464743907,
2.8190588164128147
],
[
4.477666160168118,
2.1407475195337904,
2.492132322959401
],
[
2.6987400098862957,
5.3099956223769365,
7.781989003702411
],
[
... | [
[
4.749831649792491,
0,
1.5973212605705025
],
[
2.3749153512387795,
7.450743141910727,
0.7986604716137097
],
[
0,
0,
7.860767128447635
]
] | [
41,
41,
41,
41,
41,
41,
41,
41,
14,
14,
51,
51,
51,
51,
46
] | [
1,
1,
1
] | -0.505991 | 0 | 0 | 121 | 121 | [
"Nb",
"Pd",
"Sb",
"Si"
] |
mp-6822 | mp-6822 | NaGa(SiO3)2 | # generated using pymatgen
data_NaGa(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56401647
_cell_length_b 6.56401647
_cell_length_c 5.34421818
_cell_angle_alpha 76.81031052
_cell_angle_beta 76.81031052
_cell_angle_gamma 84.47387608
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_NaGa(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.71962000
_cell_length_b 8.82463800
_cell_length_c 5.34421818
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.95023488
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.275208490174238,
4.474542468200949,
2.7111345899288937
],
[
4.318218574210842,
1.90935287400505,
5.704414542604084
],
[
1.4397782987850662,
0.6381597139882806,
6.275894721133544
],
[
5.153648765600015,
5.745735628217718,
2.1396544113994342
],
[
... | [
[
5.203237594449843,
0,
1.2194205554878645
],
[
1.3901894699352384,
6.383895342205998,
0.6321121070451138
],
[
0,
0,
6.56401647
]
] | [
11,
11,
31,
31,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.859745 | 4.1792 | 0.019668 | 15 | 15 | [
"Ga",
"Na",
"O",
"Si"
] |
mp-1225299 | mp-1225299 | Eu2SeS | # generated using pymatgen
data_Eu2SeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34637876
_cell_length_b 7.34637876
_cell_length_c 7.34637924
_cell_angle_alpha 33.52126513
_cell_angle_beta 33.52126513
_cell_angle_gamma 33.52125933
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu2SeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23700842
_cell_length_b 4.23700842
_cell_length_c 20.78140574
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.455334480821458,
0.891090374862249,
2.5140822924867714
],
[
4.446193403354558,
2.7223708355133303,
7.275983892327087
],
[
0,
0,
0
],
[
2.950763942088008,
1.8067306051877894,
4.895033092406929
]
] | [
[
4.0570115253536425,
0,
1.2218434724069287
],
[
1.8445163588223736,
3.6134612103755788,
1.2218434724069287
],
[
0,
0,
7.34637924
]
] | [
63,
63,
34,
16
] | [
1,
1,
1
] | -2.319763 | 0 | 0.005829 | 166 | 166 | [
"Eu",
"S",
"Se"
] |
mp-1207519 | mp-1207519 | YbNi4Sn | # generated using pymatgen
data_YbNi4Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91137420
_cell_length_b 4.91137420
_cell_length_c 4.91137420
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbNi4Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94573200
_cell_length_b 6.94573200
_cell_length_c 6.94573200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.253374824691474,
3.0075901814674832,
7.3670613
],
[
4.25895525246147,
1.5018221115746988,
4.9113742
],
[
2.835580380877767,
3.514778159309434,
4.9113742
],
[
2.123892945085915,
1.501822111574698,
3.6786954021000997
],
[
2.123892945085915,
1... | [
[
4.253374824691474,
0,
2.4556871000000005
],
[
1.4177916082304913,
4.010120241956645,
2.4556871
],
[
0,
0,
4.911374199999999
]
] | [
70,
28,
28,
28,
28,
50
] | [
1,
1,
1
] | -0.360378 | 0 | 0 | 216 | 216 | [
"Ni",
"Sn",
"Yb"
] |
mp-10520 | mp-10520 | LiNdTiO4 | # generated using pymatgen
data_LiNdTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74738300
_cell_length_b 3.74738300
_cell_length_c 12.24777800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LiNdTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74738300
_cell_length_b 3.74738300
_cell_length_c 12.24777800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.8736914999999998,
1.8736915,
6.123889
],
[
0,
0,
6.123889
],
[
-1.1473051490323016e-16,
1.8736915,
1.4189663201900002
],
[
1.8736915,
0,
10.82881167981
],
[
-1.1473051490323016e-16,
1.8736915,
8.693142134394
],
[
1.8736915,
... | [
[
3.747383,
0,
2.294610298064603e-16
],
[
-2.294610298064603e-16,
3.747383,
2.294610298064603e-16
],
[
0,
0,
12.247778
]
] | [
3,
3,
60,
60,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.417165 | 2.2827 | 0.023203 | 129 | 129 | [
"Li",
"Nd",
"O",
"Ti"
] |
mp-1071737 | mp-1071737 | YZnGa | # generated using pymatgen
data_YZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42467616
_cell_length_b 4.42467616
_cell_length_c 7.22955300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000234
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42467616
_cell_length_b 4.42467616
_cell_length_c 7.22955300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.6147765
],
[
0,
0,
0
],
[
2.2123380017516197,
1.2772940010853668,
1.807388250000001
],
[
-9.779094572449722e-16,
2.554588002170734,
5.42216475
],
[
2.2123380017516197,
1.2772940010853668,
5.422164750000001
],
[
-9.77909457... | [
[
4.424676003503239,
0,
1.2534087003668606e-15
],
[
-2.2123380017516205,
3.831882003256101,
2.7093327483038006e-16
],
[
0,
0,
7.229553
]
] | [
39,
39,
30,
30,
31,
31
] | [
1,
1,
1
] | -0.586435 | 0 | 0 | 194 | 194 | [
"Ga",
"Y",
"Zn"
] |
mp-8414 | mp-8414 | K2HfF6 | # generated using pymatgen
data_K2HfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19419318
_cell_length_b 6.19419318
_cell_length_c 6.19419318
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2HfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75991200
_cell_length_b 8.75991200
_cell_length_c 8.75991200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.364328649828317,
3.7931531648068786,
9.29128977
],
[
1.7881095499427704,
1.2643843882689612,
3.0970965900000005
],
[
0,
0,
0
],
[
4.546593966667589,
1.1564514793487688,
4.51345460834562
],
[
1.6354693663214572,
1.1564514793487681,
6.194... | [
[
5.364328649828317,
0,
3.097096589999999
],
[
1.788109549942772,
5.0575375530758375,
3.0970965900000005
],
[
0,
0,
6.19419318
]
] | [
19,
19,
72,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.697635 | 6.8994 | 0.035847 | 225 | 225 | [
"K",
"Hf",
"F"
] |
mp-21164 | mp-21164 | SrGePt | # generated using pymatgen
data_SrGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69206300
_cell_length_b 6.69206300
_cell_length_c 6.69206300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69206300
_cell_length_b 6.69206300
_cell_length_c 6.69206300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9090565299829998,
0.9090565299829999,
0.909056529983
],
[
2.436974970017,
5.783006470017,
4.255088029983001
],
[
4.255088029983,
2.4369749700170003,
5.783006470017001
],
[
5.783006470017,
4.255088029983,
2.4369749700170007
],
[
1.10738920111399... | [
[
6.692063,
0,
4.097706766321217e-16
],
[
-4.097706766321217e-16,
6.692063,
4.097706766321217e-16
],
[
0,
0,
6.692063
]
] | [
38,
38,
38,
38,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.897543 | 0 | 0 | 198 | 198 | [
"Sr",
"Ge",
"Pt"
] |
mp-1206448 | mp-1206448 | Rb3ErF6 | # generated using pymatgen
data_Rb3ErF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83122709
_cell_length_b 6.83122709
_cell_length_c 6.83122709
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb3ErF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66081400
_cell_length_b 9.66081400
_cell_length_c 9.66081400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9720053996534797,
1.3944183906314662,
3.4156135450000003
],
[
5.916016198960445,
4.183255171894394,
10.246840635
],
[
3.9440107993069637,
2.78883678126293,
6.831227090000001
],
[
0,
0,
0
],
[
6.118288736813701,
4.326283455058245,
6.8312... | [
[
5.916016198960445,
0,
3.4156135450000007
],
[
1.9720053996534816,
5.577673562525858,
3.4156135450000003
],
[
0,
0,
6.831227089999999
]
] | [
37,
37,
37,
68,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.552727 | 5.9394 | 0 | 225 | 225 | [
"Er",
"F",
"Rb"
] |
mp-1030752 | mp-1030752 | Sr8Co3N8 | # generated using pymatgen
data_Sr8Co3N8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.73236097
_cell_length_b 9.73236097
_cell_length_c 7.46021313
_cell_angle_alpha 74.80167635
_cell_angle_beta 74.80167635
_cell_angle_gamma 31.83507668
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr8Co3N8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.71839399
_cell_length_b 5.33827000
_cell_length_c 7.46021313
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.81985419
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.004057535502001376,
1.8988608694609856,
0.014227558400685354
],
[
4.571764441055705,
5.278786131737212,
6.298317146605993
],
[
1.4155065388603494,
3.7836750837406257,
4.963407452196162
],
[
3.1603154376973563,
3.393971917457571,
1.349137252810518
],
... | [
[
5.133586874368313,
0,
-1.4640397465778756
],
[
-0.5577648978106065,
7.177647001198197,
-1.9557765184154452
],
[
0,
0,
9.73236097
]
] | [
38,
38,
38,
38,
38,
38,
38,
38,
27,
27,
27,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.674971 | 0 | 0 | 12 | 12 | [
"Co",
"N",
"Sr"
] |
mp-1219597 | mp-1219597 | RbFeCuF6 | # generated using pymatgen
data_RbFeCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42160309
_cell_length_b 7.42160309
_cell_length_c 7.42160309
_cell_angle_alpha 122.80731521
_cell_angle_beta 118.44401544
_cell_angle_gamma 88.96201000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_RbFeCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10449000
_cell_length_b 7.59546000
_cell_length_c 10.59037200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.135428278973198,
0.8135755827748893,
7.257141949884302
],
[
4.2211830240058,
5.358572920228507,
7.099832728018007
],
[
0,
0,
0
],
[
7.297224829281729,
3.086074251501699,
8.878718997556247
],
[
4.1783056514895,
3.0860742515016977,
3.4676... | [
[
6.23783835558446,
0,
3.4004633172101855
],
[
2.118772947394539,
6.172148503003396,
3.5349082703458548
],
[
0,
0,
7.4216030903462675
]
] | [
37,
37,
26,
26,
29,
29,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.482408 | 0 | 0.006164 | 74 | 74 | [
"Cu",
"F",
"Fe",
"Rb"
] |
mp-1018822 | mp-1018822 | NdZnIn | # generated using pymatgen
data_NdZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75690562
_cell_length_b 4.75690562
_cell_length_c 7.61550200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999471
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75690562
_cell_length_b 4.75690562
_cell_length_c 7.61550200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.807751
],
[
0,
0,
0
],
[
2.378453000177093,
1.3732003335087213,
1.903875500000001
],
[
-2.400371752953647e-16,
2.746400667017442,
5.7116265
],
[
2.378453000177093,
1.3732003335087213,
5.711626500000001
],
[
-2.400371752953... | [
[
4.756906000354187,
0,
1.3475217988730859e-15
],
[
-2.378453000177094,
4.119601000526164,
2.912764620689528e-16
],
[
0,
0,
7.615502
]
] | [
60,
60,
30,
30,
49,
49
] | [
1,
1,
1
] | -0.449787 | 0 | 0 | 194 | 194 | [
"In",
"Nd",
"Zn"
] |
mp-1113744 | mp-1113744 | Rb2AgAuBr6 | # generated using pymatgen
data_Rb2AgAuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69896591
_cell_length_b 7.69896591
_cell_length_c 7.69896591
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2AgAuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.88798201
_cell_length_b 10.88798201
_cell_length_c 10.88798201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2225000203101257,
1.5715448355485298,
3.849482955000001
],
[
6.667500060930378,
4.71463450664559,
11.548448864999997
],
[
4.4450000406202514,
3.1430896710970595,
7.698965909999998
],
[
0,
0,
0
],
[
3.323197600368755,
4.729557896403958,
... | [
[
6.6675000609303785,
0,
3.849482954999999
],
[
2.222500020310125,
6.286179342194119,
3.8494829549999987
],
[
0,
0,
7.698965909999999
]
] | [
37,
37,
47,
79,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.176443 | 0 | 0.032129 | 225 | 225 | [
"Ag",
"Au",
"Br",
"Rb"
] |
mp-1205714 | mp-1205714 | Rb2P2Pd | # generated using pymatgen
data_Rb2P2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01874483
_cell_length_b 8.01874483
_cell_length_c 6.15183800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 130.95376645
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2P2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65652600
_cell_length_b 14.59080999
_cell_length_c 6.15183800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.613878500000001,
1.2969187819503454,
2.8427884954042795
],
[
1.5379595000000017,
4.7591478527313065,
2.413096355403182
],
[
4.613878500000002,
3.507510281008477,
-0.3304377338776997
],
[
1.5379595000000008,
2.548556353673176,
5.586322584685161
],
[... | [
[
6.151838,
0,
3.7669143577865275e-16
],
[
2.3186067156158044e-15,
6.0560666346816525,
-2.7628599791925383
],
[
0,
0,
8.01874483
]
] | [
37,
37,
37,
37,
15,
15,
15,
15,
46,
46
] | [
1,
1,
1
] | -0.50602 | 1.2687 | 0 | 63 | 63 | [
"P",
"Pd",
"Rb"
] |
mp-1228939 | mp-1228939 | Al3NO3 | # generated using pymatgen
data_Al3NO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72277109
_cell_length_b 5.72277109
_cell_length_c 5.72277164
_cell_angle_alpha 59.29368068
_cell_angle_beta 59.29368068
_cell_angle_gamma 59.29367622
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Al3NO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66156633
_cell_length_b 5.66156633
_cell_length_c 14.09223175
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.8778380545188238,
0.6174497274434401,
4.1804344536892835
],
[
5.705815681297637,
4.0133306127755555,
7.143354554931366
],
[
3.2918268679082305,
2.3153901701094974,
5.661894504310324
],
[
0.8316191446486877,
2.315390170109498,
1.400254342155163
],
[... | [
[
4.920415446519086,
0,
2.800508684310324
],
[
1.6632382892973754,
4.630780340218996,
2.8005086843103246
],
[
0,
0,
5.72277164
]
] | [
13,
13,
13,
13,
13,
13,
7,
7,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.851897 | 4.0912 | 0.048324 | 166 | 166 | [
"Al",
"N",
"O"
] |
mp-1205678 | mp-1205678 | Ho2MgSi2 | # generated using pymatgen
data_Ho2MgSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13224500
_cell_length_b 7.13224500
_cell_length_c 4.19582800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ho2MgSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13224500
_cell_length_b 7.13224500
_cell_length_c 4.19582800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0979139999999994,
4.840761665175,
1.2746391651750006
],
[
2.0979139999999994,
2.291483334825,
5.857605834825001
],
[
2.0979139999999994,
1.2746391651750002,
2.291483334825
],
[
2.097913999999999,
5.857605834825001,
4.840761665175
],
[
0,
0,... | [
[
4.195828,
0,
2.5692036649864203e-16
],
[
-4.3672405049923574e-16,
7.132245,
4.3672405049923574e-16
],
[
0,
0,
7.132245
]
] | [
67,
67,
67,
67,
12,
12,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.682946 | 0 | 0 | 127 | 127 | [
"Ho",
"Mg",
"Si"
] |
mp-1222365 | mp-1222365 | Lu2Ga3Cu | # generated using pymatgen
data_Lu2Ga3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33201162
_cell_length_b 4.33201162
_cell_length_c 7.00744900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999416
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Lu2Ga3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33201162
_cell_length_b 4.33201162
_cell_length_c 7.00744900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.798320341497795e-16,
2.5010880013479277,
1.8896777494830006
],
[
5.798320341497795e-16,
2.5010880013479277,
5.1792055559
],
[
0,
0,
3.679877752962
],
[
0,
0,
6.6750927013790005
],
[
2.166006001196728,
1.2505440006739637,
0.3619557631970... | [
[
4.332012002393457,
0,
1.227159125231902e-15
],
[
-2.1660060011967284,
3.7516320020218914,
2.6525920821510704e-16
],
[
0,
0,
7.007449
]
] | [
71,
71,
31,
31,
31,
29
] | [
1,
1,
1
] | -0.571853 | 0 | 0 | 156 | 156 | [
"Cu",
"Ga",
"Lu"
] |
mp-1008555 | mp-1008555 | AlCu3 | # generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67148100
_cell_length_b 3.67148100
_cell_length_c 3.67148100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67148100
_cell_length_b 3.67148100
_cell_length_c 3.67148100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
0,
0,
0
],
[
1.8357404999999998,
1.8357405,
2.2481337273901616e-16
],
[
1.8357405,
0,
1.8357405000000002
],
[
-1.1240668636950808e-16,
1.8357405,
1.8357405000000002
]
] | [
[
3.671481,
0,
2.2481337273901616e-16
],
[
-2.2481337273901616e-16,
3.671481,
2.2481337273901616e-16
],
[
0,
0,
3.671481
]
] | [
13,
29,
29,
29
] | [
1,
1,
1
] | -0.181494 | 0 | 0.007945 | 221 | 221 | [
"Al",
"Cu"
] |
mp-23197 | mp-23197 | TlI | # generated using pymatgen
data_TlI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28759800
_cell_length_b 4.28759800
_cell_length_c 4.28759800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlI... | # generated using pymatgen
data_TlI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28759800
_cell_length_b 4.28759800
_cell_length_c 4.28759800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlI... | [
[
0,
0,
0
],
[
2.143799,
2.143799,
2.1437990000000005
]
] | [
[
4.287598,
0,
2.625396583365297e-16
],
[
-2.625396583365297e-16,
4.287598,
2.625396583365297e-16
],
[
0,
0,
4.287598
]
] | [
81,
53
] | [
1,
1,
1
] | -0.81908 | 2.2503 | 0.051468 | 221 | 221 | [
"Tl",
"I"
] |
mp-571608 | mp-571608 | Yb3Ag2 | # generated using pymatgen
data_Yb3Ag2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.20910200
_cell_length_b 8.20910200
_cell_length_c 4.15793000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Yb3Ag2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.20910200
_cell_length_b 8.20910200
_cell_length_c 4.15793000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0789649999999997,
2.773986911432,
6.878537911432
],
[
2.0789649999999997,
6.878537911432,
5.435115088568001
],
[
0,
0,
0
],
[
2.0789649999999997,
5.435115088568,
1.3305640885680003
],
[
2.078965,
1.330564088568,
2.773986911432
],
[
... | [
[
4.15793,
0,
2.5459978327893775e-16
],
[
-5.026625244087068e-16,
8.209102,
5.026625244087068e-16
],
[
0,
0,
8.209102
]
] | [
70,
70,
70,
70,
70,
70,
47,
47,
47,
47
] | [
1,
1,
1
] | -0.36478 | 0 | 0 | 127 | 127 | [
"Ag",
"Yb"
] |
mp-1225443 | mp-1225443 | ErTiCo11 | # generated using pymatgen
data_ErTiCo11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68418100
_cell_length_b 6.33059359
_cell_length_c 6.33059359
_cell_angle_alpha 97.57840114
_cell_angle_beta 111.71339001
_cell_angle_gamma 68.28660999
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_ErTiCo11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68418100
_cell_length_b 8.29349400
_cell_length_c 8.34158600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1477386042320874,
5.8389285660214645,
0.9372340541332296
],
[
5.149665169552627,
2.169052572754824,
6.06003849445115
],
[
2.1555782118223608,
5.855296266236149,
4.056312477464791
],
[
4.349726949066221,
5.855296266236149,
4.930063966124329
],
[
... | [
[
4.351820514931563,
0,
1.7329771627409811
],
[
2.163329721535191,
5.88131520470175,
0.8980819453789133
],
[
0,
0,
6.330593219739421
]
] | [
68,
22,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | -0.145164 | 0 | 0.011933 | 44 | 44 | [
"Co",
"Er",
"Ti"
] |
mp-1025420 | mp-1025420 | SmSi2Ni | # generated using pymatgen
data_SmSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44376020
_cell_length_b 8.44376020
_cell_length_c 4.04615500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.88688294
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10163400
_cell_length_b 16.38184800
_cell_length_c 4.04615500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0346162500000005,
1.5667982529639968,
6.257762353026083
],
[
1.01153875,
2.412018240716556,
1.189794670905968
],
[
3.03461625,
0.1609192542704168,
0.6427084338047067
],
[
1.0115387500000002,
3.8178972394101356,
6.804848590127342
],
[
3.03461625... | [
[
4.046155,
0,
2.4775553848020294e-16
],
[
6.398424922394673e-16,
3.9788164936805517,
-0.9962031760679487
],
[
0,
0,
8.4437602
]
] | [
62,
62,
14,
14,
14,
14,
28,
28
] | [
1,
1,
1
] | -0.838552 | 0 | 0 | 63 | 63 | [
"Sm",
"Si",
"Ni"
] |
mp-1185291 | mp-1185291 | Li3Zn | # generated using pymatgen
data_Li3Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77192689
_cell_length_b 5.77192689
_cell_length_c 4.66766100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998733
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77192689
_cell_length_b 5.77192689
_cell_length_c 4.66766100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.500745750000002,
4.1397103405110816,
-1.3982617483836832
],
[
3.5007457500000005,
1.7178512263953694,
-3.79873942404097e-7
],
[
3.500745750000002,
4.1397103405110816,
1.3982599175288766
],
[
1.1669152499999997,
0.8589256131976847,
4.284224088019308
]... | [
[
4.667661,
0,
2.8581180515774667e-16
],
[
1.9137621149700242e-15,
4.998635953708766,
-2.8859645503643745
],
[
0,
0,
5.77192689
]
] | [
3,
3,
3,
3,
3,
3,
30,
30
] | [
1,
1,
1
] | -0.097824 | 0 | 0.011513 | 194 | 194 | [
"Li",
"Zn"
] |
mp-1133299 | mp-1133299 | CaV(SiO3)2 | # generated using pymatgen
data_CaV(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30973147
_cell_length_b 6.79926209
_cell_length_c 6.79926453
_cell_angle_alpha 84.67961364
_cell_angle_beta 78.86880455
_cell_angle_gamma 78.86831095
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_CaV(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.05153228
_cell_length_b 9.15896419
_cell_length_c 5.30973147
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.14055343
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.268697772273453,
1.982494506092121,
5.731867927610307
],
[
2.1549807574981137,
4.677810543491827,
2.7228717973066296
],
[
5.012229032827979,
6.062965854637081,
1.952565323679737
],
[
1.411277176192646,
0.5968796366557942,
6.5027322062185196
],
[
... | [
[
5.20984319487299,
0,
1.0250766646178027
],
[
1.2138176323063934,
6.6602650879934195,
0.6304606900269646
],
[
0,
0,
6.79926453
]
] | [
20,
20,
23,
23,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.138289 | 2.3471 | 0.004525 | 15 | 15 | [
"Ca",
"O",
"Si",
"V"
] |
mp-1190015 | mp-1190015 | NaNbO3 | # generated using pymatgen
data_NaNbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61527100
_cell_length_b 5.64296100
_cell_length_c 7.87569500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaNbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61527100
_cell_length_b 5.64296100
_cell_length_c 7.87569500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.789655402258,
1.416230851053,
2.575362568847585e-16
],
[
5.597290902258,
4.2267301489469995,
3.9378475000000006
],
[
2.762640333477,
1.275495403713,
3.9378475000000006
],
[
5.570275833477,
4.3674655962869995,
6.085111616357262e-16
],
[
2.715410... | [
[
5.615271,
0,
3.4383618282474783e-16
],
[
-3.4553170631816735e-16,
5.642961,
3.4553170631816735e-16
],
[
0,
0,
7.875695
]
] | [
11,
11,
11,
11,
41,
41,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.828911 | 2.2327 | 0.016607 | 31 | 31 | [
"Na",
"Nb",
"O"
] |
mp-1101470 | mp-1101470 | NaTi2O4 | # generated using pymatgen
data_NaTi2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76100747
_cell_length_b 6.76100747
_cell_length_c 6.76100747
_cell_angle_alpha 150.85659980
_cell_angle_beta 144.71441048
_cell_angle_gamma 46.39470334
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_NaTi2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40202200
_cell_length_b 4.09827600
_cell_length_c 12.42880800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.6711484660119029,
3.0372830335091634,
2.581805795388483
],
[
0.2647131173891965,
0.3469376880258802,
1.018310992684228
],
[
2.931715315108523,
1.6846938855882116,
4.516854248045138
],
[
0.09302806055623823,
2.2795882171450743,
0.3578647614992711
],
... | [
[
3.29259104897612,
0,
-0.8559193086261049
],
[
-0.322891062559589,
3.892141264397676,
-1.242112675909028
],
[
0,
0,
6.76100747
]
] | [
11,
22,
22,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.078496 | 0 | 0.061175 | 44 | 44 | [
"Na",
"O",
"Ti"
] |
mp-20532 | mp-20532 | PrSb2Pd | # generated using pymatgen
data_PrSb2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51130900
_cell_length_b 4.51130900
_cell_length_c 10.00753200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrSb2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51130900
_cell_length_b 4.51130900
_cell_length_c 10.00753200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.3811900317036615e-16,
2.2556545,
7.534060383348
],
[
2.2556545,
0,
2.473471616652
],
[
-1.3811900317036615e-16,
2.2556545,
1.519213410324
],
[
2.2556545,
0,
8.488318589676
],
[
0,
0,
5.003766
],
[
2.2556545,
2.2556545,
... | [
[
4.511309,
0,
2.762380063407323e-16
],
[
-2.762380063407323e-16,
4.511309,
2.762380063407323e-16
],
[
0,
0,
10.007532
]
] | [
59,
59,
51,
51,
51,
51,
46,
46
] | [
1,
1,
1
] | -0.947813 | 0 | 0 | 129 | 129 | [
"Pd",
"Pr",
"Sb"
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.