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-940 | mp-940 | GdN | # generated using pymatgen
data_GdN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52721974
_cell_length_b 3.52721974
_cell_length_c 3.52721974
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdN... | # generated using pymatgen
data_GdN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98824199
_cell_length_b 4.98824199
_cell_length_c 4.98824199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdN... | [
[
0,
0,
0
],
[
2.036441266379961,
1.4399814289453912,
3.52721974
]
] | [
[
3.054661899569943,
0,
1.7636098699999996
],
[
1.0182206331899801,
2.8799628578907828,
1.7636098699999994
],
[
0,
0,
3.5272197399999996
]
] | [
64,
7
] | [
1,
1,
1
] | -1.758859 | 0 | 0 | 225 | 225 | [
"Gd",
"N"
] |
mp-1176502 | mp-1176502 | LuNbO4 | # generated using pymatgen
data_LuNbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97607599
_cell_length_b 6.97607599
_cell_length_c 7.12914834
_cell_angle_alpha 73.44098669
_cell_angle_beta 73.44098669
_cell_angle_gamma 33.29881608
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuNbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.36722000
_cell_length_b 3.99749600
_cell_length_c 7.12914834
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.30595481
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.578946837801119e-16,
2.497348496457756,
4.8928159013010095
],
[
1.9987480002103375,
3.8836937307383903,
0.24813155733682407
],
[
7.814559228988063e-16,
1.2882813773330841,
1.1240790511565502
],
[
1.9987480002103375,
5.092760849863062,
4.01686840748128... | [
[
3.9974960004206754,
0,
2.4477603407597634e-16
],
[
-1.9987480002103382,
6.381042227196146,
-1.9882008813621674
],
[
0,
0,
7.12914834
]
] | [
71,
71,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.546623 | 3.3053 | 0.035752 | 12 | 12 | [
"Lu",
"Nb",
"O"
] |
mp-1181917 | mp-1181917 | CaRhO3 | # generated using pymatgen
data_CaRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40601700
_cell_length_b 5.65445900
_cell_length_c 7.72661700
_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_CaRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40601700
_cell_length_b 5.65445900
_cell_length_c 7.72661700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.80037086617,
3.1924736246460004,
1.9316542500000005
],
[
5.308654633830001,
0.365244124646,
1.9316542500000005
],
[
2.60564613383,
2.461985375354,
5.794962750000001
],
[
0.0973623661699997,
5.289214875354,
5.794962750000001
],
[
2.7030085,
... | [
[
5.406017,
0,
3.310230707593089e-16
],
[
-3.4623575576299717e-16,
5.654459,
3.4623575576299717e-16
],
[
0,
0,
7.726617
]
] | [
20,
20,
20,
20,
45,
45,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.079274 | 0 | 0.013783 | 62 | 62 | [
"Ca",
"O",
"Rh"
] |
mp-1105792 | mp-1105792 | Tb5Ge3C | # generated using pymatgen
data_Tb5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54581845
_cell_length_b 8.54581845
_cell_length_c 6.49644700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000346
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tb5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54581845
_cell_length_b 8.54581845
_cell_length_c 6.49644700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
9.444945766220276e-16,
2.466965205265209,
4.272909373976065
],
[
1.8889891532440545e-15,
4.933930410530415,
2.979521281449512e-7
],
[
3.2482235000000017,
4.933930410530415,
2.979521281449512e-7
],
[
3.248223500000001,
2.466965205265209,
4.272909373976065... | [
[
6.496447,
0,
3.9779265121902125e-16
],
[
2.8334837298660816e-15,
7.400895615795624,
-4.272908778071808
],
[
0,
0,
8.54581845
]
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
32,
32,
32,
32,
32,
32,
6,
6
] | [
1,
1,
1
] | -0.710745 | 0 | 0.01082 | 193 | 193 | [
"C",
"Ge",
"Tb"
] |
mp-752740 | mp-752740 | LiMnF4 | # generated using pymatgen
data_LiMnF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07609400
_cell_length_b 5.32783209
_cell_length_c 6.33041328
_cell_angle_alpha 114.50359523
_cell_angle_beta 107.19315787
_cell_angle_gamma 89.85070134
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiMnF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07609400
_cell_length_b 5.32783209
_cell_length_c 6.33041328
_cell_angle_alpha 114.50359523
_cell_angle_beta 107.19315787
_cell_angle_gamma 89.85070134
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.6704445537186017,
4.143598879924062,
8.584017329444265
],
[
3.5096163214356992,
0.6579739263640833,
1.4565789063226227
],
[
0,
0,
3.1652066399999996
],
[
2.0900304375771506,
2.400786403144073,
5.020298117883444
],
[
2.2908167697234676,
1.08... | [
[
4.849261978684125,
0,
1.5004627815859106
],
[
-0.6692011035298243,
4.801572806288146,
2.209720174180977
],
[
0,
0,
6.33041328
]
] | [
3,
3,
25,
25,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.893357 | 2.2352 | 0.04225 | 2 | 2 | [
"F",
"Li",
"Mn"
] |
mp-21357 | mp-21357 | U2Fe2Sn | # generated using pymatgen
data_U2Fe2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27432700
_cell_length_b 7.27432700
_cell_length_c 3.35550200
_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_U2Fe2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27432700
_cell_length_b 7.27432700
_cell_length_c 3.35550200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6777509999999998,
2.4358738648930003,
6.0730373648930005
],
[
1.6777509999999995,
6.0730373648930005,
4.8384531351070015
],
[
1.677751,
1.2012896351070002,
2.4358738648930003
],
[
1.6777509999999998,
4.838453135107001,
1.2012896351070006
],
[
3... | [
[
3.355502,
0,
2.054652391916271e-16
],
[
-4.454240638250584e-16,
7.274327,
4.454240638250584e-16
],
[
0,
0,
7.274327
]
] | [
92,
92,
92,
92,
26,
26,
26,
26,
50,
50
] | [
1,
1,
1
] | -0.151032 | 0 | 0 | 127 | 127 | [
"Fe",
"Sn",
"U"
] |
mp-1220433 | mp-1220433 | Nb4CoPt3 | # generated using pymatgen
data_Nb4CoPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82291500
_cell_length_b 4.61930600
_cell_length_c 9.96067800
_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_Nb4CoPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82291500
_cell_length_b 4.61930600
_cell_length_c 9.96067800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.4142545767955408e-16,
2.309653,
3.98571549831
],
[
-1.4142545767955408e-16,
2.309653,
9.149510265714
],
[
0,
0,
0.9708971666940001
],
[
0,
0,
5.861998452491999
],
[
1.4114574999999998,
2.309653,
1.585829583702
],
[
1.4114574999... | [
[
2.822915,
0,
1.7285369095075253e-16
],
[
-2.8285091535910815e-16,
4.619306,
2.8285091535910815e-16
],
[
0,
0,
9.960678
]
] | [
41,
41,
41,
41,
27,
78,
78,
78
] | [
1,
1,
1
] | -0.446105 | 0 | 0.055846 | 25 | 25 | [
"Co",
"Nb",
"Pt"
] |
mp-1207024 | mp-1207024 | Zr3Si2 | # generated using pymatgen
data_Zr3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13737000
_cell_length_b 7.13737000
_cell_length_c 3.69971100
_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_Zr3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13737000
_cell_length_b 7.13737000
_cell_length_c 3.69971100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8498554999999999,
4.809745170339999,
1.2410601703400004
],
[
1.8498554999999999,
2.32762482966,
5.89630982966
],
[
1.8498555,
1.24106017034,
2.3276248296600004
],
[
1.8498554999999997,
5.89630982966,
4.80974517034
],
[
0,
0,
0
],
[
... | [
[
3.699711,
0,
2.2654196169601266e-16
],
[
-4.370378662415172e-16,
7.13737,
4.370378662415172e-16
],
[
0,
0,
7.13737
]
] | [
40,
40,
40,
40,
40,
40,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.854795 | 0 | 0 | 127 | 127 | [
"Si",
"Zr"
] |
mp-1206259 | mp-1206259 | TmMgAu | # generated using pymatgen
data_TmMgAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58952659
_cell_length_b 7.58952659
_cell_length_c 4.05399100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000514
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmMgAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58952659
_cell_length_b 7.58952659
_cell_length_c 4.05399100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0279744165030871e-15,
2.6850097186220068,
1.550191404985883
],
[
4.053991,
2.3014041318820324e-16,
4.489144261772281
],
[
1.4884375423889963e-15,
3.8877127705875236,
-2.2445717821197153
],
[
2.0269955000000017,
4.932585037419652,
2.8478298891574236
]... | [
[
4.053991,
0,
2.4823535509610886e-16
],
[
2.5164119588920834e-15,
6.57272248920953,
-3.7947627053615522
],
[
0,
0,
7.58952659
]
] | [
69,
69,
69,
12,
12,
12,
79,
79,
79
] | [
1,
1,
1
] | -0.680293 | 0 | 0 | 189 | 189 | [
"Au",
"Mg",
"Tm"
] |
mp-1520435 | mp-1520435 | Ba2SmFeO6 | # generated using pymatgen
data_Ba2SmFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95224582
_cell_length_b 5.95224582
_cell_length_c 5.95224582
_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_Ba2SmFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41774677
_cell_length_b 8.41774677
_cell_length_c 8.41774677
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.154796089689735,
3.6449912706535117,
8.928368729999999
],
[
1.7182653632299119,
1.214997090217837,
2.9761229099999986
],
[
3.436530726459823,
2.429994180435675,
5.95224582
],
[
0,
0,
0
],
[
2.5063939590482747,
3.745406211770957,
4.34120... | [
[
5.154796089689737,
0,
2.9761229100000004
],
[
1.718265363229911,
4.859988360871348,
2.97612291
],
[
0,
0,
5.952245819999999
]
] | [
56,
56,
62,
26,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.639741 | 0 | 0.026252 | 225 | 225 | [
"Ba",
"Fe",
"O",
"Sm"
] |
mp-759856 | mp-759856 | W(OF)2 | # generated using pymatgen
data_W(OF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88079692
_cell_length_b 3.88079692
_cell_length_c 9.49349200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.11235173
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_W(OF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48289200
_cell_length_b 5.49365400
_cell_length_c 9.49349200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7970172150283905,
1.0859069832210602,
2.373373
],
[
1.0913895843034216,
2.7948824756414075,
7.120118999999999
],
[
2.9320135273474204,
2.8843346726681873,
7.120119
],
[
2.890078531258106,
2.9263519801392914,
2.3733730000000004
],
[
0.9983282680... | [
[
3.88079692,
0,
2.3763027631094535e-16
],
[
0.007609879331812733,
3.880789458862467,
2.3763027631094535e-16
],
[
0,
0,
9.493492
]
] | [
74,
74,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.484315 | 1.8619 | 0.000408 | 63 | 63 | [
"F",
"O",
"W"
] |
mp-1218699 | mp-1218699 | SrCaPb6 | # generated using pymatgen
data_SrCaPb6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07293100
_cell_length_b 5.07293100
_cell_length_c 9.84826100
_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_SrCaPb6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07293100
_cell_length_b 5.07293100
_cell_length_c 9.84826100
_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,
4.9241305
],
[
0,
0,
0
],
[
2.5364655,
0,
2.420485892058
],
[
2.5364655,
0,
7.427775107942001
],
[
-1.5531371778613454e-16,
2.5364655,
2.420485892058
],
[
-1.5531371778613454e-16,
2.5364655,
7.427775107942001
],
... | [
[
5.072931,
0,
3.106274355722691e-16
],
[
-3.106274355722691e-16,
5.072931,
3.106274355722691e-16
],
[
0,
0,
9.848261
]
] | [
38,
20,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.308829 | 0 | 0 | 123 | 123 | [
"Ca",
"Pb",
"Sr"
] |
mp-1078774 | mp-1078774 | PuGaRh | # generated using pymatgen
data_PuGaRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95619784
_cell_length_b 6.95619784
_cell_length_c 3.93817800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999850
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PuGaRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95619784
_cell_length_b 6.95619784
_cell_length_c 3.93817800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.969089,
3.703877368037392e-16,
2.87967113222048
],
[
1.969089000000001,
2.493868392742439,
5.516362208600439
],
[
1.9690890000000014,
3.530375741504415,
2.0382632614647402
],
[
3.938178,
5.701592854442945e-16,
5.2318885632229595
],
[
3.93817800... | [
[
3.938178,
0,
2.411438541086263e-16
],
[
2.306423252707179e-15,
6.024244134246855,
-3.478099077714341
],
[
0,
0,
6.95619784
]
] | [
94,
94,
94,
31,
31,
31,
45,
45,
45
] | [
1,
1,
1
] | -0.633761 | 0 | 0 | 189 | 189 | [
"Ga",
"Pu",
"Rh"
] |
mp-1219606 | mp-1219606 | RbSbMoO6 | # generated using pymatgen
data_RbSbMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35592708
_cell_length_b 7.35592708
_cell_length_c 7.35592708
_cell_angle_alpha 120.83907800
_cell_angle_beta 117.79740753
_cell_angle_gamma 91.20472075
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_RbSbMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26243800
_cell_length_b 7.59944800
_cell_length_c 10.29291199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.294471150516222,
5.056558504567238,
10.824175165791347
],
[
4.094750517000513,
0.6321225434441068,
3.820106663240043
],
[
7.43812984815992,
3.0791603389981255,
8.963901953934096
],
[
4.280191868043116,
3.0791603389981255,
7.171367679513717
],
[
... | [
[
6.315875960233607,
0,
3.585068548840756
],
[
2.2282327637462225,
6.113666458185663,
3.430411694665926
],
[
0,
0,
7.355927079894464
]
] | [
37,
37,
51,
51,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.039865 | 2.4779 | 0 | 46 | 46 | [
"Mo",
"O",
"Rb",
"Sb"
] |
mp-21238 | mp-21238 | ThSi | # generated using pymatgen
data_ThSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11439100
_cell_length_b 5.90593300
_cell_length_c 7.99088200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th... | # generated using pymatgen
data_ThSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11439100
_cell_length_b 5.90593300
_cell_length_c 7.99088200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th... | [
[
1.02859775,
0.726689620052,
1.43731994534
],
[
3.0857932499999996,
5.179243379948,
6.55356205466
],
[
3.0857932499999996,
3.6796561200520004,
2.558121054660001
],
[
1.0285977499999999,
2.226276879948,
5.43276094534
],
[
1.0285977499999999,
3.... | [
[
4.114391,
0,
2.5193378842953393e-16
],
[
-3.616340972214363e-16,
5.905933,
3.616340972214363e-16
],
[
0,
0,
7.990882
]
] | [
90,
90,
90,
90,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.658431 | 0 | 0 | 62 | 62 | [
"Si",
"Th"
] |
mvc-4117 | mvc-4117 | Ca2FeSbO6 | # generated using pymatgen
data_Ca2FeSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80565400
_cell_length_b 5.50292200
_cell_length_c 5.65099054
_cell_angle_alpha 89.81791216
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ca2FeSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50292200
_cell_length_b 7.80565400
_cell_length_c 5.65099054
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.18208784
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.6566388153676135,
3.1908156949001785,
5.8542405
],
[
2.86424218506737,
2.4601463079337518,
1.9514135000000001
],
[
5.498924290073931,
0.23294395568082024,
5.8542405
],
[
0.02195671036105276,
5.41801804715311,
1.9514135000000001
],
[
2.751460999... | [
[
5.502921999999999,
0,
3.369567906628775e-16
],
[
0.01795900043498366,
5.65096200283393,
3.460233738411486e-16
],
[
0,
0,
7.805654
]
] | [
20,
20,
20,
20,
26,
26,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.518765 | 1.5056 | 0.026876 | 11 | 11 | [
"Ca",
"Fe",
"O",
"Sb"
] |
mp-21289 | mp-21289 | TiZn3 | # generated using pymatgen
data_TiZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92609700
_cell_length_b 3.92609700
_cell_length_c 3.92609700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TiZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92609700
_cell_length_b 3.92609700
_cell_length_c 3.92609700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
-1.2020205310480066e-16,
1.9630485,
1.9630485000000002
],
[
1.9630484999999998,
1.9630485,
2.404041062096013e-16
],
[
1.9630485,
0,
1.9630485000000002
]
] | [
[
3.926097,
0,
2.404041062096013e-16
],
[
-2.404041062096013e-16,
3.926097,
2.404041062096013e-16
],
[
0,
0,
3.926097
]
] | [
22,
30,
30,
30
] | [
1,
1,
1
] | -0.200148 | 0 | 0 | 221 | 221 | [
"Ti",
"Zn"
] |
mp-12922 | mp-12922 | NdPIr | # generated using pymatgen
data_NdPIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70717146
_cell_length_b 7.70717146
_cell_length_c 7.70717146
_cell_angle_alpha 149.04236656
_cell_angle_beta 149.04236656
_cell_angle_gamma 44.34894848
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdPIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11381200
_cell_length_b 4.11381200
_cell_length_c 14.27427999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.749726636544875,
2.9693427144050046,
2.222276636677537
],
[
1.9866051738590478,
0.004648640308183546,
-0.5334063645414965
],
[
1.205298745844629,
1.3015639453354186,
4.352414956016467
],
[
0.13813899843796462,
2.2897953033676925,
0.4988292261541444
]... | [
[
3.9646007049058207,
0,
-1.0979027291939987
],
[
-0.30403828472083677,
3.952925432129095,
-1.0979027286432892
],
[
0,
0,
7.70717146
]
] | [
60,
60,
15,
15,
77,
77
] | [
1,
1,
1
] | -1.146421 | 0 | 0 | 109 | 109 | [
"Ir",
"Nd",
"P"
] |
mp-1188632 | mp-1188632 | Tm5In3 | # generated using pymatgen
data_Tm5In3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57305800
_cell_length_b 8.89771592
_cell_length_c 8.91427278
_cell_angle_alpha 119.93857606
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tm5In3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.90599435
_cell_length_b 8.90599435
_cell_length_c 6.57305800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.286535573058,
2.570137663863421,
4.462650331612996
],
[
3.2865355730579995,
5.140275327726842,
0.01102788322599178
],
[
0.000006573057999685248,
5.140275327726842,
0.01102788322599178
],
[
0.000006573057999842624,
2.570137663863421,
4.462650331612995
... | [
[
6.573058,
0,
4.0248372201549515e-16
],
[
-4.721266295127592e-16,
7.710412991590264,
-4.440594565161012
],
[
0,
0,
8.91427278
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | -0.346819 | 0 | 0.014081 | 193 | 193 | [
"In",
"Tm"
] |
mp-1189615 | mp-1189615 | CsZrUTe5 | # generated using pymatgen
data_CsZrUTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41493400
_cell_length_b 8.59957800
_cell_length_c 10.47265000
_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_CsZrUTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41493400
_cell_length_b 8.59957800
_cell_length_c 10.47265000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.6037334999999997,
4.299789,
8.23323088725
],
[
4.8112005,
4.299789,
2.2394191127500003
],
[
3.207467,
0,
1.9640070974603818e-16
],
[
0,
0,
0
],
[
1.6037335,
0,
3.5643664275
],
[
4.8112005,
0,
6.908283572499999
],
[
... | [
[
6.414934,
0,
3.9280141949207636e-16
],
[
-5.265722835858999e-16,
8.599578,
5.265722835858999e-16
],
[
0,
0,
10.47265
]
] | [
55,
55,
40,
40,
92,
92,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.11444 | 0 | 0 | 51 | 51 | [
"Cs",
"Te",
"U",
"Zr"
] |
mp-5787 | mp-5787 | SrCuO2 | # generated using pymatgen
data_SrCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.32909336
_cell_length_b 8.32909336
_cell_length_c 3.97426300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 154.72550936
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64443800
_cell_length_b 16.25463800
_cell_length_c 3.97426300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3734104598227947,
0.99356575,
2.2566067801225174
],
[
1.1827401220126512,
2.98069725,
5.2751652052012235
],
[
0.2210681009198013,
2.98069725,
0.9859906941920518
],
[
3.335082480915645,
0.99356575,
6.545781291131689
],
[
2.9173983704767443,
... | [
[
3.5561505818354457,
0,
-0.7973213746762594
],
[
6.391102346071818e-16,
3.974263,
2.433534230959879e-16
],
[
0,
0,
8.32909336
]
] | [
38,
38,
29,
29,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.077813 | 0 | 0 | 63 | 63 | [
"Sr",
"Cu",
"O"
] |
mp-865309 | mp-865309 | Tm2CoIr | # generated using pymatgen
data_Tm2CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73913571
_cell_length_b 4.73913571
_cell_length_c 4.73913571
_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_Tm2CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70215000
_cell_length_b 6.70215000
_cell_length_c 6.70215000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.1042119168420035,
2.9021160778256188,
7.108703565000002
],
[
1.3680706389473343,
0.9673720259418729,
2.3695678550000006
],
[
2.736141277894669,
1.9347440518837453,
4.739135710000001
],
[
0,
0,
0
]
] | [
[
4.104211916842003,
0,
2.3695678550000006
],
[
1.3680706389473343,
3.8694881037674915,
2.3695678550000006
],
[
0,
0,
4.73913571
]
] | [
69,
69,
27,
77
] | [
1,
1,
1
] | -0.612147 | 0 | 0.04818 | 225 | 225 | [
"Co",
"Ir",
"Tm"
] |
mp-4181 | mp-4181 | Pr2CuO4 | # generated using pymatgen
data_Pr2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85109716
_cell_length_b 6.85109716
_cell_length_c 6.85109716
_cell_angle_alpha 146.09093752
_cell_angle_beta 146.09093752
_cell_angle_gamma 48.71171001
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99573400
_cell_length_b 3.99573400
_cell_length_c 12.48272201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2521334005468745,
2.472150662586715,
0.5362617535415215
],
[
1.2147033145687993,
1.3333711063600187,
3.98442177359888
],
[
0,
0,
0
],
[
2.7777418376422296,
0.9513804422366835,
2.2603417634552305
],
[
0.6890948774734441,
2.8541413267100504,
... | [
[
3.8220653177266217,
0,
-1.1652068166597387
],
[
-0.35522860261094874,
3.805521768946734,
-1.165206816199861
],
[
0,
0,
6.85109716
]
] | [
59,
59,
29,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.941015 | 0 | 0 | 139 | 139 | [
"Pr",
"Cu",
"O"
] |
mp-574122 | mp-574122 | UAl4 | # generated using pymatgen
data_UAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88678303
_cell_length_b 7.88678303
_cell_length_c 7.88678303
_cell_angle_alpha 147.98307104
_cell_angle_beta 133.38091373
_cell_angle_gamma 57.67392804
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_UAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35002400
_cell_length_b 6.24157600
_cell_length_c 13.81757600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
3.2551357497312994,
3.619545457318021,
3.4588981399182255
],
[
0.21760501211881178,
2.0686302277343747,
0.7584559523129902
],
[
2.403875483140571,
4.127146879100726,
0.4918551891147
],
[
0.6753110299291981,
4.72025295778114,
2.3537769904435875
],
[
... | [
[
4.181334264898969,
0,
-1.1996468471876767
],
[
-0.7085935030488583,
5.6881756850523955,
-2.4697820905811083
],
[
0,
0,
7.88678303
]
] | [
92,
92,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.103043 | 0 | 0.016386 | 74 | 74 | [
"Al",
"U"
] |
mp-1215945 | mp-1215945 | YGa3Cu | # generated using pymatgen
data_YGa3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11386170
_cell_length_b 6.11386170
_cell_length_c 6.11386170
_cell_angle_alpha 140.95571610
_cell_angle_beta 140.95571610
_cell_angle_gamma 56.40501413
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YGa3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08615200
_cell_length_b 4.08615200
_cell_length_c 10.77608200
_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
],
[
2.0654087738920963,
2.343639107922204,
-0.2884826665921933
],
[
1.3017066013929453,
1.4770589418559268,
3.671396403102117
],
[
2.7674033509911298,
0.9551745124445328,
1.691456868475586
],
[
0.5997120242939117,
2.8655235373335985,... | [
[
3.8512490143397384,
0,
-1.3654739813037895
],
[
-0.4841336390546976,
3.820698049778131,
-1.3654739821862856
],
[
0,
0,
6.113861699999999
]
] | [
39,
31,
31,
31,
29
] | [
1,
1,
1
] | -0.466062 | 0 | 0.000425 | 119 | 119 | [
"Cu",
"Ga",
"Y"
] |
mp-1086660 | mp-1086660 | Nb2FeB2 | # generated using pymatgen
data_Nb2FeB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75646000
_cell_length_b 5.75646000
_cell_length_c 3.40402600
_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_Nb2FeB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75646000
_cell_length_b 5.75646000
_cell_length_c 3.40402600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7020129999999998,
3.91266010554,
1.0344301055400003
],
[
1.7020129999999998,
1.8437998944599998,
4.722029894459999
],
[
1.702013,
1.03443010554,
1.8437998944599998
],
[
1.7020129999999998,
4.722029894459999,
3.9126601055400005
],
[
3.404026,
... | [
[
3.404026,
0,
2.084364772557184e-16
],
[
-3.524815156709886e-16,
5.75646,
3.524815156709886e-16
],
[
0,
0,
5.75646
]
] | [
41,
41,
41,
41,
26,
26,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.582042 | 0 | 0.04967 | 127 | 127 | [
"B",
"Fe",
"Nb"
] |
mp-1221335 | mp-1221335 | Na2Mn3Te4 | # generated using pymatgen
data_Na2Mn3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88929811
_cell_length_b 8.88929811
_cell_length_c 7.96310250
_cell_angle_alpha 64.04143326
_cell_angle_beta 64.04143326
_cell_angle_gamma 29.35599561
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na2Mn3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.19839399
_cell_length_b 4.50485600
_cell_length_c 7.96310250
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.90342122
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.6276559207476944,
5.426534345504178,
1.1424236188695014
],
[
0.8968935094006539,
1.8067167709223328,
3.424111214750057
],
[
1.15561659358441,
5.484189475418725,
4.4118501210783245
],
[
-0.3792478401925043,
5.05174404538965,
-1.447871758644639
],
[
... | [
[
4.357840596255904,
0,
-1.1414696254455337
],
[
-0.9130042083553879,
7.101259996864786,
-3.485617764178903
],
[
0,
0,
8.88929811
]
] | [
11,
11,
25,
25,
25,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.53582 | 0 | 0.032069 | 8 | 8 | [
"Mn",
"Na",
"Te"
] |
mp-976326 | mp-976326 | NaInAg2 | # generated using pymatgen
data_NaInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89945521
_cell_length_b 4.89945521
_cell_length_c 4.89945521
_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_NaInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92887601
_cell_length_b 6.92887601
_cell_length_c 6.92887601
_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
],
[
2.8287017843760154,
2.000194213686765,
4.899455209999999
],
[
1.4143508921880084,
1.000097106843382,
2.449727605000001
],
[
4.243052676564022,
3.000291320530149,
7.349182815
]
] | [
[
4.243052676564021,
0,
2.4497276050000005
],
[
1.414350892188007,
4.000388427373533,
2.449727605
],
[
0,
0,
4.899455209999999
]
] | [
11,
49,
47,
47
] | [
1,
1,
1
] | -0.072212 | 0 | 0.015575 | 225 | 225 | [
"Ag",
"In",
"Na"
] |
mp-1206136 | mp-1206136 | BaPrFeCuO5 | # generated using pymatgen
data_BaPrFeCuO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96020200
_cell_length_b 3.96020200
_cell_length_c 7.98722200
_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_BaPrFeCuO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96020200
_cell_length_b 3.96020200
_cell_length_c 7.98722200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.9801009999999999,
1.980101,
6.10806828006
],
[
1.9801009999999999,
1.980101,
1.879441259932
],
[
0,
0,
3.8827243969740004
],
[
0,
0,
0.10753196978599999
],
[
1.980101,
0,
0.30301922823600014
],
[
-1.2124621758192366e-16,
1.9... | [
[
3.960202,
0,
2.424924351638473e-16
],
[
-2.424924351638473e-16,
3.960202,
2.424924351638473e-16
],
[
0,
0,
7.987222
]
] | [
56,
59,
26,
29,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.419098 | 0 | 0.002051 | 99 | 99 | [
"Ba",
"Cu",
"Fe",
"O",
"Pr"
] |
mp-555954 | mp-555954 | BaSnHgS4 | # generated using pymatgen
data_BaSnHgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46951818
_cell_length_b 6.46951818
_cell_length_c 11.09067000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.18815644
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaSnHgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74250399
_cell_length_b 11.04342799
_cell_length_c 11.09067000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.336335862767823,
5.464525476541118,
5.545335000000001
],
[
3.336335862767823,
5.464525476541118,
7.523363772843736e-16
],
[
3.6257018955366855,
1.4487531298156575,
2.772667499999999
],
[
-0.3679525838496386,
3.887056825219738,
8.3180025
],
[
0.... | [
[
6.46951818,
0,
3.961437365581305e-16
],
[
-2.9560138619968686,
5.75470655455453,
3.961437365581305e-16
],
[
0,
0,
11.09067
]
] | [
56,
56,
50,
50,
80,
80,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.142593 | 1.8593 | 0 | 40 | 40 | [
"Ba",
"Hg",
"S",
"Sn"
] |
mp-1018758 | mp-1018758 | LaZnIn | # generated using pymatgen
data_LaZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81056432
_cell_length_b 4.81056432
_cell_length_c 7.85949900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000440
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81056432
_cell_length_b 4.81056432
_cell_length_c 7.85949900
_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,
3.9297495
],
[
0,
0,
0
],
[
2.405282000034359,
1.3886903333384049,
1.964874750000001
],
[
-8.441604452520668e-16,
2.77738066667681,
5.894624250000001
],
[
2.405282000034359,
1.3886903333384049,
5.894624250000001
],
[
-8.4416... | [
[
4.810564000068718,
0,
1.362721873100719e-15
],
[
-2.40528200003436,
4.166071000015215,
2.945621098290232e-16
],
[
0,
0,
7.859499
]
] | [
57,
57,
30,
30,
49,
49
] | [
1,
1,
1
] | -0.454013 | 0 | 0 | 194 | 194 | [
"In",
"La",
"Zn"
] |
mp-1205500 | mp-1205500 | Sm3(AgSn)4 | # generated using pymatgen
data_Sm3(AgSn)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.90513341
_cell_length_b 8.90513341
_cell_length_c 8.90513341
_cell_angle_alpha 149.68960666
_cell_angle_beta 130.78311526
_cell_angle_gamma 58.90212912
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sm3(AgSn)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65621800
_cell_length_b 7.41645800
_cell_length_c 15.50875201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.054036788258203204,
4.209270500903483,
0.19950487042284548
],
[
3.603757647040722,
2.481499565194793,
4.400009978079948
],
[
0,
0,
0
],
[
2.705315860457239,
2.436557662660812,
1.082936506181882
],
[
0.9524785748416875,
4.254212403437466,
... | [
[
4.494280431398631,
0,
-1.2172959732532036
],
[
-0.8364859960997058,
6.690770066098277,
-3.088322588244002
],
[
0,
0,
8.90513341
]
] | [
62,
62,
62,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.535662 | 0 | 0 | 71 | 71 | [
"Ag",
"Sm",
"Sn"
] |
mp-864795 | mp-864795 | Ac2SnHg | # generated using pymatgen
data_Ac2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77057399
_cell_length_b 5.77057399
_cell_length_c 5.77057399
_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_Ac2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16082400
_cell_length_b 8.16082400
_cell_length_c 8.16082400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.665821223252576,
1.1779134832063654,
2.8852869949999995
],
[
4.99746366975773,
3.5337404496190987,
8.655860985
],
[
0,
0,
0
],
[
3.3316424465051533,
2.355826966412732,
5.770573990000001
]
] | [
[
4.997463669757729,
0,
2.8852869950000004
],
[
1.6658212232525764,
4.711653932825466,
2.8852869950000004
],
[
0,
0,
5.77057399
]
] | [
89,
89,
50,
80
] | [
1,
1,
1
] | -0.5503 | 0 | 0 | 225 | 225 | [
"Ac",
"Sn",
"Hg"
] |
mp-20418 | mp-20418 | SiRh2 | # generated using pymatgen
data_SiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97244500
_cell_length_b 5.50540000
_cell_length_c 7.44653100
_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_SiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97244500
_cell_length_b 5.50540000
_cell_length_c 7.44653100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
0.9931112499999999,
1.5293395606,
6.659239063494001
],
[
2.9793337499999994,
3.9760604394000003,
0.7872919365060005
],
[
0.9931112499999998,
4.2820395605999995,
4.510557436506001
],
[
2.97933375,
1.2233604394,
2.9359735634940005
],
[
2.97933375,
... | [
[
3.972445,
0,
2.432421027019454e-16
],
[
-3.371085244012919e-16,
5.5054,
3.371085244012919e-16
],
[
0,
0,
7.446531
]
] | [
14,
14,
14,
14,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.716498 | 0 | 0 | 62 | 62 | [
"Si",
"Rh"
] |
mp-1183208 | mp-1183208 | AlGa3 | # generated using pymatgen
data_AlGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28903940
_cell_length_b 5.28903940
_cell_length_c 5.28903940
_cell_angle_alpha 135.11520819
_cell_angle_beta 135.11520819
_cell_angle_gamma 65.35124461
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03822800
_cell_length_b 4.03822800
_cell_length_c 8.90399800
_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
],
[
2.640105687386319,
0.9194183189303101,
1.1029084411386971
],
[
0.4555410840390667,
2.7582549567909305,
1.10290844118897
],
[
1.5478233857126928,
1.8388366378606207,
-1.5416112588361666
]
] | [
[
3.732387989059945,
0,
-1.5416112588864392
],
[
-0.6367412176345595,
3.6776732757212405,
-1.5416112587858934
],
[
0,
0,
5.2890394
]
] | [
13,
31,
31,
31
] | [
1,
1,
1
] | 0.045143 | 0 | 0.045143 | 139 | 139 | [
"Al",
"Ga"
] |
mp-1106076 | mp-1106076 | Zr5NiSb3 | # generated using pymatgen
data_Zr5NiSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.58158800
_cell_length_b 8.58158782
_cell_length_c 5.79387500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000071
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Zr5NiSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.58158791
_cell_length_b 8.58158791
_cell_length_c 5.79387500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.4484687500000006,
1.9157585355995839,
-1.1060636440045484
],
[
1.4484687500000022,
5.516114624041284,
3.184730354210797
],
[
1.4484687500000029,
7.431873159640869,
-2.0786663460171138
],
[
4.345406250000002,
5.516114624041284,
-3.184730083900882
],
... | [
[
5.793875,
0,
3.5477252367049355e-16
],
[
2.8453436953396357e-15,
7.431873159640869,
-4.290793727905434
],
[
0,
0,
8.58158782
]
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
28,
28,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.774842 | 0 | 0 | 193 | 193 | [
"Ni",
"Sb",
"Zr"
] |
mp-10162 | mp-10162 | La3Si2 | # generated using pymatgen
data_La3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93297700
_cell_length_b 7.93297700
_cell_length_c 4.43909500
_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_La3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93297700
_cell_length_b 7.93297700
_cell_length_c 4.43909500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2195474999999996,
6.537399753182999,
5.362065746817
],
[
2.2195475,
2.5709112531829996,
6.537399753182999
],
[
2.2195475,
1.3955772468169998,
2.570911253183
],
[
2.2195474999999996,
5.362065746816999,
1.3955772468170002
],
[
-2.428773722689892e... | [
[
4.439095,
0,
2.71816174143051e-16
],
[
-4.857547445379787e-16,
7.932977,
4.857547445379787e-16
],
[
0,
0,
7.932977
]
] | [
57,
57,
57,
57,
57,
57,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.601033 | 0 | 0.005175 | 127 | 127 | [
"La",
"Si"
] |
mp-570784 | mp-570784 | Hf2Al3C4 | # generated using pymatgen
data_Hf2Al3C4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33529818
_cell_length_b 3.33529818
_cell_length_c 22.16093600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000348
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Hf2Al3C4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33529818
_cell_length_b 3.33529818
_cell_length_c 22.16093600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.7262865194497976e-16,
1.9256353358135903,
20.883313717728
],
[
1.6676490022813546,
0.962817667906795,
1.277622282272004
],
[
1.6676490022813546,
0.962817667906795,
9.802845717728
],
[
1.7262865194497976e-16,
1.9256353358135903,
12.358090282272
],
[... | [
[
3.3352980045627083,
0,
9.448130290048856e-16
],
[
-1.6676490022813544,
2.888453003720385,
2.0422811201694964e-16
],
[
0,
0,
22.160936
]
] | [
72,
72,
72,
72,
13,
13,
13,
13,
13,
13,
6,
6,
6,
6,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.493379 | 0 | 0 | 194 | 194 | [
"Hf",
"Al",
"C"
] |
mp-1219977 | mp-1219977 | PrCuGe | # generated using pymatgen
data_PrCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23897608
_cell_length_b 4.23897608
_cell_length_c 4.15710900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000132
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23897608
_cell_length_b 4.23897608
_cell_length_c 4.15710900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.157109000000001,
2.4473739483233845,
5.6383448128213346e-8
],
[
2.0785545,
1.2236869741616923,
2.1194880681917243
],
[
2.0785545,
0,
1.2727475576391636e-16
]
] | [
[
4.157109,
0,
2.545495115278327e-16
],
[
1.4054908939680257e-15,
3.6710609224850765,
-2.1194879554248276
],
[
0,
0,
4.23897608
]
] | [
59,
29,
32
] | [
1,
1,
1
] | -0.611664 | 0 | 0 | 187 | 187 | [
"Cu",
"Ge",
"Pr"
] |
mp-979962 | mp-979962 | AcYbCd2 | # generated using pymatgen
data_AcYbCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60883180
_cell_length_b 5.60883180
_cell_length_c 5.60883180
_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_AcYbCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93208600
_cell_length_b 7.93208600
_cell_length_c 7.93208600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2382605495693326,
2.289795993849352,
5.608831799999999
],
[
0,
0,
0
],
[
1.619130274784666,
1.1448979969246755,
2.8044159
],
[
4.857390824353999,
3.434693990774028,
8.4132477
]
] | [
[
4.857390824354,
0,
2.8044158999999995
],
[
1.6191302747846656,
4.579591987698704,
2.8044158999999995
],
[
0,
0,
5.6088318
]
] | [
89,
70,
48,
48
] | [
1,
1,
1
] | -0.363422 | 0 | 0 | 225 | 225 | [
"Ac",
"Yb",
"Cd"
] |
mp-27934 | mp-27934 | CdBr2 | # generated using pymatgen
data_CdBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07383783
_cell_length_b 4.07383783
_cell_length_c 14.25503700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999720
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CdBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07383783
_cell_length_b 4.07383783
_cell_length_c 14.25503700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.634012597627228e-16,
2.352031334604503,
1.782335786184001
],
[
2.0369190012064515,
1.1760156673022515,
8.909854286184002
],
[
0,
0,
3.3498766748520015
],
[
0,
0,
10.477395174852
],
[
2.0369190012064515,
1.1760156673022515,
0.21342641396... | [
[
4.073838002412904,
0,
1.1540243832693425e-15
],
[
-2.0369190012064515,
3.528047001906754,
2.4945062293774506e-16
],
[
0,
0,
14.255037
]
] | [
48,
48,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.238541 | 2.9397 | 0 | 186 | 186 | [
"Cd",
"Br"
] |
mp-675010 | mp-675010 | CsHgCl3 | # generated using pymatgen
data_CsHgCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43033600
_cell_length_b 6.43033600
_cell_length_c 8.83519200
_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_CsHgCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43033600
_cell_length_b 6.43033600
_cell_length_c 8.83519200
_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
],
[
3.215168,
3.215168,
3.937445199920997e-16
],
[
-1.9687225999604985e-16,
3.215168,
3.357832389984
],
[
3.215168,
0,
5.477359610016
],
[
-1.9687225999604985e-16,
3.215168,
0.5326913960640002
],
[
1.6899180221439996,
... | [
[
6.430336,
0,
3.937445199920997e-16
],
[
-3.937445199920997e-16,
6.430336,
3.937445199920997e-16
],
[
0,
0,
8.835192
]
] | [
55,
55,
80,
80,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.477413 | 2.0746 | 0.079328 | 113 | 113 | [
"Cl",
"Cs",
"Hg"
] |
mp-1095035 | mp-1095035 | Eu2InPt2 | # generated using pymatgen
data_Eu2InPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90638868
_cell_length_b 5.90638868
_cell_length_c 8.40391048
_cell_angle_alpha 77.72207193
_cell_angle_beta 77.72207193
_cell_angle_gamma 59.70485459
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu2InPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.24534400
_cell_length_b 5.88002000
_cell_length_c 8.40391048
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.19293716
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-0.8439504508063129,
3.4977242087980103,
2.0753649884352696
],
[
2.09605955001691,
1.4685812087041448,
0.8705731599691111
],
[
3.7839604516295338,
1.4685812087041448,
5.072528399969111
],
[
0.8439504508063098,
3.4977242087980103,
6.2773202284352685
],
... | [
[
5.880020001646444,
0,
3.600473836969366e-16
],
[
-2.940010000823224,
4.966305417502155,
-1.25601709159562
],
[
0,
0,
8.40391048
]
] | [
63,
63,
63,
63,
49,
49,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.880423 | 0 | 0 | 15 | 15 | [
"Eu",
"In",
"Pt"
] |
mp-1215285 | mp-1215285 | ZrCrCuSe4 | # generated using pymatgen
data_ZrCrCuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60437910
_cell_length_b 7.60437910
_cell_length_c 7.60437910
_cell_angle_alpha 120.61806803
_cell_angle_beta 119.26149908
_cell_angle_gamma 90.10833714
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_ZrCrCuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53322800
_cell_length_b 7.68910400
_cell_length_c 10.74404400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.1082568982781107,
3.1264042296646486,
1.8584963315226581
],
[
4.3803507313647,
3.1264042296646486,
3.724181990054208
],
[
4.3803507313647,
3.1264042296646486,
7.526371540037028
],
[
3.2720938330865894,
5.45748236344794e-16,
1.86568565853155
],
[
... | [
[
6.544187666173179,
0,
3.7313713170630995
],
[
2.2165137965562214,
6.252808459329297,
3.7169926630453163
],
[
0,
0,
7.604379099965639
]
] | [
40,
40,
24,
24,
29,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.051019 | 0 | 0.029773 | 74 | 74 | [
"Cr",
"Cu",
"Se",
"Zr"
] |
mp-1206153 | mp-1206153 | Eu2ZrO4 | # generated using pymatgen
data_Eu2ZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96102330
_cell_length_b 6.96102330
_cell_length_c 6.96102330
_cell_angle_alpha 145.15971465
_cell_angle_beta 145.15971465
_cell_angle_gamma 50.09657712
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Eu2ZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16793000
_cell_length_b 4.16793000
_cell_length_c 12.61269601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2652764114566084,
1.396627426368099,
4.0325333604833835
],
[
2.319979960423578,
2.560821976932163,
0.4329314922899312
],
[
0,
0,
0
],
[
0.6050263537802689,
0.6678354166045323,
1.9282655817331078
],
[
2.9802300180999177,
3.2896139866957292,
... | [
[
3.9767684753994508,
0,
-1.2477792236038878
],
[
-0.391512103519264,
3.957449403300263,
-1.247779223622796
],
[
0,
0,
6.9610233
]
] | [
63,
63,
40,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.418002 | 0.1134 | 0.073417 | 139 | 139 | [
"Eu",
"O",
"Zr"
] |
mp-13010 | mp-13010 | YSn2 | # generated using pymatgen
data_YSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50759767
_cell_length_b 8.50759767
_cell_length_c 4.37381000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.74881833
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43987200
_cell_length_b 16.42572400
_cell_length_c 4.37381000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
1.0934525,
0.42407113894319415,
1.5688825518019605
],
[
3.2803575000000005,
3.8619910289363033,
5.780201334382095
],
[
1.0934525000000002,
1.8714043087082444,
6.923436232352526
],
[
3.2803575000000005,
2.414653573113371,
0.42564030475499154
],
[
... | [
[
4.37381,
0,
2.6781862082893423e-16
],
[
6.892506757582408e-16,
4.286057881821615,
-1.1585211328924812
],
[
0,
0,
8.50759767
]
] | [
39,
39,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.610099 | 0 | 0 | 63 | 63 | [
"Y",
"Sn"
] |
mp-1008881 | mp-1008881 | MgNiH | # generated using pymatgen
data_MgNiH
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08811700
_cell_length_b 3.08811700
_cell_length_c 3.25702400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MgNiH
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08811700
_cell_length_b 3.08811700
_cell_length_c 3.25702400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
0,
0,
0
],
[
1.5440585,
1.5440585,
1.6285120000000002
],
[
1.5440585,
1.5440585,
1.8909262997212634e-16
]
] | [
[
3.088117,
0,
1.8909262997212634e-16
],
[
-1.8909262997212634e-16,
3.088117,
1.8909262997212634e-16
],
[
0,
0,
3.257024
]
] | [
12,
28,
1
] | [
1,
1,
1
] | -0.249049 | 0 | 0.03838 | 123 | 123 | [
"Mg",
"Ni",
"H"
] |
mp-28077 | mp-28077 | PbBr2 | # generated using pymatgen
data_PbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75394200
_cell_length_b 8.23671400
_cell_length_c 10.15750900
_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_PbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75394200
_cell_length_b 8.23671400
_cell_length_c 10.15750900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1884854999999996,
6.026218827105999,
9.427519300697
],
[
3.5654565000000003,
2.210495172894,
0.7299896993030003
],
[
1.1884854999999999,
1.9078618271059997,
5.808744199303
],
[
3.5654565,
6.328852172894,
4.348764800697
],
[
1.1884854999999999,
... | [
[
4.753942,
0,
2.9109499268160835e-16
],
[
-5.043532717796096e-16,
8.236714,
5.043532717796096e-16
],
[
0,
0,
10.157509
]
] | [
82,
82,
82,
82,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.266206 | 3.0529 | 0.016289 | 62 | 62 | [
"Pb",
"Br"
] |
mp-1223972 | mp-1223972 | HoAlCu4 | # generated using pymatgen
data_HoAlCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15930371
_cell_length_b 5.15930371
_cell_length_c 4.00801500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999634
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoAlCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15930371
_cell_length_b 5.15930371
_cell_length_c 4.00801500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.008015000000001,
1.4893627478283362,
2.5796517598609237
],
[
0,
0,
0
],
[
4.008015000000001,
2.9787254956566707,
-1.9027815245064014e-7
],
[
2.0040075000000006,
1.4996646699550638,
0.000002483854701601156
],
[
2.0040075000000015,
3.71825814... | [
[
4.008015,
0,
2.45420137034229e-16
],
[
1.7106382793050185e-15,
4.468088243485005,
-2.579652140417229
],
[
0,
0,
5.15930371
]
] | [
67,
13,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.250995 | 0 | 0.043047 | 187 | 187 | [
"Al",
"Cu",
"Ho"
] |
mp-973734 | mp-973734 | Lu2InHg | # generated using pymatgen
data_Lu2InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20732526
_cell_length_b 5.20732526
_cell_length_c 5.20732526
_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_Lu2InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36427001
_cell_length_b 7.36427001
_cell_length_c 7.36427001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.509675960928407,
3.188822452926437,
7.810987890000001
],
[
1.5032253203094692,
1.062940817642146,
2.6036626300000005
],
[
0,
0,
0
],
[
3.006450640618938,
2.125881635284291,
5.207325260000001
]
] | [
[
4.509675960928407,
0,
2.6036626300000005
],
[
1.503225320309469,
4.251763270568582,
2.6036626300000005
],
[
0,
0,
5.20732526
]
] | [
71,
71,
49,
80
] | [
1,
1,
1
] | -0.416101 | 0 | 0.01231 | 225 | 225 | [
"Lu",
"In",
"Hg"
] |
mp-1221363 | mp-1221363 | Mn5Sb4 | # generated using pymatgen
data_Mn5Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27569147
_cell_length_b 4.27733700
_cell_length_c 10.95754600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 59.98726049
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn5Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27569122
_cell_length_b 4.27569122
_cell_length_c 10.95754600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.2756674592975425,
0.000011111421954828089,
8.217271938774001
],
[
4.275620439863639,
0.00004074188050131046,
2.754694191761999
],
[
4.2756674592975425,
0.000011111421954828089,
0.0008875612260002371
],
[
4.275620439863639,
0.00004074188050131046,
5.463... | [
[
4.2756909706603405,
0,
2.618105630681213e-16
],
[
-2.136199638491049,
3.7038073183065925,
2.618105936438571e-16
],
[
0,
0,
10.957546
]
] | [
25,
25,
25,
25,
25,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.04689 | 0 | 0.065425 | 187 | 187 | [
"Mn",
"Sb"
] |
mp-5696 | mp-5696 | La2Cu2O5 | # generated using pymatgen
data_La2Cu2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92537400
_cell_length_b 5.48569700
_cell_length_c 10.54424800
_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_La2Cu2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92537400
_cell_length_b 5.48569700
_cell_length_c 10.54424800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.962687,
1.0646805308510001,
9.099654391256
],
[
1.9626869999999998,
4.421016469149,
1.4445936087440006
],
[
1.9626869999999998,
3.807529030851,
6.716717608744
],
[
1.962687,
1.678167969149,
3.8275303912560004
],
[
-6.84518020321753e-17,
1.1... | [
[
3.925374,
0,
2.4035983522781214e-16
],
[
-3.359020636071119e-16,
5.485697,
3.359020636071119e-16
],
[
0,
0,
10.544248
]
] | [
57,
57,
57,
57,
29,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.524494 | 0 | 0.051163 | 55 | 55 | [
"Cu",
"La",
"O"
] |
mp-1213018 | mp-1213018 | DyFe6(Sn2Ge)2 | # generated using pymatgen
data_DyFe6(Sn2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28785632
_cell_length_b 5.28785632
_cell_length_c 8.68160300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000404
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_DyFe6(Sn2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28785632
_cell_length_b 5.28785632
_cell_length_c 8.68160300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
0,
0,
0
],
[
-1.3322676295501878e-15,
4.579417997895501,
2.017873666893002
],
[
-1.3322676295501878e-15,
4.579417997895501,
6.6637293331070016
],
[
-1.3219639992748207,
2.2897089989477504,
2.0178736668930006
],
[
-1.3219639992748207,
2.289708... | [
[
5.28785599709928,
0,
1.4979276918363557e-15
],
[
-2.6439279985496413,
4.579417997895501,
3.2378781583195512e-16
],
[
0,
0,
8.681603
]
] | [
66,
26,
26,
26,
26,
26,
26,
50,
50,
50,
50,
32,
32
] | [
1,
1,
1
] | -0.187073 | 0 | 0.018218 | 191 | 191 | [
"Dy",
"Fe",
"Ge",
"Sn"
] |
mp-12732 | mp-12732 | Dy3(CuSi)4 | # generated using pymatgen
data_Dy3(CuSi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87347206
_cell_length_b 7.87347206
_cell_length_c 7.87347206
_cell_angle_alpha 149.49536754
_cell_angle_beta 130.90583485
_cell_angle_gamma 58.90852587
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Dy3(CuSi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14255200
_cell_length_b 6.54192400
_cell_length_c 13.71162800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.420748155571354,
0.766123665007251,
1.0043151054508077
],
[
0.8348188517382157,
5.138217290380177,
3.0615923729668637
],
[
1.6277835036547854,
2.952170477693714,
-1.9037822907911641
],
[
0.31896248315300557,
2.824117131053271,
1.1697466233326352
],
... | [
[
3.996637605941787,
0,
-1.0897820518722294
],
[
-0.7410705986322175,
5.904340955387428,
-2.7177825297100986
],
[
0,
0,
7.87347206
]
] | [
66,
66,
66,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.611055 | 0 | 0 | 71 | 71 | [
"Cu",
"Dy",
"Si"
] |
mp-1219258 | mp-1219258 | Si3Mo3W2 | # generated using pymatgen
data_Si3Mo3W2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92780200
_cell_length_b 7.29171703
_cell_length_c 7.29171703
_cell_angle_alpha 96.75468427
_cell_angle_beta 109.74923119
_cell_angle_gamma 70.25076881
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Si3Mo3W2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92780200
_cell_length_b 9.68663600
_cell_length_c 9.72432000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.159487848504861,
0,
7.707998140999423
],
[
3.478463545514583,
0,
1.2488433338807412
],
[
1.939356849856871,
3.44471275509115,
1.8899256079822615
],
[
5.026574223817321,
3.4180577544321618,
7.874398863823374
],
[
3.4904771592663386,
5.725959... | [
[
4.637951394019444,
0,
1.6651244451743217
],
[
2.327979679654747,
6.862770509523312,
0.8074829969254724
],
[
0,
0,
7.2917170297058425
]
] | [
14,
14,
14,
14,
14,
14,
42,
42,
42,
42,
42,
42,
74,
74,
74,
74
] | [
1,
1,
1
] | -0.28509 | 0 | 0.035347 | 72 | 72 | [
"Mo",
"Si",
"W"
] |
mp-1187355 | mp-1187355 | TbMgTl2 | # generated using pymatgen
data_TbMgTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29170289
_cell_length_b 5.29170289
_cell_length_c 5.29170289
_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_TbMgTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48359800
_cell_length_b 7.48359800
_cell_length_c 7.48359800
_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
],
[
3.05516608801302,
2.160328658485183,
5.291702889999999
],
[
4.58274913201953,
3.240492987727775,
7.937554334999999
],
[
1.5275830440065115,
1.0801643292425906,
2.6458514450000004
]
] | [
[
4.58274913201953,
0,
2.645851445
],
[
1.5275830440065092,
4.320657316970366,
2.645851445
],
[
0,
0,
5.291702889999999
]
] | [
65,
12,
81,
81
] | [
1,
1,
1
] | -0.216077 | 0 | 0.039551 | 225 | 225 | [
"Mg",
"Tb",
"Tl"
] |
mp-510687 | mp-510687 | DyAgPb | # generated using pymatgen
data_DyAgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82811677
_cell_length_b 4.82811677
_cell_length_c 7.51836400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001058
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyAgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82811677
_cell_length_b 4.82811677
_cell_length_c 7.51836400
_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,
7.501019134252
],
[
0,
0,
3.7418371342520005
],
[
2.4140579989518756,
1.3937573327142119,
1.3367951926560007
],
[
7.835171031273421e-16,
2.787514665428424,
5.095977192656001
],
[
2.4140579989518756,
1.3937573327142119,
5.81171792709... | [
[
4.82811599790375,
0,
1.3676939494240095e-15
],
[
-2.4140579989518747,
4.181271998142636,
2.956368874145079e-16
],
[
0,
0,
7.518364
]
] | [
66,
66,
47,
47,
82,
82
] | [
1,
1,
1
] | -0.403188 | 0 | 0 | 186 | 186 | [
"Ag",
"Dy",
"Pb"
] |
mp-20069 | mp-20069 | CoPb2WO6 | # generated using pymatgen
data_CoPb2WO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72539040
_cell_length_b 8.03104890
_cell_length_c 5.77952592
_cell_angle_alpha 89.82161515
_cell_angle_beta 90.00331238
_cell_angle_gamma 90.00033494
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoPb2WO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.87986060
_cell_length_b 5.72539040
_cell_length_c 5.77952592
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.62302820
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.8625453639184513,
2.889783626534689,
8.022044451708187
],
[
5.725373222394889,
0.000023117991596377118,
4.015525723248523
],
[
2.8623243388105535,
5.723488784954464,
6.004809216840382
],
[
5.725152237369441,
2.833034736663479,
1.9921408641990084
],
... | [
[
5.725390399902172,
0,
0.00003346952038796261
],
[
-0.00033402039942316325,
5.779497899094589,
-0.01799396408386255
],
[
0,
0,
8.0310489
]
] | [
27,
27,
82,
82,
82,
82,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.754631 | 1.9432 | 0.028545 | 12 | 12 | [
"Co",
"O",
"Pb",
"W"
] |
mp-864671 | mp-864671 | HfAlRh2 | # generated using pymatgen
data_HfAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46215067
_cell_length_b 4.46215067
_cell_length_c 4.46215067
_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_HfAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31043399
_cell_length_b 6.31043399
_cell_length_c 6.31043399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5762238904891674,
1.821665382819681,
4.462150669999999
],
[
0,
0,
0
],
[
1.288111945244584,
0.91083269140984,
2.231075335
],
[
3.864335835733752,
2.7324980742295213,
6.693226005
]
] | [
[
3.864335835733753,
0,
2.2310753350000003
],
[
1.2881119452445835,
3.643330765639362,
2.2310753350000003
],
[
0,
0,
4.462150669999999
]
] | [
72,
13,
45,
45
] | [
1,
1,
1
] | -1.020764 | 0 | 0 | 225 | 225 | [
"Hf",
"Al",
"Rh"
] |
mp-1225351 | mp-1225351 | Dy4MnSe7 | # generated using pymatgen
data_Dy4MnSe7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84640681
_cell_length_b 6.84640681
_cell_length_c 12.04010476
_cell_angle_alpha 75.74084588
_cell_angle_beta 75.74084588
_cell_angle_gamma 33.64662726
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Dy4MnSe7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.10678600
_cell_length_b 3.96299200
_cell_length_c 12.04010476
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.91115995
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
9.177493833810585e-16,
3.883878762511938,
1.4186520541123888
],
[
1.9814959998861372,
2.4544839130422704,
9.000457374114543
],
[
3.5994836158843707e-20,
0.006459368172655414,
0.07083361901802024
],
[
1.981495999886137,
4.888171193654148,
5.51981651676034... | [
[
3.962991999772274,
0,
2.426632733783842e-16
],
[
-1.981495999886137,
6.33271389476008,
-1.6863257507261826
],
[
0,
0,
12.04010476
]
] | [
66,
66,
66,
66,
25,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.871733 | 0.4642 | 0.012949 | 8 | 8 | [
"Dy",
"Mn",
"Se"
] |
mp-1077365 | mp-1077365 | YTe2 | # generated using pymatgen
data_YTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45169800
_cell_length_b 4.45169800
_cell_length_c 8.91608700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YT... | # generated using pymatgen
data_YTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45169800
_cell_length_b 4.45169800
_cell_length_c 8.91608700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YT... | [
[
-1.3629394266176687e-16,
2.225849,
6.497981792991
],
[
2.225849,
0,
2.418105207009
],
[
0,
0,
0
],
[
2.225849,
2.225849,
2.7258788532353374e-16
],
[
-1.3629394266176687e-16,
2.225849,
3.2997724700039996
],
[
2.225849,
0,
5... | [
[
4.451698,
0,
2.7258788532353374e-16
],
[
-2.7258788532353374e-16,
4.451698,
2.7258788532353374e-16
],
[
0,
0,
8.916087
]
] | [
39,
39,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.44129 | 0 | 0.050741 | 129 | 129 | [
"Te",
"Y"
] |
mp-1217726 | mp-1217726 | Tb2VFeO6 | # generated using pymatgen
data_Tb2VFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67189100
_cell_length_b 5.36070900
_cell_length_c 9.41232826
_cell_angle_alpha 55.22685677
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tb2VFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36070900
_cell_length_b 5.67189100
_cell_length_c 9.41232826
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.77314323
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.574345296839025,
3.230567316325,
1.9278116879578864
],
[
0.10600797177363105,
0.39462181632500004,
1.9353423277176802
],
[
2.7863612403862867,
2.441323683675,
5.798496343393248
],
[
5.254698565451682,
5.277269183674999,
5.790965703633452
],
[
2... | [
[
5.360706537225313,
0,
-0.00513852418437906
],
[
-3.4730315791313397e-16,
5.671891,
3.4730315791313397e-16
],
[
0,
0,
7.731446555535512
]
] | [
65,
65,
65,
65,
23,
23,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.079997 | 1.4907 | 0 | 14 | 14 | [
"Fe",
"O",
"Tb",
"V"
] |
mp-21153 | mp-21153 | ErGeIr | # generated using pymatgen
data_ErGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29707400
_cell_length_b 6.82896700
_cell_length_c 7.60653300
_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_ErGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29707400
_cell_length_b 6.82896700
_cell_length_c 7.60653300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2228055,
3.377484156794,
6.147622790199001
],
[
1.0742685,
0.036999343206,
2.344356290199
],
[
3.2228054999999998,
6.791967656793999,
5.262176709801
],
[
1.0742684999999998,
3.451482843206,
1.4589102098010003
],
[
1.0742684999999998,
5.3960... | [
[
4.297074,
0,
2.631198959899657e-16
],
[
-4.1815362890164514e-16,
6.828967,
4.1815362890164514e-16
],
[
0,
0,
7.606533
]
] | [
68,
68,
68,
68,
32,
32,
32,
32,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.950717 | 0 | 0 | 62 | 62 | [
"Er",
"Ge",
"Ir"
] |
mp-16520 | mp-16520 | NpAl4 | # generated using pymatgen
data_NpAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88104558
_cell_length_b 7.88104558
_cell_length_c 7.88104558
_cell_angle_alpha 147.41325710
_cell_angle_beta 134.11670339
_cell_angle_gamma 57.40487134
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NpAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42214400
_cell_length_b 6.14396000
_cell_length_c 13.82533600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.13909656883058785,
4.822168393779019,
-0.475877534182174
],
[
3.68362750965133,
0.7923487289443327,
4.7213901442503925
],
[
1.4222605537354074,
5.614517122723352,
4.865841390283542
],
[
1.772265470410371,
2.807258561361676,
-1.8177664849658903
],
... | [
[
4.24454077417067,
0,
-1.2406575604306458
],
[
-0.7000098333499274,
5.614517122723352,
-2.394875409501135
],
[
0,
0,
7.88104558
]
] | [
93,
93,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.103558 | 0 | 0 | 74 | 74 | [
"Al",
"Np"
] |
mp-1232292 | mp-1232292 | Mg(AlGe)2 | # generated using pymatgen
data_Mg(AlGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12770441
_cell_length_b 4.12770441
_cell_length_c 6.80275100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000662
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Mg(AlGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12770441
_cell_length_b 4.12770441
_cell_length_c 6.80275100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
-1.4850233634262142e-15,
2.3831313317350764,
4.3032162000700005
],
[
2.0638519984883343,
1.1915656658675382,
2.499534799930001
],
[
-1.4850233634262142e-15,
2.3831313317350764,
1.6506671218970002
],
[
2.0638519984883343,
1.191565... | [
[
4.12770399697667,
0,
1.169283377642418e-15
],
[
-2.063851998488337,
3.574696997602614,
2.5274899967664567e-16
],
[
0,
0,
6.802751
]
] | [
12,
13,
13,
32,
32
] | [
1,
1,
1
] | -0.082703 | 0 | 0 | 164 | 164 | [
"Al",
"Ge",
"Mg"
] |
mp-1079623 | mp-1079623 | TaMnSi | # generated using pymatgen
data_TaMnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40731513
_cell_length_b 6.40731513
_cell_length_c 3.47673100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001168
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TaMnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40731513
_cell_length_b 6.40731513
_cell_length_c 3.47673100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7383655000000013,
3.270431120971874,
1.8881851769819584
],
[
1.7383655,
4.83058411580101e-17,
2.63094610942008
],
[
1.738365500000001,
2.27846589858053,
-1.3154725902345845
],
[
3.4767310000000005,
1.367625550615042,
0.789599351527
],
[
3.47673... | [
[
3.476731,
0,
2.1288837453231882e-16
],
[
2.1244333442627376e-15,
5.548897019552404,
-3.203656433832547
],
[
0,
0,
6.40731513
]
] | [
73,
73,
73,
25,
25,
25,
14,
14,
14
] | [
1,
1,
1
] | -0.528509 | 0 | 0.019046 | 189 | 189 | [
"Mn",
"Si",
"Ta"
] |
mp-555908 | mp-555908 | CoF2 | # generated using pymatgen
data_CoF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21855600
_cell_length_b 4.74679700
_cell_length_c 4.74679700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co... | # generated using pymatgen
data_CoF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74679700
_cell_length_b 4.74679700
_cell_length_c 3.21855600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co... | [
[
0,
0,
0
],
[
1.6092779999999998,
2.3733985,
2.3733985000000004
],
[
-2.0221419267943378e-16,
3.302408381261,
3.3024083812610003
],
[
1.6092779999999998,
3.817787118739,
0.9290098812610003
],
[
-8.844329493317914e-17,
1.4443886187389998,
1... | [
[
3.218556,
0,
1.9707971516382542e-16
],
[
-2.9065748761261293e-16,
4.746797,
2.9065748761261293e-16
],
[
0,
0,
4.746797
]
] | [
27,
27,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.351627 | 2.2721 | 0 | 136 | 136 | [
"Co",
"F"
] |
mp-1018689 | mp-1018689 | ErZnIn | # generated using pymatgen
data_ErZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66243375
_cell_length_b 4.66243375
_cell_length_c 7.14628300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999647
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66243375
_cell_length_b 4.66243375
_cell_length_c 7.14628300
_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,
3.5731415
],
[
0,
0,
0
],
[
2.3312169993842455,
1.3459286663828876,
1.786570750000001
],
[
-1.4307974804494416e-15,
2.6918573327657755,
5.359712250000001
],
[
2.3312169993842455,
1.3459286663828876,
5.359712250000001
],
[
-1... | [
[
4.662433998768492,
0,
1.3207600588869652e-15
],
[
-2.331216999384248,
4.037785999148663,
2.854917284087045e-16
],
[
0,
0,
7.146283
]
] | [
68,
68,
30,
30,
49,
49
] | [
1,
1,
1
] | -0.413725 | 0 | 0 | 194 | 194 | [
"Er",
"Zn",
"In"
] |
mp-1640617 | mp-1640617 | CaLaFeWO6 | # generated using pymatgen
data_CaLaFeWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62629000
_cell_length_b 8.00600861
_cell_length_c 5.77948690
_cell_angle_alpha 89.72228699
_cell_angle_beta 91.64669371
_cell_angle_gamma 89.33359390
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CaLaFeWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62629000
_cell_length_b 5.77948690
_cell_length_c 9.73157346
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.65123783
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.8552378391829683,
3.1929603447332946,
5.9319659522927655
],
[
-0.05889021177348725,
5.475687244783176,
1.9498945597617394
],
[
5.5336856445399345,
0.2721844158532824,
5.970065845039275
],
[
2.6058215885402585,
2.608337220133476,
1.9850751534814177
],... | [
[
5.62590944285115,
0,
-0.06543779441782349
],
[
-0.16641796833046746,
5.777022516253474,
-0.028013100305937243
],
[
0,
0,
8.00600861
]
] | [
20,
20,
57,
57,
26,
26,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.788036 | 0.2785 | 0.034613 | 7 | 7 | [
"Ca",
"Fe",
"La",
"O",
"W"
] |
mp-1219647 | mp-1219647 | Rb2Zn3GeAs4 | # generated using pymatgen
data_Rb2Zn3GeAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01599853
_cell_length_b 8.01599853
_cell_length_c 5.88267500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.89181863
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Rb2Zn3GeAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88982600
_cell_length_b 14.91089801
_cell_length_c 5.88267500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.41743007635,
2.7389786336702295,
2.9260987940495973
],
[
1.46524492365,
1.4574177826436148e-16,
4.0079992650000005
],
[
2.9413375000000004,
2.7389786336702295,
-1.0819004709504025
],
[
4.404613577785463e-16,
2.7389786336702295,
-1.0819004709504028
],... | [
[
5.882675,
0,
3.6020995545870777e-16
],
[
8.809227155570927e-16,
5.47795726734046,
-2.163800941900806
],
[
0,
0,
8.01599853
]
] | [
37,
37,
30,
30,
30,
32,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.314627 | 0 | 0 | 21 | 21 | [
"As",
"Ge",
"Rb",
"Zn"
] |
mp-786 | mp-786 | MnSb | # generated using pymatgen
data_MnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10053074
_cell_length_b 4.10053074
_cell_length_c 5.61214300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001189
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10053074
_cell_length_b 4.10053074
_cell_length_c 5.61214300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
0,
0,
2.8060715
],
[
0,
0,
0
],
[
2.0502650015318595,
1.1837213341913853,
4.209107250000001
],
[
-4.47809567318962e-16,
2.3674426683827714,
1.403035750000001
]
] | [
[
4.100530003063719,
0,
1.1615856116665046e-15
],
[
-2.050265001531861,
3.551164002574157,
2.510850922773164e-16
],
[
0,
0,
5.612143
]
] | [
25,
25,
51,
51
] | [
1,
1,
1
] | -0.126354 | 0 | 0 | 194 | 194 | [
"Mn",
"Sb"
] |
mp-973834 | mp-973834 | PdAu3 | # generated using pymatgen
data_PdAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11571800
_cell_length_b 4.11571800
_cell_length_c 4.11571800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_PdAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11571800
_cell_length_b 4.11571800
_cell_length_c 4.11571800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
0,
0,
0
],
[
-1.2600752187232867e-16,
2.057859,
2.057859
],
[
2.057859,
0,
2.057859
],
[
2.057859,
2.057859,
2.5201504374465735e-16
]
] | [
[
4.115718,
0,
2.5201504374465735e-16
],
[
-2.5201504374465735e-16,
4.115718,
2.5201504374465735e-16
],
[
0,
0,
4.115718
]
] | [
46,
79,
79,
79
] | [
1,
1,
1
] | -0.078758 | 0 | 0.000068 | 221 | 221 | [
"Pd",
"Au"
] |
mp-4808 | mp-4808 | NdAgSn | # generated using pymatgen
data_NdAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82274329
_cell_length_b 4.82274329
_cell_length_c 7.67600500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999026
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82274329
_cell_length_b 4.82274329
_cell_length_c 7.67600500
_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,
1.8330606980199993
],
[
0,
0,
5.67106319802
],
[
-1.8068044838061565e-15,
2.7844120000735217,
0.3221158738199998
],
[
2.4113720000022405,
1.3922060000367606,
4.1601183738200005
],
[
2.4113720000022405,
1.3922060000367606,
7.36306962... | [
[
4.822744000004481,
0,
1.3661721862711897e-15
],
[
-2.4113720000022423,
4.176618000110282,
2.953078566603938e-16
],
[
0,
0,
7.676005
]
] | [
60,
60,
47,
47,
50,
50
] | [
1,
1,
1
] | -0.622062 | 0 | 0 | 186 | 186 | [
"Ag",
"Nd",
"Sn"
] |
mp-14785 | mp-14785 | Ba(Cu2P)4 | # generated using pymatgen
data_Ba(Cu2P)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46811211
_cell_length_b 7.46811211
_cell_length_c 7.46811211
_cell_angle_alpha 93.83954629
_cell_angle_beta 93.83954629
_cell_angle_gamma 150.00566543
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba(Cu2P)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.20176599
_cell_length_b 10.20176599
_cell_length_c 3.86506600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
1.0596182769536695,
0.7904092633148098,
3.5127806652043647
],
[
3.5288812970662633,
4.0948061899061665,
1.7636549452118122
],
[
4.39047542793818,
2.7359688063880125,
6.01561796237561
],
[
1.2096493539727662,
4.477769108322307,
... | [
[
3.7334165203171414,
0,
1.0001681110655858
],
[
1.8667082615938053,
7.21373791471032,
0.5000840559172877
],
[
0,
0,
7.468112110000001
]
] | [
56,
29,
29,
29,
29,
29,
29,
29,
29,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.28597 | 0 | 0 | 87 | 87 | [
"Ba",
"Cu",
"P"
] |
mp-1071904 | mp-1071904 | PrCu2 | # generated using pymatgen
data_PrCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61535480
_cell_length_b 5.61535480
_cell_length_c 5.61535480
_cell_angle_alpha 133.93408121
_cell_angle_beta 100.38844721
_cell_angle_gamma 97.22977956
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39413400
_cell_length_b 7.18975600
_cell_length_c 7.42481200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
2.4322391922250293,
1.4865304716987258,
5.509865202316304
],
[
3.5684879302431223,
3.6784949505416145,
2.8373064145773506
],
[
4.776095988040731,
3.6969547514007024,
5.612258916095482
],
[
1.224631134427421,
1.4680706708396387,
2.734912700798174
],
[... | [
[
4.04383334263552,
0,
1.7192514354134452
],
[
1.9568937798326311,
5.165025422240341,
1.0125653815662448
],
[
0,
0,
5.615354799913965
]
] | [
59,
59,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.193005 | 0 | 0 | 74 | 74 | [
"Cu",
"Pr"
] |
mp-31362 | mp-31362 | Na3YCl6 | # generated using pymatgen
data_Na3YCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32344800
_cell_length_b 6.93705100
_cell_length_c 12.35833609
_cell_angle_alpha 56.52790419
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na3YCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93705100
_cell_length_b 7.32344800
_cell_length_c 12.35833609
_cell_angle_alpha 90.00000000
_cell_angle_beta 123.47209581
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-2.2421592879805215e-16,
3.661724,
5.154736332510446
],
[
3.468286404063075,
1.1973000298564382e-32,
10.268747199505192
],
[
6.775124076017014,
0.5448132670640011,
2.58724768101263
],
[
3.62973513617221,
4.206537267063999,
2.4453122549507076
],
[
... | [
[
6.93657280812615,
0,
-0.08145093103140331
],
[
-4.484318575961043e-16,
7.323448,
4.484318575961043e-16
],
[
0,
0,
10.309472665020893
]
] | [
11,
11,
11,
11,
11,
11,
39,
39,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.362934 | 5.2411 | 0.00273 | 14 | 14 | [
"Cl",
"Na",
"Y"
] |
mp-21393 | mp-21393 | Ce3Al | # generated using pymatgen
data_Ce3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71115190
_cell_length_b 6.71115190
_cell_length_c 5.27843600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999897
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ce3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71115190
_cell_length_b 6.71115190
_cell_length_c 5.27843600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9588270000000008,
1.0677683654150316,
4.861729551538295
],
[
1.3196090000000018,
4.7442597289639945,
1.5061468242945113
],
[
1.3196090000000003,
2.135530918801969,
-0.0000033939661558860885
],
[
3.9588270000000017,
3.6764971755770572,
3.355579239483961... | [
[
5.278436,
0,
3.232109875952079e-16
],
[
2.2251748839423585e-15,
5.812028094379026,
-3.3555760544821944
],
[
0,
0,
6.7111519
]
] | [
58,
58,
58,
58,
58,
58,
13,
13
] | [
1,
1,
1
] | -0.164368 | 0 | 0.009693 | 194 | 194 | [
"Al",
"Ce"
] |
mp-972960 | mp-972960 | La2IrAu | # generated using pymatgen
data_La2IrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21642148
_cell_length_b 5.21642148
_cell_length_c 5.21642148
_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_La2IrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37713400
_cell_length_b 7.37713400
_cell_length_c 7.37713400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.517553518526821,
3.194392727323461,
7.824632220000001
],
[
1.505851172842275,
1.0647975757744863,
2.6082107400000014
],
[
0,
0,
0
],
[
3.0117023456845486,
2.1295951515489735,
5.216421480000001
]
] | [
[
4.51755351852682,
0,
2.60821074
],
[
1.5058511728422732,
4.259190303097949,
2.6082107400000005
],
[
0,
0,
5.21642148
]
] | [
57,
57,
77,
79
] | [
1,
1,
1
] | -0.708499 | 0 | 0.055385 | 225 | 225 | [
"La",
"Ir",
"Au"
] |
mp-1187000 | mp-1187000 | Sm2GaAg | # generated using pymatgen
data_Sm2GaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22834613
_cell_length_b 5.22834613
_cell_length_c 5.22834613
_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_Sm2GaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39399801
_cell_length_b 7.39399801
_cell_length_c 7.39399801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.527880568358056,
3.2016950542887814,
7.842519195000001
],
[
1.5092935227860191,
1.0672316847629275,
2.614173065
],
[
0,
0,
0
],
[
3.018587045572038,
2.1344633695258546,
5.228346130000001
]
] | [
[
4.527880568358057,
0,
2.6141730650000006
],
[
1.5092935227860182,
4.268926739051708,
2.6141730650000006
],
[
0,
0,
5.22834613
]
] | [
62,
62,
31,
47
] | [
1,
1,
1
] | -0.427573 | 0 | 0.013082 | 225 | 225 | [
"Ag",
"Ga",
"Sm"
] |
mp-2413 | mp-2413 | Ce3Al | # generated using pymatgen
data_Ce3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69245900
_cell_length_b 4.69245900
_cell_length_c 4.69245900
_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_Ce3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69245900
_cell_length_b 4.69245900
_cell_length_c 4.69245900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
2.3462295,
2.3462295,
2.873302447240095e-16
],
[
2.3462295,
0,
2.3462295
],
[
-1.4366512236200475e-16,
2.3462295,
2.3462295
],
[
0,
0,
0
]
] | [
[
4.692459,
0,
2.873302447240095e-16
],
[
-2.873302447240095e-16,
4.692459,
2.873302447240095e-16
],
[
0,
0,
4.692459
]
] | [
58,
58,
58,
13
] | [
1,
1,
1
] | -0.160783 | 0 | 0.013277 | 221 | 221 | [
"Ce",
"Al"
] |
mp-1183239 | mp-1183239 | AcPr3 | # generated using pymatgen
data_AcPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55095526
_cell_length_b 6.55095526
_cell_length_c 6.55095526
_cell_angle_alpha 131.91176256
_cell_angle_beta 131.91176256
_cell_angle_gamma 70.36842407
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AcPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33824200
_cell_length_b 5.33824200
_cell_length_c 10.70824000
_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
],
[
3.4136936048504807,
1.1943747583130886,
1.1004644807602495
],
[
0.49097405238588687,
3.5831242749392667,
1.1004644804574344
],
[
1.9523338286181837,
2.388749516626177,
-2.175013149391158
]
] | [
[
4.875053381082777,
0,
-2.1750131490883433
],
[
-0.9703857238464099,
4.777499033252355,
-2.175013149693973
],
[
0,
0,
6.55095526
]
] | [
89,
59,
59,
59
] | [
1,
1,
1
] | 0.030841 | 0 | 0.030841 | 139 | 139 | [
"Ac",
"Pr"
] |
mp-18833 | mp-18833 | Sr3Cr2O8 | # generated using pymatgen
data_Sr3Cr2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51258014
_cell_length_b 7.53655525
_cell_length_c 7.51960281
_cell_angle_alpha 44.25770149
_cell_angle_beta 43.98139562
_cell_angle_gamma 44.28168682
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr3Cr2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67168445
_cell_length_b 5.67168445
_cell_length_c 20.33047908
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.4998873705770146,
0.962962052089028,
3.720223965886053
],
[
0.6819649306415609,
3.825144749797779,
1.675406151031511
],
[
5.220816039338661,
0.00018194933211747124,
5.411133632966959
],
[
3.0047766896550363,
1.9403028895556196,
-0.07569432905371519
]... | [
[
5.221798366705168,
0,
-2.1017347127460346
],
[
-3.0397062535120325,
4.788140318869039,
-0.015305479050113533
],
[
0,
0,
7.51258014
]
] | [
38,
38,
38,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.627203 | 0 | 0.005153 | 166 | 166 | [
"Cr",
"O",
"Sr"
] |
mp-1078498 | mp-1078498 | ZnCu2SiTe4 | # generated using pymatgen
data_ZnCu2SiTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36762086
_cell_length_b 7.36762086
_cell_length_c 7.36762086
_cell_angle_alpha 131.69285629
_cell_angle_beta 131.69285629
_cell_angle_gamma 70.71456170
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_ZnCu2SiTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02942200
_cell_length_b 6.02942200
_cell_length_c 12.01746601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
3.849574726251914,
1.3472906831310474,
1.216668704603518
],
[
0.5456080039879522,
4.041872049393142,
1.2166687045694742
],
[
2.197591365119933,
2.6945813662620943,
-2.467141725413503
],
[
1.705458359632245,
2.0911514259386283,
... | [
[
5.501558087383894,
0,
-2.467141725379459
],
[
-1.1063753571440285,
5.3891627325241895,
-2.4671417254475467
],
[
0,
0,
7.36762086
]
] | [
30,
29,
29,
14,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.389044 | 0.29 | 0 | 121 | 121 | [
"Cu",
"Si",
"Te",
"Zn"
] |
mp-776264 | mp-776264 | LiFeF4 | # generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39635408
_cell_length_b 6.39635408
_cell_length_c 5.46824345
_cell_angle_alpha 88.40371195
_cell_angle_beta 88.40371195
_cell_angle_gamma 48.28143651
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.67390600
_cell_length_b 5.23195000
_cell_length_c 5.46824345
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.74931835
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.20122895717681008,
4.099271248099964,
-0.22737943354401985
],
[
4.504884714862475,
1.3664237493666544,
-2.0647068499035917
],
[
2.353056836019642,
2.732847498733309,
2.0521338982761943
],
[
-0.06826965046770696,
5.465694997466618,
3.045848848382998
]... | [
[
4.774383322506991,
0,
-2.1397580918306094
],
[
-0.06826965046770696,
5.465694997466618,
-0.15232819161700206
],
[
0,
0,
6.39635408
]
] | [
3,
3,
26,
26,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.82659 | 3.2364 | 0.004634 | 15 | 15 | [
"Li",
"Fe",
"F"
] |
mp-1207243 | mp-1207243 | Sm2GaCo2 | # generated using pymatgen
data_Sm2GaCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49920408
_cell_length_b 5.49920408
_cell_length_c 5.49920408
_cell_angle_alpha 136.17731449
_cell_angle_beta 119.92874210
_cell_angle_gamma 77.26696229
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sm2GaCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10429200
_cell_length_b 5.50512600
_cell_length_c 8.59147001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8045842010983058,
3.2746967524120785,
7.038823035942153
],
[
1.1115721076083291,
1.3604996812164885,
2.735662600763413
],
[
0,
0,
0
],
[
2.6949167174488715,
3.3080748019306374,
4.298425243116239
],
[
2.2212395912577643,
1.3271216316979293,
... | [
[
3.8078077828530303,
0,
1.5316046293717263
],
[
1.1083485258536043,
4.635196433628567,
2.7436769271187527
],
[
0,
0,
5.499204080215087
]
] | [
62,
62,
31,
27,
27
] | [
1,
1,
1
] | -0.329533 | 0 | 0 | 71 | 71 | [
"Co",
"Ga",
"Sm"
] |
mp-1218819 | mp-1218819 | Sr2Gd2TlNi2O9 | # generated using pymatgen
data_Sr2Gd2TlNi2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.03263501
_cell_length_b 15.02858627
_cell_length_c 3.81128455
_cell_angle_alpha 82.77658194
_cell_angle_beta 82.65583348
_cell_angle_gamma 14.56758458
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Sr2Gd2TlNi2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36734200
_cell_length_b 5.41250400
_cell_length_c 29.57406400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
2.1837507239991116,
2.187020047254822,
1.9995048066790702
],
[
1.5554189997278942,
1.543050893824582,
12.070629370304108
],
[
2.596800868427429,
2.6558478251593405,
5.437853262721627
],
[
1.0968846349792758,
1.118602848088994,
8.632280914176755
],
[
... | [
[
3.781035880186402,
0,
-0.4792260429446285
],
[
-0.09292888604306646,
3.7798937202054312,
-0.4792260501673961
],
[
0,
0,
15.02858627
]
] | [
38,
38,
64,
64,
81,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.465758 | 0 | 0.035789 | 42 | 42 | [
"Gd",
"Ni",
"O",
"Sr",
"Tl"
] |
mp-661 | mp-661 | AlN | # generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12858827
_cell_length_b 3.12858827
_cell_length_c 5.01695500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000575
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | # generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12858827
_cell_length_b 3.12858827
_cell_length_c 5.01695500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | [
[
1.0626359059016195e-16,
1.806291332196996,
2.5120545889150003
],
[
1.5642939990452875,
0.9031456660984978,
0.0035770889150004725
],
[
1.0626359059016195e-16,
1.806291332196996,
0.5984575110850007
],
[
1.5642939990452875,
0.9031456660984978,
3.10693501108... | [
[
3.128587998090574,
0,
8.862568498948385e-16
],
[
-1.564293999045287,
2.7094369982954936,
1.9157078053527275e-16
],
[
0,
0,
5.016955
]
] | [
13,
13,
7,
7
] | [
1,
1,
1
] | -1.584397 | 4.0536 | 0 | 186 | 186 | [
"Al",
"N"
] |
mp-1215431 | mp-1215431 | ZnCo2 | # generated using pymatgen
data_ZnCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56954454
_cell_length_b 2.56954454
_cell_length_c 6.20706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001382
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZnCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56954454
_cell_length_b 2.56954454
_cell_length_c 6.20706500
_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,
0
],
[
1.284772001624904,
0.7417636675806706,
2.152169440385
],
[
-2.4312196712320205e-16,
1.4835273351613412,
4.054895559615
]
] | [
[
2.5695440032498085,
0,
7.278925749814948e-16
],
[
-1.2847720016249042,
2.2252910027420114,
1.5733922480887789e-16
],
[
0,
0,
6.207065
]
] | [
30,
27,
27
] | [
1,
1,
1
] | 0.020071 | 0 | 0.058917 | 164 | 164 | [
"Co",
"Zn"
] |
mp-12505 | mp-12505 | LuAgSn | # generated using pymatgen
data_LuAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70233289
_cell_length_b 4.70233289
_cell_length_c 7.29512500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001256
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70233289
_cell_length_b 4.70233289
_cell_length_c 7.29512500
_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,
3.6370721102499997
],
[
0,
0,
7.2846346102499995
],
[
8.701062088035895e-17,
2.714893331663075,
5.962050333125
],
[
2.3511659986443596,
1.3574466658315372,
2.314487833125001
],
[
2.3511659986443596,
1.3574466658315372,
5.25375935175... | [
[
4.702331997288719,
0,
1.3320622420146977e-15
],
[
-2.3511659986443605,
4.072339997494613,
2.8793484611319115e-16
],
[
0,
0,
7.295125
]
] | [
71,
71,
47,
47,
50,
50
] | [
1,
1,
1
] | -0.521449 | 0 | 0 | 186 | 186 | [
"Lu",
"Ag",
"Sn"
] |
mp-5679 | mp-5679 | CdSO4 | # generated using pymatgen
data_CdSO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84806700
_cell_length_b 4.88067700
_cell_length_c 6.60086500
_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_CdSO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84806700
_cell_length_b 4.88067700
_cell_length_c 6.60086500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
4.2208483318750005,
3.7379445712820005,
3.3004325000000003
],
[
0.6272186681249999,
1.2976060712820001,
1.1786152280172106e-16
],
[
1.591950064656,
1.119397911981,
3.3004325
],
[
3.2561169353440005,
3.5597364119810004,
4.1735064926296676e-16
],
[
... | [
[
4.848067,
0,
2.968584866800956e-16
],
[
-2.9885527328610537e-16,
4.880677,
2.9885527328610537e-16
],
[
0,
0,
6.600865
]
] | [
48,
48,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.904003 | 3.0499 | 0.010589 | 31 | 31 | [
"Cd",
"O",
"S"
] |
mp-569895 | mp-569895 | EuCl3 | # generated using pymatgen
data_EuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56219837
_cell_length_b 7.56219837
_cell_length_c 4.23345100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000321
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56219837
_cell_length_b 7.56219837
_cell_length_c 4.23345100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1750882500000017,
4.366037123360614,
2.4460753379173717e-7
],
[
1.0583627500000004,
2.183018561680307,
3.7810993073037658
],
[
3.1750882500000013,
3.9930640360604093,
4.601945792981711
],
[
3.17508825,
0.5671220261018028,
4.938221438160231
],
[
... | [
[
4.233451,
0,
2.5922411082485806e-16
],
[
2.5073509603277258e-15,
6.54905568504092,
-3.781098818088699
],
[
0,
0,
7.56219837
]
] | [
63,
63,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.307004 | 0 | 0 | 176 | 176 | [
"Eu",
"Cl"
] |
mp-1208893 | mp-1208893 | Sn7(SI3)2 | # generated using pymatgen
data_Sn7(SI3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66401694
_cell_length_b 7.66401694
_cell_length_c 17.98022560
_cell_angle_alpha 69.60902004
_cell_angle_beta 69.60902004
_cell_angle_gamma 33.87883683
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sn7(SI3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.66300199
_cell_length_b 4.46598200
_cell_length_c 17.98022560
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.36002340
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.277232424122557,
5.464273539307038,
1.713115184149983
],
[
2.317893051598817,
1.8592333379406154,
16.422211120673172
],
[
3.250793143693161,
1.633727914176406,
9.418770498678132
],
[
3.344332332028212,
5.689778963071245,
8.716555806145022
],
[
... | [
[
4.426879788872398,
0,
0.5896868104741938
],
[
2.168245686848976,
7.323506877247653,
0.6341240548773616
],
[
0,
0,
16.911515439471597
]
] | [
50,
50,
50,
50,
50,
50,
50,
16,
16,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.559571 | 0.2026 | 0.078268 | 12 | 12 | [
"I",
"S",
"Sn"
] |
mp-1221198 | mp-1221198 | Na4AgCl5 | # generated using pymatgen
data_Na4AgCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.60807036
_cell_length_b 10.60807036
_cell_length_c 10.60807036
_cell_angle_alpha 158.14885262
_cell_angle_beta 149.01085669
_cell_angle_gamma 38.24056960
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Na4AgCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02117400
_cell_length_b 5.66783000
_cell_length_c 20.04571001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.463350060602102,
2.183017029290682,
7.580844797530874
],
[
2.924550388567001,
4.362827100053952,
4.542482604177876
],
[
0.7314574978318106,
1.0911840009848277,
3.78929547778314
],
[
2.1926578257967093,
3.2709940717481003,
0.7509332844301428
],
[
... | [
[
3.948287059179744,
0,
-0.7621480537341055
],
[
-0.29227917278093296,
5.454011101038781,
-1.5141442243048762
],
[
0,
0,
10.608070359999997
]
] | [
11,
11,
11,
11,
47,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.834306 | 2.7446 | 0.000156 | 71 | 71 | [
"Ag",
"Cl",
"Na"
] |
mp-1104298 | mp-1104298 | NaCaSiO4 | # generated using pymatgen
data_NaCaSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15836200
_cell_length_b 5.40832800
_cell_length_c 5.44929022
_cell_angle_alpha 63.28035092
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaCaSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40832800
_cell_length_b 7.15836200
_cell_length_c 5.44929022
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.71964908
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.0960196288201516,
3.20577672412966,
1.7895905000000003
],
[
3.0542086282459957,
1.6616232778891917,
5.3687715
],
[
-5.3952221088866336e-33,
1.0718046648591415e-32,
3.579181
],
[
0,
0,
0
],
[
0.4034939398415486,
3.2507076935482964,
5.36... | [
[
5.408328,
0,
3.3116457869695034e-16
],
[
-2.4501390005741563,
4.867400002018852,
3.336727912773988e-16
],
[
0,
0,
7.158362
]
] | [
11,
11,
20,
20,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.821646 | 0.119 | 0.073486 | 11 | 11 | [
"Ca",
"Na",
"O",
"Si"
] |
mp-979950 | mp-979950 | AcYbMg2 | # generated using pymatgen
data_AcYbMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72397707
_cell_length_b 5.72397707
_cell_length_c 5.72397707
_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_AcYbMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09492600
_cell_length_b 8.09492600
_cell_length_c 8.09492600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3047397021997456,
2.336803853481852,
5.723977069999999
],
[
0,
0,
0
],
[
4.9571095532996186,
3.505205780222777,
8.585965604999998
],
[
1.6523698510998728,
1.1684019267409251,
2.8619885350000005
]
] | [
[
4.957109553299619,
0,
2.8619885349999983
],
[
1.6523698510998728,
4.673607706963702,
2.861988534999999
],
[
0,
0,
5.72397707
]
] | [
89,
70,
12,
12
] | [
1,
1,
1
] | -0.075152 | 0 | 0 | 225 | 225 | [
"Ac",
"Yb",
"Mg"
] |
mp-12457 | mp-12457 | LuCuS2 | # generated using pymatgen
data_LuCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89388400
_cell_length_b 6.20270400
_cell_length_c 13.15180000
_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_LuCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89388400
_cell_length_b 6.20270400
_cell_length_c 13.15180000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9734709999999998,
3.119048314512,
1.7572119980000003
],
[
2.920413,
3.083655685488,
11.394588002
],
[
2.920413,
0.017696314512,
4.818688002
],
[
0.9734709999999996,
6.185007685487999,
8.333111998
],
[
0.973471,
0.749857291968,
12.541977... | [
[
3.893884,
0,
2.384316288425546e-16
],
[
-3.798060799829242e-16,
6.202704,
3.798060799829242e-16
],
[
0,
0,
13.1518
]
] | [
71,
71,
71,
71,
29,
29,
29,
29,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.61585 | 1.7032 | 0.00418 | 62 | 62 | [
"Cu",
"Lu",
"S"
] |
mp-862772 | mp-862772 | CsNd2CuSe4 | # generated using pymatgen
data_CsNd2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78658566
_cell_length_b 7.78658566
_cell_length_c 14.77148800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 148.17100054
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_CsNd2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27020400
_cell_length_b 14.97628201
_cell_length_c 14.77148800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.067212219820407e-16,
1.5894028567962162,
11.078616
],
[
2.135102001130399,
5.898738146502708,
3.6928720000000013
],
[
-1.8029615984317533e-16,
5.474205480461677,
13.861062108608001
],
[
2.1351020011303996,
2.013935522837246,
6.475318108608003
],
[
... | [
[
4.270204002260798,
0,
1.2096503437850317e-15
],
[
-2.1351020011303987,
7.488141003298923,
4.76790860240284e-16
],
[
0,
0,
14.771488
]
] | [
55,
55,
60,
60,
60,
60,
29,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.728577 | 0.9644 | 0 | 63 | 63 | [
"Cs",
"Cu",
"Nd",
"Se"
] |
mp-20478 | mp-20478 | LuTiSi | # generated using pymatgen
data_LuTiSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98145300
_cell_length_b 3.98145300
_cell_length_c 7.41293500
_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_LuTiSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98145300
_cell_length_b 3.98145300
_cell_length_c 7.41293500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2189684181014067e-16,
1.9907265,
2.55010894348
],
[
1.9907265,
0,
4.86282605652
],
[
0,
0,
0
],
[
1.9907264999999998,
1.9907265,
2.4379368362028133e-16
],
[
-1.2189684181014067e-16,
1.9907265,
5.590146174045
],
[
1.9907265,
... | [
[
3.981453,
0,
2.4379368362028133e-16
],
[
-2.4379368362028133e-16,
3.981453,
2.4379368362028133e-16
],
[
0,
0,
7.412935
]
] | [
71,
71,
22,
22,
14,
14
] | [
1,
1,
1
] | -0.64763 | 0 | 0 | 129 | 129 | [
"Lu",
"Si",
"Ti"
] |
mp-1221979 | mp-1221979 | Mn(InTe2)2 | # generated using pymatgen
data_Mn(InTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69943245
_cell_length_b 7.69943245
_cell_length_c 7.69943245
_cell_angle_alpha 131.60903476
_cell_angle_beta 131.60903476
_cell_angle_gamma 70.84721931
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Mn(InTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31124200
_cell_length_b 6.31124200
_cell_length_c 12.54836599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.027048486506374,
1.4095675369978655,
1.2630466361937227
],
[
0,
0,
0
],
[
0.5675159729191027,
4.228702610993598,
1.2630466357512407
],
[
3.8210476697738756,
4.794598870937058,
-2.55959725658809
],
[
1.8482405514847335,
2.162530323911385,
... | [
[
5.756814743300009,
0,
-2.5866695885850355
],
[
-1.162250283874533,
5.638270147991465,
-2.5866695894700023
],
[
0,
0,
7.69943245
]
] | [
25,
49,
49,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.516238 | 0.3445 | 0 | 82 | 82 | [
"In",
"Mn",
"Te"
] |
mp-1220994 | mp-1220994 | NaEuSe2 | # generated using pymatgen
data_NaEuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28176491
_cell_length_b 5.97120400
_cell_length_c 4.28176491
_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_NaEuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28176491
_cell_length_b 4.28176491
_cell_length_c 5.97120400
_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
],
[
2.140882455,
2.140882455,
2.9856020000000005
],
[
-2.6218248458664773e-16,
4.28176491,
2.9856020000000005
],
[
2.140882455,
2.140882455,
2.6218248458664773e-16
]
] | [
[
4.28176491,
0,
2.6218248458664773e-16
],
[
-2.6218248458664773e-16,
4.28176491,
2.6218248458664773e-16
],
[
0,
0,
5.971204
]
] | [
11,
63,
34,
34
] | [
1,
1,
1
] | -1.606693 | 0 | 0.054545 | 123 | 123 | [
"Eu",
"Na",
"Se"
] |
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