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-1207139 | mp-1207139 | KRb2InF6 | # generated using pymatgen
data_KRb2InF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56373652
_cell_length_b 6.56373652
_cell_length_c 6.56373652
_cell_angle_alpha 120.27323510
_cell_angle_beta 120.27323510
_cell_angle_gamma 89.52739086
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_KRb2InF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53661000
_cell_length_b 6.53661000
_cell_length_c 9.32073000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.899911212420846,
2.6758669344497736,
3.308938724187846
],
[
3.7842792305919404,
1.337933467224887,
0.02707046437516869
],
[
0.015543194249751813,
4.013800401674661,
0.027070464000525263
],
[
0,
0,
0
],
[
-0.02966085167382114,
4.356734156259... | [
[
5.668647248763034,
0,
-3.2547977954375087
],
[
-1.8688248239213423,
5.351733868899548,
-3.254797796186796
],
[
0,
0,
6.563736519999999
]
] | [
19,
37,
37,
49,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.998435 | 5.556 | 0.007729 | 87 | 87 | [
"F",
"In",
"K",
"Rb"
] |
mp-1018743 | mp-1018743 | LaNi3Rh2 | # generated using pymatgen
data_LaNi3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07733020
_cell_length_b 5.07733020
_cell_length_c 4.20455600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000267
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LaNi3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07733020
_cell_length_b 5.07733020
_cell_length_c 4.20455600
_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
],
[
2.102278000000001,
2.1985484091496934,
-1.269332447547002
],
[
2.102278000000001,
2.1985484091496934,
1.2693326524529975
],
[
2.102278,
2.6751311419918012e-17,
2.5386651
],
[
4.204556000000001,
1.465698939433129,
2.5386651683... | [
[
4.204556,
0,
2.5745480236178994e-16
],
[
1.6834587244692313e-15,
4.397096818299387,
-2.538664895094005
],
[
0,
0,
5.0773302
]
] | [
57,
28,
28,
28,
45,
45
] | [
1,
1,
1
] | -0.279175 | 0 | 0.064884 | 191 | 191 | [
"La",
"Ni",
"Rh"
] |
mp-1174008 | mp-1174008 | Li3Mn2O5 | # generated using pymatgen
data_Li3Mn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97407234
_cell_length_b 12.67650206
_cell_length_c 5.08307076
_cell_angle_alpha 100.89896041
_cell_angle_beta 77.32183590
_cell_angle_gamma 91.58638912
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li3Mn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97407234
_cell_length_b 5.08307076
_cell_length_c 12.67650206
_cell_angle_alpha 100.89896041
_cell_angle_beta 88.41361088
_cell_angle_gamma 102.67816410
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.1685037229999051,
3.8970358618899184,
9.649828153576292
],
[
2.6550269655678913,
3.896719243952809,
3.353864478370275
],
[
2.6759752544635558,
3.0171838409343494,
12.060069539382898
],
[
2.634044569864285,
4.776381294146113,
7.323157940129976
],
[
... | [
[
2.972932436812559,
0,
0.08233474176080953
],
[
1.0894143550247766,
4.8710451862966,
0.9610949522756055
],
[
0,
0,
12.67650206
]
] | [
3,
3,
3,
3,
3,
3,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.121805 | 0.8954 | 0.050211 | 2 | 2 | [
"Li",
"Mn",
"O"
] |
mp-1218253 | mp-1218253 | SrLa(RuO3)2 | # generated using pymatgen
data_SrLa(RuO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64325400
_cell_length_b 5.64822000
_cell_length_c 7.96934600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_SrLa(RuO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64325400
_cell_length_b 5.64822000
_cell_length_c 7.96934600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.43968900315,
2.7932142366000003,
3.9846730000000004
],
[
1.2035649968499995,
5.6173242366,
4.176590083541593e-16
],
[
1.637683597308,
0.0401588442,
3.984673
],
[
4.005570402692,
2.8642688441999997,
4.206563322181576e-16
],
[
1.4087988583219997,... | [
[
5.643254,
0,
3.455496473937749e-16
],
[
-3.458537271940032e-16,
5.64822,
3.458537271940032e-16
],
[
0,
0,
7.969346
]
] | [
38,
38,
57,
57,
44,
44,
44,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.379268 | 0 | 0.018635 | 31 | 31 | [
"La",
"O",
"Ru",
"Sr"
] |
mp-1224104 | mp-1224104 | HoTiFe11 | # generated using pymatgen
data_HoTiFe11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44814903
_cell_length_b 6.44814903
_cell_length_c 6.44814903
_cell_angle_alpha 137.18247524
_cell_angle_beta 97.73705520
_cell_angle_gamma 97.57656335
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_HoTiFe11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70739600
_cell_length_b 8.48304399
_cell_length_c 8.49663999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2087579453600865,
5.964924537042703,
7.2627482865780895
],
[
3.5803232498159008,
2.2013864367380487,
3.7645010357324393
],
[
4.382111273500471,
5.988439146145768,
4.933908534412071
],
[
2.197387924681143,
5.988439146145768,
4.077339364520449
],
[
... | [
[
4.382585689535883,
0,
1.7182897725212622
],
[
2.1948020736745066,
6.0032190714998,
0.8501944189802215
],
[
0,
0,
6.44814903
]
] | [
67,
22,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.080787 | 0 | 0.010546 | 44 | 44 | [
"Fe",
"Ho",
"Ti"
] |
mp-1079171 | mp-1079171 | NdNiGe3 | # generated using pymatgen
data_NdNiGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.14934963
_cell_length_b 11.14934963
_cell_length_c 4.16995200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.57495898
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_NdNiGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14491200
_cell_length_b 21.91008200
_cell_length_c 4.16995200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7225427139783753,
2.0849760000000006,
3.2420618442032554
],
[
1.3501325900327172,
2.0849760000000006,
7.136826007588925
],
[
3.6276052014381515,
1.6633332746458054e-31,
8.026239003306967
],
[
0.4450701025729398,
6.353607404432526e-32,
2.352648848485212... | [
[
4.072675304011091,
0,
-0.7704617782078202
],
[
6.70579425926439e-16,
4.169952,
2.553359184699052e-16
],
[
0,
0,
11.14934963
]
] | [
60,
60,
28,
28,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.597558 | 0 | 0 | 65 | 65 | [
"Ge",
"Nd",
"Ni"
] |
mp-16914 | mp-16914 | Y2Si5Ni3 | # generated using pymatgen
data_Y2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87461889
_cell_length_b 7.87461889
_cell_length_c 7.87461889
_cell_angle_alpha 137.88327531
_cell_angle_beta 104.99453842
_cell_angle_gamma 89.97094642
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Y2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65899600
_cell_length_b 9.58812400
_cell_length_c 11.13921600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.5704835719519856,
0.7685363214856054,
6.476054191436295
],
[
3.9581080472859456,
6.498328167452495,
5.469324192498668
],
[
5.415725584957694,
2.673661117092551,
9.558249980483309
],
[
2.112866034280237,
4.593203371845549,
2.387128403451654
],
[
... | [
[
5.281059405039559,
0,
2.033383213697169
],
[
2.2475322141983716,
7.2668644889381,
2.0373762804881648
],
[
0,
0,
7.8746188897496285
]
] | [
39,
39,
39,
39,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.754283 | 0 | 0.009481 | 72 | 72 | [
"Ni",
"Si",
"Y"
] |
mp-5215 | mp-5215 | NdNiGe2 | # generated using pymatgen
data_NdNiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65783157
_cell_length_b 8.65783157
_cell_length_c 4.25259500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.68480338
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdNiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23523600
_cell_length_b 16.78972799
_cell_length_c 4.25259500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.44602577654510744,
3.1894462500000005,
1.7681780825968294
],
[
3.6605718051687677,
1.0631487499999999,
5.853757616184053
],
[
1.3094132785149595,
3.1894462500000005,
5.190901472254397
],
[
2.7971843031989163,
1.0631487499999999,
2.4310342265264855
],... | [
[
4.106597581713876,
0,
-1.0358958712191189
],
[
6.838694339401616e-16,
4.252595,
2.6039634274100196e-16
],
[
0,
0,
8.65783157
]
] | [
60,
60,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.744846 | 0 | 0 | 63 | 63 | [
"Nd",
"Ni",
"Ge"
] |
mp-1224895 | mp-1224895 | GaFe2Co | # generated using pymatgen
data_GaFe2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03858947
_cell_length_b 4.03858947
_cell_length_c 4.03858947
_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_GaFe2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71142800
_cell_length_b 5.71142800
_cell_length_c 5.71142800
_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
],
[
3.4975210764763323,
2.4731208705192875,
6.057884205
],
[
2.3316807176508885,
1.6487472470128588,
4.03858947
],
[
1.1658403588254442,
0.8243736235064294,
2.019294735000001
]
] | [
[
3.4975210764763323,
0,
2.0192947349999995
],
[
1.1658403588254438,
3.2974944940257163,
2.019294735
],
[
0,
0,
4.03858947
]
] | [
31,
26,
26,
27
] | [
1,
1,
1
] | -0.154365 | 0 | 0.033829 | 216 | 216 | [
"Co",
"Fe",
"Ga"
] |
mp-1212356 | mp-1212356 | Ho2CoPtO6 | # generated using pymatgen
data_Ho2CoPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76691900
_cell_length_b 5.33001900
_cell_length_c 9.33213695
_cell_angle_alpha 55.43263033
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ho2CoPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33001900
_cell_length_b 5.76691900
_cell_length_c 9.33213695
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.56736967
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.530741093623161,
0.430540871783,
1.9119075421890122
],
[
2.799221994287391,
5.3363781282169995,
5.7972246311394695
],
[
0.1342404503321146,
3.3140003717829996,
1.9426585444752293
],
[
5.195722637578438,
2.452918628217,
5.766473628853252
],
[
2.... | [
[
5.329963087910552,
0,
0.024413559183567846
],
[
-3.5312194471460275e-16,
5.766919,
3.5312194471460275e-16
],
[
0,
0,
7.684718614144913
]
] | [
67,
67,
67,
67,
27,
27,
78,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.585264 | 1.7584 | 0.03826 | 14 | 14 | [
"Co",
"Ho",
"O",
"Pt"
] |
mp-1102866 | mp-1102866 | YbSiPt | # generated using pymatgen
data_YbSiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35954800
_cell_length_b 7.08089200
_cell_length_c 7.19668900
_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_YbSiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35954800
_cell_length_b 7.08089200
_cell_length_c 7.19668900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0898869999999998,
3.454391919524,
4.9280983165970005
],
[
1.0898869999999996,
6.9948379195240005,
5.866935183403001
],
[
3.2696609999999997,
3.626500080476,
2.2685906834030005
],
[
3.269661,
0.08605408047600001,
1.3297538165970002
],
[
1.089886... | [
[
4.359548,
0,
2.669453251964623e-16
],
[
-4.3357958614540504e-16,
7.080892,
4.3357958614540504e-16
],
[
0,
0,
7.196689
]
] | [
70,
70,
70,
70,
14,
14,
14,
14,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.010268 | 0 | 0 | 62 | 62 | [
"Pt",
"Si",
"Yb"
] |
mp-1206944 | mp-1206944 | LaMgCu | # generated using pymatgen
data_LaMgCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70633312
_cell_length_b 7.70633312
_cell_length_c 4.16539300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999246
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaMgCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70633312
_cell_length_b 7.70633312
_cell_length_c 4.16539300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0559146136553093e-15,
2.757987897543161,
1.5923245711413643
],
[
4.165393,
3.6959568979833044e-16,
4.521683251826879
],
[
1.4992264837777501e-15,
3.9158928614705153,
5.445490978763593
],
[
2.0826965000000017,
5.079103560601286,
2.932420916756561
],
... | [
[
4.165393,
0,
2.5505676023203953e-16
],
[
2.5551410974330594e-15,
6.673880759013676,
-3.853167438268162
],
[
0,
0,
7.706333119999999
]
] | [
57,
57,
57,
12,
12,
12,
29,
29,
29
] | [
1,
1,
1
] | -0.180239 | 0 | 0 | 189 | 189 | [
"Cu",
"La",
"Mg"
] |
mp-1017554 | mp-1017554 | CdNi3N | # generated using pymatgen
data_CdNi3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84975400
_cell_length_b 3.84975400
_cell_length_c 3.84975400
_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_CdNi3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84975400
_cell_length_b 3.84975400
_cell_length_c 3.84975400
_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
],
[
1.9248769999999997,
1.924877,
2.35729445680236e-16
],
[
1.924877,
0,
1.9248770000000002
],
[
-1.17864722840118e-16,
1.924877,
1.9248770000000002
],
[
1.9248769999999997,
1.924877,
1.9248770000000002
]
] | [
[
3.849754,
0,
2.35729445680236e-16
],
[
-2.35729445680236e-16,
3.849754,
2.35729445680236e-16
],
[
0,
0,
3.849754
]
] | [
48,
28,
28,
28,
7
] | [
1,
1,
1
] | -0.135519 | 0 | 0 | 221 | 221 | [
"Cd",
"Ni",
"N"
] |
mp-3717 | mp-3717 | LuBRh3 | # generated using pymatgen
data_LuBRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17618300
_cell_length_b 4.17618300
_cell_length_c 4.17618300
_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_LuBRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17618300
_cell_length_b 4.17618300
_cell_length_c 4.17618300
_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
],
[
2.0880915,
2.0880915,
2.0880915000000004
],
[
-1.2785872859008976e-16,
2.0880915,
2.0880915
],
[
2.0880915,
2.0880915,
2.5571745718017952e-16
],
[
2.0880915,
0,
2.0880915
]
] | [
[
4.176183,
0,
2.5571745718017952e-16
],
[
-2.5571745718017952e-16,
4.176183,
2.5571745718017952e-16
],
[
0,
0,
4.176183
]
] | [
71,
5,
45,
45,
45
] | [
1,
1,
1
] | -0.832442 | 0 | 0 | 221 | 221 | [
"Lu",
"B",
"Rh"
] |
mp-9274 | mp-9274 | Rb3Sb2Au3 | # generated using pymatgen
data_Rb3Sb2Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28966327
_cell_length_b 8.28966327
_cell_length_c 8.28966308
_cell_angle_alpha 47.35309048
_cell_angle_beta 47.35309048
_cell_angle_gamma 47.35308810
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb3Sb2Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65780812
_cell_length_b 6.65780812
_cell_length_c 22.03377898
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.279970629906725,
2.7890049582485936,
6.818426775929545
],
[
7.859900703644646,
5.121834687516132,
6.943702696916418
],
[
0.7000405561688038,
0.45617522898105656,
6.693150854942669
],
[
2.1205970479998846,
1.3818682866634306,
3.4534302621746114
],
[... | [
[
6.097401011970997,
0,
2.673595235929545
],
[
2.4625402478424516,
5.578009916497188,
2.6735952359295445
],
[
0,
0,
8.28966308
]
] | [
37,
37,
37,
51,
51,
79,
79,
79
] | [
1,
1,
1
] | -0.461998 | 1.4027 | 0 | 166 | 166 | [
"Rb",
"Sb",
"Au"
] |
mp-1209937 | mp-1209937 | NdLuO3 | # generated using pymatgen
data_NdLuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73166100
_cell_length_b 5.97958100
_cell_length_c 8.32714300
_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_NdLuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73166100
_cell_length_b 5.97958100
_cell_length_c 8.32714300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.08295432965299983,
2.66360435645,
2.08178575
],
[
5.648706670347,
3.3159766435499995,
6.2453572500000005
],
[
2.9487848296529995,
0.32618614355,
6.24535725
],
[
2.7828761703469995,
5.653394856449999,
2.0817857500000003
],
[
0,
0,
0
],... | [
[
5.731661,
0,
3.5096301487238586e-16
],
[
-3.6614373659461644e-16,
5.979581,
3.6614373659461644e-16
],
[
0,
0,
8.327143
]
] | [
60,
60,
60,
60,
71,
71,
71,
71,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.930141 | 4.8869 | 0.022673 | 62 | 62 | [
"Lu",
"Nd",
"O"
] |
mp-1221751 | mp-1221751 | MnFeSn4 | # generated using pymatgen
data_MnFeSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31347233
_cell_length_b 5.31347233
_cell_length_c 5.31347233
_cell_angle_alpha 104.44570089
_cell_angle_beta 104.44570089
_cell_angle_gamma 120.07116285
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_MnFeSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50998000
_cell_length_b 6.50998000
_cell_length_c 5.30775600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2991493680804673,
1.2090048457581304e-16,
6.638983783062119
],
[
0,
0,
0
],
[
4.598298736060064,
3.8000205267754135,
5.3077590710660845
],
[
4.598298736139613,
0.8032304735485247,
5.3077590711119464
],
[
3.0475408805245077,
2.30162550016196... | [
[
4.598298736160935,
0,
2.651022906124238
],
[
2.2991493679582753,
4.6032510003239375,
1.3255114529916738
],
[
0,
0,
5.31347233
]
] | [
25,
26,
50,
50,
50,
50
] | [
1,
1,
1
] | 0.019409 | 0 | 0.02032 | 97 | 97 | [
"Fe",
"Mn",
"Sn"
] |
mp-1215998 | mp-1215998 | Yb(CuTe)3 | # generated using pymatgen
data_Yb(CuTe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44141110
_cell_length_b 8.44141110
_cell_length_c 8.44141145
_cell_angle_alpha 52.21638379
_cell_angle_beta 52.21638379
_cell_angle_gamma 52.21638079
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Yb(CuTe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42958227
_cell_length_b 7.42958227
_cell_length_c 21.81102308
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
6.135150296891786,
4.112679086200682,
4.363954186105055
],
[
3.070953788645286,
2.0586044041412963,
10.616494375666097
],
[
5.773296391973403,
5.3928624760042005,
7.7703576199885
],
[
2.8016589251971937,
3.2915959890941715,
5.623735595010491
],
[
... | [
[
6.671502473282305,
0,
3.2695185558855755
],
[
2.534601612254768,
6.1712834903419775,
3.269518555885576
],
[
0,
0,
8.44141145
]
] | [
70,
70,
29,
29,
29,
29,
29,
29,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.6512 | 0 | 0.043238 | 148 | 148 | [
"Cu",
"Te",
"Yb"
] |
mp-504613 | mp-504613 | Ce3(Si4Ni)2 | # generated using pymatgen
data_Ce3(Si4Ni)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.16820142
_cell_length_b 13.16820142
_cell_length_c 4.19367900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 162.11730865
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ce3(Si4Ni)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09329000
_cell_length_b 26.01636200
_cell_length_c 4.19367900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
2.78155680968419,
2.0968395,
4.51097324507978
],
[
1.2619913945376304,
2.0968395,
8.021035634498329
],
[
2.4068978072738125,
1.773152169893409e-32,
2.12969455956207
],
[
1.6366503969480066,
1.2111369082850746e-31,
10.40231432... | [
[
4.043548204221819,
0,
-0.6361925404218939
],
[
1.605578815274727e-15,
4.193679,
2.5678877820007367e-16
],
[
0,
0,
13.16820142
]
] | [
58,
58,
58,
14,
14,
14,
14,
14,
14,
14,
14,
28,
28
] | [
1,
1,
1
] | -0.58708 | 0 | 0.044188 | 65 | 65 | [
"Ce",
"Ni",
"Si"
] |
mp-32868 | mp-32868 | Ag2S | # generated using pymatgen
data_Ag2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43547600
_cell_length_b 4.61998950
_cell_length_c 9.80554151
_cell_angle_alpha 99.78439136
_cell_angle_beta 98.19773345
_cell_angle_gamma 94.86924009
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag... | # generated using pymatgen
data_Ag2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43547600
_cell_length_b 4.61998950
_cell_length_c 9.80554151
_cell_angle_alpha 99.78439136
_cell_angle_beta 98.19773345
_cell_angle_gamma 94.86924009
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag... | [
[
0.6436747629758951,
3.082634461937875,
7.322849138693027
],
[
3.259394063598919,
0.5299117788111193,
7.1031691000066735
],
[
3.683865679028077,
2.151085857056499,
0.016437849313395432
],
[
2.45414056818391,
0.03821148558703908,
4.2652595406785885
],
... | [
[
4.3901537400750685,
0,
-0.6324535438124216
],
[
-0.509309107355841,
4.52421093855542,
-0.7851258477022214
],
[
0,
0,
9.80554151
]
] | [
47,
47,
47,
47,
47,
47,
16,
16,
16
] | [
1,
1,
1
] | -0.170199 | 0.6053 | 0.052482 | 1 | 1 | [
"Ag",
"S"
] |
mp-1120739 | mp-1120739 | CaCl2 | # generated using pymatgen
data_CaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76907744
_cell_length_b 4.76907744
_cell_length_c 4.76907744
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74449400
_cell_length_b 6.74449400
_cell_length_c 6.74449400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0,
0,
0
],
[
4.1301422156552565,
2.920451567954664,
7.153616159999999
],
[
1.3767140718850852,
0.9734838559848872,
2.3845387199999992
]
] | [
[
4.130142215655257,
0,
2.3845387199999997
],
[
1.3767140718850848,
3.8939354239395523,
2.3845387199999992
],
[
0,
0,
4.769077439999999
]
] | [
20,
17,
17
] | [
1,
1,
1
] | -2.749142 | 5.0285 | 0.054356 | 225 | 225 | [
"Ca",
"Cl"
] |
mp-1104669 | mp-1104669 | Ca5Pd2 | # generated using pymatgen
data_Ca5Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97442739
_cell_length_b 8.97442739
_cell_length_c 7.68046761
_cell_angle_alpha 83.13658573
_cell_angle_beta 83.13658573
_cell_angle_gamma 43.57384907
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca5Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.66677800
_cell_length_b 6.66182400
_cell_length_c 7.68046761
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.39421963
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9090567612082164,
6.998389208273123,
0.29566328930788655
],
[
-0.0954972218149483,
4.426507794242767,
6.756863337229065
],
[
4.910050714847987,
0.6182087934041364,
5.288350442300298
],
[
5.914604697871152,
3.1900902074344923,
-1.172849605620879
],
... | [
[
6.185973592282002,
0,
-2.472575523495202
],
[
-0.3668661162257994,
7.616598001677259,
-0.9178381348966138
],
[
0,
0,
8.97442739
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.501367 | 0 | 0 | 15 | 15 | [
"Ca",
"Pd"
] |
mp-30469 | mp-30469 | TlBi2 | # generated using pymatgen
data_TlBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71386454
_cell_length_b 5.71386454
_cell_length_c 3.44765800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000624
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TlBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71386454
_cell_length_b 5.71386454
_cell_length_c 3.44765800
_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
],
[
1.7238290000000007,
1.6494505114262397,
2.8569324496392627
],
[
1.7238290000000014,
3.2989010228524793,
3.592785238627519e-7
]
] | [
[
3.447658,
0,
2.111081667127383e-16
],
[
1.894510379542665e-15,
4.948351534278719,
-2.856931731082214
],
[
0,
0,
5.71386454
]
] | [
81,
83,
83
] | [
1,
1,
1
] | -0.016666 | 0 | 0 | 191 | 191 | [
"Tl",
"Bi"
] |
mp-1207234 | mp-1207234 | Yb2GaNi2 | # generated using pymatgen
data_Yb2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09530800
_cell_length_b 5.25661000
_cell_length_c 5.41597247
_cell_angle_alpha 119.03132557
_cell_angle_beta 112.21461124
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Yb2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09530800
_cell_length_b 5.25661000
_cell_length_c 8.53976199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.02703903133730296,
3.1303460916017736,
0.06620885405931222
],
[
2.722501604602413,
1.3461685213895138,
1.2504539780656037
],
[
0,
0,
0
],
[
1.6229215351914144,
1.171964955224958,
3.973950659537488
],
[
1.1266191007483015,
3.304549657766329,... | [
[
3.7913304872877864,
0,
-1.5483412902284042
],
[
-1.0417898513480706,
4.476514612991287,
-2.550968348961552
],
[
0,
0,
5.415972471314872
]
] | [
70,
70,
31,
28,
28
] | [
1,
1,
1
] | -0.516512 | 0 | 0 | 71 | 71 | [
"Ga",
"Ni",
"Yb"
] |
mp-1019742 | mp-1019742 | HeSiO2 | # generated using pymatgen
data_HeSiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.14819719
_cell_length_b 9.14819719
_cell_length_c 9.14819738
_cell_angle_alpha 32.96491436
_cell_angle_beta 32.96491436
_cell_angle_gamma 32.96491950
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HeSiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19108564
_cell_length_b 5.19108564
_cell_length_c 25.92997321
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.928829562702904,
3.011882104619925,
10.786412609301117
],
[
2.3199289032292594,
1.4176494152893704,
1.3074328177826111
],
[
1.3044503297368226,
0.7971163446652774,
4.7394898957592515
],
[
5.944308136195341,
3.6324151752440175,
7.354355531324473
],
... | [
[
4.977766132121563,
0,
1.4728240235418637
],
[
2.2709923338106,
4.429531519909295,
1.472824023541864
],
[
0,
0,
9.14819738
]
] | [
2,
2,
2,
2,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.427703 | 6.5469 | 0.022682 | 167 | 167 | [
"He",
"O",
"Si"
] |
mp-756191 | mp-756191 | Mn5CuO12 | # generated using pymatgen
data_Mn5CuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06899170
_cell_length_b 5.08133009
_cell_length_c 9.66626272
_cell_angle_alpha 90.07043847
_cell_angle_beta 90.14121659
_cell_angle_gamma 60.08028958
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn5CuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06899170
_cell_length_b 8.80823380
_cell_length_c 9.66626272
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.14121659
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5344882311368164,
2.9366563404025334,
4.826884509212084
],
[
5.068978917375515,
2.9337452191319144,
-0.012493608476761791
],
[
2.534485657050026,
1.4703716804426694,
-0.0062467949865084235
],
[
5.068976343288724,
1.4674605591720504,
4.820637807324647
... | [
[
5.068976303658329,
0,
-0.012493503080956399
],
[
2.534488270767212,
4.404116899574584,
-0.0062469003823138166
],
[
0,
0,
9.66626272
]
] | [
25,
25,
25,
25,
25,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.557574 | 0 | 0.062997 | 12 | 12 | [
"Cu",
"Mn",
"O"
] |
mp-1272202 | mp-1272202 | FeMoClO4 | # generated using pymatgen
data_FeMoClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54171362
_cell_length_b 6.75098197
_cell_length_c 6.75053021
_cell_angle_alpha 90.06780495
_cell_angle_beta 89.99843568
_cell_angle_gamma 89.94490051
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_FeMoClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75075609
_cell_length_b 6.75075609
_cell_length_c 5.54171362
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.0593087973628,
5.062846856525892,
5.062316490387561
],
[
1.3711007234909236,
1.6932680588441122,
1.677743786913838
],
[
0.02735198405387084,
1.6868010554340105,
5.058478384926402
],
[
0.02637296463278648,
5.064804508915172,
1.6829043381341364
],
[
... | [
[
5.541711057499593,
0,
0.0053292851536159355
],
[
0.0001919891529467738,
6.750525480272339,
-0.00798870807613356
],
[
0,
0,
6.75098197
]
] | [
26,
26,
42,
42,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.737962 | 2.0568 | 0.025873 | 99 | 99 | [
"Cl",
"Fe",
"Mo",
"O"
] |
mp-1101830 | mp-1101830 | Yb3Ga8 | # generated using pymatgen
data_Yb3Ga8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19561700
_cell_length_b 4.31360400
_cell_length_c 13.31739415
_cell_angle_alpha 99.32031742
_cell_angle_beta 99.06320858
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Yb3Ga8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19561700
_cell_length_b 4.31360400
_cell_length_c 25.94612799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.4864237068024586,
1.4932001603853058,
8.538941661586883
],
[
0.5453734596173094,
2.7619981810373466,
3.4189378091214695
],
[
0,
0,
0
],
[
1.0085984109487354,
1.0644846722886325,
6.322887724257529
],
[
3.023198755471032,
3.19071366913402,
... | [
[
4.14323539907953,
0,
-0.6609103104834184
],
[
-0.11143823265976248,
4.255198341422652,
-0.6986043689181815
],
[
0,
0,
13.317394150109951
]
] | [
70,
70,
70,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.485278 | 0 | 0.03498 | 71 | 71 | [
"Ga",
"Yb"
] |
mp-863654 | mp-863654 | Pm2CdSi | # generated using pymatgen
data_Pm2CdSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24547932
_cell_length_b 5.24547932
_cell_length_c 5.24547932
_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_Pm2CdSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41822800
_cell_length_b 7.41822800
_cell_length_c 7.41822800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.542718346145922,
3.2121869475803195,
7.868218979999998
],
[
1.5142394487153072,
1.070728982526773,
2.6227396599999993
],
[
3.0284788974306154,
2.141457965053546,
5.2454793199999985
],
[
0,
0,
0
]
] | [
[
4.542718346145923,
0,
2.6227396599999997
],
[
1.5142394487153066,
4.282915930107094,
2.6227396599999993
],
[
0,
0,
5.245479319999999
]
] | [
61,
61,
48,
14
] | [
1,
1,
1
] | -0.374223 | 0 | 0 | 225 | 225 | [
"Pm",
"Cd",
"Si"
] |
mp-1094600 | mp-1094600 | LiMg2 | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88579166
_cell_length_b 5.88579166
_cell_length_c 7.37704918
_cell_angle_alpha 75.29884993
_cell_angle_beta 75.29884993
_cell_angle_gamma 31.57851631
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.32742999
_cell_length_b 3.20304600
_cell_length_c 7.37704918
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.29138867
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.82860574799614e-16,
5.160202713190152,
0.02971512677219532
],
[
1.6015229988903636,
0.3030001576209239,
5.8536533841045895
],
[
7.635633678368333e-16,
2.095149227361789,
0.4275573612313488
],
[
1.6015229988903632,
3.9477868792882744,
2.3962093712339567... | [
[
3.2030459977807264,
0,
1.9613000143519535e-16
],
[
-1.6015229988903632,
5.463202870811076,
-1.4936806691232163
],
[
0,
0,
7.37704918
]
] | [
3,
3,
12,
12,
12,
12
] | [
1,
1,
1
] | -0.029371 | 0 | 0.027993 | 12 | 12 | [
"Li",
"Mg"
] |
mp-1008224 | mp-1008224 | CrCo2Si | # generated using pymatgen
data_CrCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98492289
_cell_length_b 3.98492289
_cell_length_c 3.98492289
_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_CrCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63553200
_cell_length_b 5.63553200
_cell_length_c 5.63553200
_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
],
[
3.4510444548621027,
2.4402569362092246,
5.977384335
],
[
1.1503481516207021,
0.8134189787364073,
1.9924614449999998
],
[
2.300696303241402,
1.6268379574728158,
3.9849228900000004
]
] | [
[
3.451044454862102,
0,
1.9924614450000004
],
[
1.1503481516207008,
3.2536759149456325,
1.9924614450000002
],
[
0,
0,
3.98492289
]
] | [
24,
27,
27,
14
] | [
1,
1,
1
] | -0.306697 | 0 | 0.018481 | 225 | 225 | [
"Cr",
"Co",
"Si"
] |
mp-23060 | mp-23060 | Cs2PtI6 | # generated using pymatgen
data_Cs2PtI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30012688
_cell_length_b 8.30012688
_cell_length_c 8.30012688
_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_Cs2PtI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.73815200
_cell_length_b 11.73815200
_cell_length_c 11.73815200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.396040244238025,
1.6942563046965802,
4.150063440000003
],
[
7.188120732714074,
5.082768914089737,
12.450190320000003
],
[
0,
0,
0
],
[
3.504381372095695,
5.209594164034104,
10.530487174432322
],
[
3.504381372095697,
5.209594164034104,
6... | [
[
7.188120732714073,
0,
4.150063440000001
],
[
2.3960402442380246,
6.7770252187863145,
4.150063440000001
],
[
0,
0,
8.30012688
]
] | [
55,
55,
78,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.073388 | 0.902 | 0 | 225 | 225 | [
"Cs",
"Pt",
"I"
] |
mp-1228429 | mp-1228429 | Ba2Fe4AsP3 | # generated using pymatgen
data_Ba2Fe4AsP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81582443
_cell_length_b 6.81582443
_cell_length_c 5.46403600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 132.79107794
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba2Fe4AsP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45839000
_cell_length_b 12.49111001
_cell_length_c 5.46403600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4866726981963803,
2.732018,
5.690561173872957
],
[
4.989785967869836,
5.464036,
4.602920914045982
],
[
2.5246405649692663,
1.345420512352,
2.321913366417123
],
[
4.990541223815391,
4.1186154876479995,
1.2443592100765455
],
[
4.99054122381539,
... | [
[
5.00169500367358,
0,
-2.1856505940828694
],
[
2.0919437199410014e-15,
5.464036,
3.3457570989129535e-16
],
[
0,
0,
6.81582443
]
] | [
56,
56,
26,
26,
26,
26,
33,
15,
15,
15
] | [
1,
1,
1
] | -0.740668 | 0 | 0.008938 | 38 | 38 | [
"As",
"Ba",
"Fe",
"P"
] |
mp-1218457 | mp-1218457 | Sr4ZrTi3O12 | # generated using pymatgen
data_Sr4ZrTi3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02813100
_cell_length_b 4.02813100
_cell_length_c 15.99857600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sr4ZrTi3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02813100
_cell_length_b 4.02813100
_cell_length_c 15.99857600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.0140655,
2.0140655,
13.815666296256
],
[
2.0140655,
2.0140655,
9.950842296208
],
[
2.0140655,
2.0140655,
6.047733703792
],
[
2.0140655,
2.0140655,
2.1829097037440004
],
[
0,
0,
0
],
[
0,
0,
11.924682608784
],
[
0... | [
[
4.028131,
0,
2.4665188678481134e-16
],
[
-2.4665188678481134e-16,
4.028131,
2.4665188678481134e-16
],
[
0,
0,
15.998576
]
] | [
38,
38,
38,
38,
40,
22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.542866 | 1.7402 | 0.036882 | 123 | 123 | [
"O",
"Sr",
"Ti",
"Zr"
] |
mp-1221873 | mp-1221873 | Mn3V2Ga2Co | # generated using pymatgen
data_Mn3V2Ga2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08665717
_cell_length_b 4.08665717
_cell_length_c 7.08430269
_cell_angle_alpha 73.23598756
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Mn3V2Ga2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08665717
_cell_length_b 4.08665717
_cell_length_c 20.03955591
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.845182637656211,
1.7421293216712004,
4.7234622806308275
],
[
4.272425510037968,
2.616036174190967,
7.069762312515588
],
[
1.4207007076972626,
0.8699058273163045,
2.3680109330819046
],
[
0.716889317499021,
0.43895916668200347,
4.7044494521499765
],
... | [
[
3.9129777141641986,
0,
1.1787163499191555
],
[
1.7789549766609367,
3.485213591866571,
1.1787163506095106
],
[
0,
0,
7.084302689309643
]
] | [
25,
25,
25,
23,
23,
31,
31,
27
] | [
1,
1,
1
] | -0.258372 | 0 | 0.010366 | 160 | 160 | [
"Co",
"Ga",
"Mn",
"V"
] |
mp-1105305 | mp-1105305 | NdMn3V4O12 | # generated using pymatgen
data_NdMn3V4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55915516
_cell_length_b 6.55915516
_cell_length_c 6.55915516
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_NdMn3V4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57385999
_cell_length_b 7.57385999
_cell_length_c 7.57385999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
1.5460076977967958,
2.6777638808830235,
4.372770106424323
],
[
-8.881784197001252e-16,
5.355527761766047,
-4.440892098500626e-16
],
[
4.638023093390388,
2.677763880883023,
-7.270321322280871e-10
],
[
1.5460076977967958,
2.6777638... | [
[
6.184030791187185,
0,
-2.1863850543027086
],
[
-3.0920153955935934,
5.355527761766047,
-2.186385052848646
],
[
0,
0,
6.5591551599999995
]
] | [
60,
25,
25,
25,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.500969 | 0 | 0.067793 | 204 | 204 | [
"Mn",
"Nd",
"O",
"V"
] |
mp-1209139 | mp-1209139 | Sb4Te7Pb | # generated using pymatgen
data_Sb4Te7Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38042806
_cell_length_b 4.38042806
_cell_length_c 24.15756500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000095
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sb4Te7Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38042806
_cell_length_b 4.38042806
_cell_length_c 24.15756500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.1902139985501807,
1.2645206658559158,
22.210223685350005
],
[
5.993620425524868e-17,
2.5290413317118317,
1.9473413146500025
],
[
2.1902139985501807,
1.2645206658559158,
16.088165247920003
],
[
5.993620425524868e-17,
2.5290413317118317,
8.06939975208
... | [
[
4.380427997100361,
0,
1.2408742602959161e-15
],
[
-2.1902139985501803,
3.793561997567747,
2.682238601287125e-16
],
[
0,
0,
24.157565
]
] | [
51,
51,
51,
51,
52,
52,
52,
52,
52,
52,
52,
82
] | [
1,
1,
1
] | -0.413882 | 0.4956 | 0.008245 | 164 | 164 | [
"Pb",
"Sb",
"Te"
] |
mp-29362 | mp-29362 | GaCuCl4 | # generated using pymatgen
data_GaCuCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57895300
_cell_length_b 5.57895300
_cell_length_c 10.23143400
_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_GaCuCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57895300
_cell_length_b 5.57895300
_cell_length_c 10.23143400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7894765,
0,
2.5578585
],
[
-1.708061733510881e-16,
2.7894765,
7.6735755
],
[
0,
0,
0
],
[
0,
0,
5.115717
],
[
4.3059196096950005,
4.085824334892,
6.398749055034
],
[
4.085824334892,
1.273033390305,
3.8326849449660005
]... | [
[
5.578953,
0,
3.416123467021762e-16
],
[
-3.416123467021762e-16,
5.578953,
3.416123467021762e-16
],
[
0,
0,
10.231434
]
] | [
31,
31,
29,
29,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.314897 | 1.8316 | 0 | 112 | 112 | [
"Ga",
"Cu",
"Cl"
] |
mp-8623 | mp-8623 | K2Te2Pt | # generated using pymatgen
data_K2Te2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88943966
_cell_length_b 6.88943966
_cell_length_c 6.88943966
_cell_angle_alpha 145.97413965
_cell_angle_beta 109.30092744
_cell_angle_gamma 80.83287489
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K2Te2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03152800
_cell_length_b 7.97195000
_cell_length_c 10.49058199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.055045394289401,
4.486986841823217,
7.415560734250331
],
[
1.2113102585088045,
1.8602384376963013,
2.930617882269143
],
[
3.0278387814722922,
4.948633230853231,
3.883252643634801
],
[
2.2385168713259134,
1.3985920486662866,
6.462925972884672
],
[
... | [
[
3.8551032969386614,
0,
1.1795747403812564
],
[
1.4112523558595436,
6.347225279519518,
2.2771642162765033
],
[
0,
0,
6.889439659861714
]
] | [
19,
19,
52,
52,
78
] | [
1,
1,
1
] | -0.976281 | 0.9854 | 0 | 71 | 71 | [
"K",
"Te",
"Pt"
] |
mp-9588 | mp-9588 | LiP | # generated using pymatgen
data_LiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97038500
_cell_length_b 5.59387200
_cell_length_c 10.25075076
_cell_angle_alpha 61.84448216
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | # generated using pymatgen
data_LiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59387200
_cell_length_b 4.97038500
_cell_length_c 10.25075076
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.15551784
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
3.0406479349049995,
4.948402285614289,
5.6684448710043025
],
[
0.5554554349049998,
3.4131348734756752,
7.235428633116429
],
[
1.929737065095,
0.6259558204456872,
2.9341374650761844
],
[
4.414929565095,
2.1612232325843013,
1.3671537029640597
],
[
... | [
[
4.970385,
0,
3.043483040390009e-16
],
[
-3.413309905943726e-16,
5.574358106059976,
-0.4668357931729707
],
[
0,
0,
9.069418129253458
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.523253 | 0.8537 | 0 | 14 | 14 | [
"Li",
"P"
] |
mp-1105580 | mp-1105580 | U2Si5Os3 | # generated using pymatgen
data_U2Si5Os3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.11579186
_cell_length_b 8.11579186
_cell_length_c 5.76524983
_cell_angle_alpha 70.35241682
_cell_angle_beta 70.35241682
_cell_angle_gamma 92.87610760
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_U2Si5Os3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.18580800
_cell_length_b 11.76188800
_cell_length_c 5.76524983
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.20295080
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-0.5131608843071833,
4.471628548709857,
6.343028339623494
],
[
1.0167624288400574,
0.9876908935384432,
2.725849945749245
],
[
2.8998627488082676,
3.0410998780557166,
-0.5729302109604951
],
[
1.3699394356610268,
6.52503753322713,
3.044248182913754
],
... | [
[
5.429588573802762,
0,
-1.938471955315713
],
[
-3.0428867093016767,
7.512728426765573,
-0.40722177602128873
],
[
0,
0,
8.11579186
]
] | [
92,
92,
92,
92,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
76,
76,
76,
76,
76,
76
] | [
1,
1,
1
] | -0.475734 | 0 | 0 | 15 | 15 | [
"Os",
"Si",
"U"
] |
mp-1111572 | mp-1111572 | K2TlPdF6 | # generated using pymatgen
data_K2TlPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44932013
_cell_length_b 6.44932013
_cell_length_c 6.44932013
_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_K2TlPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.12071600
_cell_length_b 9.12071600
_cell_length_c 9.12071600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.585275069718358,
3.9493858765900196,
9.673980195000002
],
[
1.861758356572787,
1.316461958863342,
3.224660065000001
],
[
3.7235167131455715,
2.6329239177266808,
6.449320130000002
],
[
0,
0,
0
],
[
1.7161614060553683,
1.2135093678323927,
... | [
[
5.585275069718358,
0,
3.224660065000001
],
[
1.8617583565727864,
5.265847835453358,
3.224660065000001
],
[
0,
0,
6.44932013
]
] | [
19,
19,
81,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.268817 | 0 | 0.078843 | 225 | 225 | [
"F",
"K",
"Pd",
"Tl"
] |
mvc-8086 | mvc-8086 | Sn(GeO3)2 | # generated using pymatgen
data_Sn(GeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85867162
_cell_length_b 6.85867162
_cell_length_c 5.65510757
_cell_angle_alpha 76.89802676
_cell_angle_beta 76.89802676
_cell_angle_gamma 83.96344693
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sn(GeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.19690000
_cell_length_b 9.17544200
_cell_length_c 5.65510757
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.75497437
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.5263726937236217,
0.6975443085107325,
6.5372495544245535
],
[
5.40996109487676,
5.971840698619388,
2.3246272047086665
],
[
2.1812090431743196,
4.106313671349987,
6.155619302492598
],
[
1.7542331246136293,
1.4100880639025002,
3.126308059254941
],
[
... | [
[
5.507894719847167,
0,
1.2819272145293605
],
[
1.4284390687532142,
6.669385007130121,
0.7212779246038579
],
[
0,
0,
6.858671620000001
]
] | [
50,
50,
32,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.045008 | 1.9961 | 0.042201 | 15 | 15 | [
"Ge",
"O",
"Sn"
] |
mp-1208885 | mp-1208885 | SmVSb3 | # generated using pymatgen
data_SmVSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03701700
_cell_length_b 6.27042800
_cell_length_c 13.09078100
_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_SmVSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03701700
_cell_length_b 6.27042800
_cell_length_c 13.09078100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5092542499999997,
3.151843175056,
4.049960371875001
],
[
4.52776275,
3.118584824944,
9.040820628125001
],
[
1.50925425,
0.016629175056,
9.040820628125001
],
[
4.52776275,
6.253798824944,
4.049960371875001
],
[
-2.8796473423064776e-16,
4.702... | [
[
6.037017,
0,
3.696606772724078e-16
],
[
-3.83952978974197e-16,
6.270428,
3.83952978974197e-16
],
[
0,
0,
13.090781
]
] | [
62,
62,
62,
62,
23,
23,
23,
23,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.641169 | 0 | 0.005092 | 57 | 57 | [
"Sb",
"Sm",
"V"
] |
mp-1185113 | mp-1185113 | La3Cd | # generated using pymatgen
data_La3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29524209
_cell_length_b 7.29524209
_cell_length_c 5.67500600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000080
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_La3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29524209
_cell_length_b 7.29524209
_cell_length_c 5.67500600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.256254500000002,
5.205851202317893,
-1.7215566890581186
],
[
4.256254500000001,
2.224027446898379,
3.1053281331146545e-8
],
[
4.256254500000002,
5.205851202317893,
1.721556834432911
],
[
1.4187514999999997,
1.1120137234491903,
5.369177822272157
],
... | [
[
5.675006,
0,
3.474938966521012e-16
],
[
2.4188379898840292e-15,
6.317864925767084,
-3.647620956785963
],
[
0,
0,
7.29524209
]
] | [
57,
57,
57,
57,
57,
57,
48,
48
] | [
1,
1,
1
] | -0.116473 | 0 | 0.045808 | 194 | 194 | [
"Cd",
"La"
] |
mp-18829 | mp-18829 | Sr2ZnMoO6 | # generated using pymatgen
data_Sr2ZnMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68972340
_cell_length_b 5.68972340
_cell_length_c 5.68972340
_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_Sr2ZnMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04648400
_cell_length_b 8.04648400
_cell_length_c 8.04648400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.927445004906768,
3.4842297768933563,
8.5345851
],
[
1.6424816683022556,
1.1614099256311177,
2.844861699999999
],
[
3.284963336604512,
2.3228198512622376,
5.689723399999999
],
[
0,
0,
0
],
[
4.135709711445023,
1.1196827898230433,
4.21618... | [
[
4.927445004906768,
0,
2.8448617
],
[
1.642481668302256,
4.645639702524475,
2.8448617
],
[
0,
0,
5.689723399999999
]
] | [
38,
38,
30,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.548136 | 2.3708 | 0.025288 | 225 | 225 | [
"Sr",
"Zn",
"Mo",
"O"
] |
mp-1188172 | mp-1188172 | Ti5CuSb3 | # generated using pymatgen
data_Ti5CuSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18869844
_cell_length_b 8.18869844
_cell_length_c 5.50063200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000356
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ti5CuSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18869844
_cell_length_b 8.18869844
_cell_length_c 5.50063200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.750316000000001,
2.363873539524279,
4.094349366876261
],
[
2.750316000000002,
4.727747079048558,
2.937525231810013e-7
],
[
5.500632000000002,
4.727747079048558,
2.937525231810013e-7
],
[
5.500632000000001,
2.363873539524279,
4.094349366876261
],
[
... | [
[
5.500632,
0,
3.3681656860437524e-16
],
[
2.7150756724932934e-15,
7.091620618572836,
-4.094348779371215
],
[
0,
0,
8.188698440000001
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
29,
29,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.552806 | 0 | 0 | 193 | 193 | [
"Cu",
"Sb",
"Ti"
] |
mp-867241 | mp-867241 | Ac2GePd | # generated using pymatgen
data_Ac2GePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46425816
_cell_length_b 5.46425816
_cell_length_c 5.46425816
_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_Ac2GePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72762800
_cell_length_b 7.72762800
_cell_length_c 7.72762800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.732186379396415,
3.3461610787098204,
8.19638724
],
[
1.5773954597988051,
1.1153870262366068,
2.7321290800000004
],
[
0,
0,
0
],
[
3.15479091959761,
2.230774052473213,
5.46425816
]
] | [
[
4.732186379396414,
0,
2.7321290799999995
],
[
1.577395459798806,
4.461548104946427,
2.7321290799999995
],
[
0,
0,
5.46425816
]
] | [
89,
89,
32,
46
] | [
1,
1,
1
] | -0.665207 | 0 | 0 | 225 | 225 | [
"Ac",
"Ge",
"Pd"
] |
mp-865131 | mp-865131 | Hf2OsRh | # generated using pymatgen
data_Hf2OsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61919343
_cell_length_b 4.61919343
_cell_length_c 4.61919343
_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_Hf2OsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53252600
_cell_length_b 6.53252600
_cell_length_c 6.53252600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.000338855374176,
2.8286667316791116,
6.928790145
],
[
1.333446285124725,
0.9428889105597039,
2.3095967149999996
],
[
2.666892570249451,
1.8857778211194074,
4.619193429999999
],
[
0,
0,
0
]
] | [
[
4.000338855374176,
0,
2.3095967149999996
],
[
1.3334462851247246,
3.7715556422388157,
2.3095967149999996
],
[
0,
0,
4.61919343
]
] | [
72,
72,
76,
45
] | [
1,
1,
1
] | -0.789178 | 0 | 0 | 225 | 225 | [
"Hf",
"Os",
"Rh"
] |
mp-29628 | mp-29628 | Na4SnS4 | # generated using pymatgen
data_Na4SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92937100
_cell_length_b 7.92937100
_cell_length_c 7.00601600
_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_Na4SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92937100
_cell_length_b 7.92937100
_cell_length_c 7.00601600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.2163667921279999,
1.5716092615709998,
3.222409151319
],
[
6.789649207871999,
4.706961848681,
1.5716092615710004
],
[
6.789649207871999,
3.222409151319,
6.357761738429001
],
[
0.2163667921279996,
6.357761738429,
4.706961848681
],
[
3.28664120787... | [
[
7.006016,
0,
4.289947534587571e-16
],
[
-4.855339407200924e-16,
7.929371,
4.855339407200924e-16
],
[
0,
0,
7.929371
]
] | [
11,
11,
11,
11,
11,
11,
11,
11,
50,
50,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.184749 | 2.0781 | 0 | 114 | 114 | [
"Na",
"S",
"Sn"
] |
mp-1008556 | mp-1008556 | AlGaN2 | # generated using pymatgen
data_AlGaN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16418100
_cell_length_b 3.16418100
_cell_length_c 4.46733100
_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_AlGaN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16418100
_cell_length_b 3.16418100
_cell_length_c 4.46733100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5820905,
1.5820905,
2.2336655
],
[
0,
0,
0
],
[
1.5820905,
0,
3.300379263511
],
[
-9.687510333932179e-17,
1.5820905,
1.1669517364889999
]
] | [
[
3.164181,
0,
1.9375020667864358e-16
],
[
-1.9375020667864358e-16,
3.164181,
1.9375020667864358e-16
],
[
0,
0,
4.467331
]
] | [
13,
31,
7,
7
] | [
1,
1,
1
] | -1.105076 | 2.6691 | 0.015531 | 115 | 115 | [
"Al",
"Ga",
"N"
] |
mp-20868 | mp-20868 | Fe2W | # generated using pymatgen
data_Fe2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67955208
_cell_length_b 4.67955208
_cell_length_c 7.79476700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000110
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | # generated using pymatgen
data_Fe2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67955208
_cell_length_b 4.67955208
_cell_length_c 7.79476700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | [
[
0,
0,
0
],
[
0,
0,
3.8973835
],
[
2.3397760010977255,
2.6709462279139493,
5.846075250000001
],
[
1.1432215734643518,
3.3617826676042504,
1.9486917500000012
],
[
-1.1432215734643532,
3.3617826676042504,
1.9486917500000005
],
[
3.48... | [
[
4.679552002195453,
0,
1.3256091946002412e-15
],
[
-2.3397760010977273,
4.052611002072547,
2.865399238107669e-16
],
[
0,
0,
7.794767
]
] | [
26,
26,
26,
26,
26,
26,
26,
26,
74,
74,
74,
74
] | [
1,
1,
1
] | -0.023244 | 0 | 0 | 194 | 194 | [
"Fe",
"W"
] |
mp-1224691 | mp-1224691 | Fe2SbTe3 | # generated using pymatgen
data_Fe2SbTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74308100
_cell_length_b 5.37607000
_cell_length_c 6.28867652
_cell_angle_alpha 89.25927784
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Fe2SbTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37607000
_cell_length_b 3.74308100
_cell_length_c 6.28867652
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.74072216
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8715404999999998,
2.664840344358508,
3.1190729329546567
],
[
3.743081,
0.016616043718442455,
6.261149973018597
],
[
1.8715404999999998,
3.8529277873826953,
0.8661510193399987
],
[
1.8715405,
1.5351536450927012,
5.394652540005394
],
[
-7.3060102... | [
[
3.743081,
0,
2.291976082799637e-16
],
[
-3.291618368534876e-16,
5.3756207435917505,
-0.06950011486375328
],
[
0,
0,
6.28867652
]
] | [
26,
26,
51,
52,
52,
52
] | [
1,
1,
1
] | -0.383843 | 0 | 0.016759 | 6 | 6 | [
"Fe",
"Sb",
"Te"
] |
mp-1219735 | mp-1219735 | PrYMg6 | # generated using pymatgen
data_PrYMg6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.06505436
_cell_length_b 9.06505436
_cell_length_c 9.06505424
_cell_angle_alpha 33.39502831
_cell_angle_beta 33.39502831
_cell_angle_gamma 33.39502803
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrYMg6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20912400
_cell_length_b 5.20912400
_cell_length_c 25.65486250
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.6298721727607877,
2.2215325128262786,
6.029207119643167
],
[
0,
0,
0
],
[
4.541906595144318,
2.779710328933984,
2.9887588456426295
],
[
0.8998235323943627,
0.5507045807345576,
6.065313398175704
],
[
6.359920813127212,
3.892360444918,
5.... | [
[
4.98948112609499,
0,
1.4966799996431666
],
[
2.2702632194265857,
4.443065025652558,
1.4966799996431666
],
[
0,
0,
9.06505424
]
] | [
59,
39,
12,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | -0.105136 | 0 | 0.0033 | 166 | 166 | [
"Mg",
"Pr",
"Y"
] |
mp-1080847 | mp-1080847 | Mg3SbN | # generated using pymatgen
data_Mg3SbN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37754500
_cell_length_b 4.37754500
_cell_length_c 4.37754500
_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_Mg3SbN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37754500
_cell_length_b 4.37754500
_cell_length_c 4.37754500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.340236618093375e-16,
2.1887725,
2.1887725
],
[
2.1887725,
0,
2.1887725
],
[
2.1887725,
2.1887725,
2.68047323618675e-16
],
[
0,
0,
0
],
[
2.1887725,
2.1887725,
2.1887725000000002
]
] | [
[
4.377545,
0,
2.68047323618675e-16
],
[
-2.68047323618675e-16,
4.377545,
2.68047323618675e-16
],
[
0,
0,
4.377545
]
] | [
12,
12,
12,
51,
7
] | [
1,
1,
1
] | -0.724407 | 1.6234 | 0 | 221 | 221 | [
"Mg",
"N",
"Sb"
] |
mp-1215914 | mp-1215914 | YCuSi | # generated using pymatgen
data_YCuSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05151979
_cell_length_b 4.05151979
_cell_length_c 3.97513600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999655
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YCuSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05151979
_cell_length_b 4.05151979
_cell_length_c 3.97513600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
8.9555816275963e-16,
2.3391461227028056,
-1.4084901245135247e-7
],
[
1.9875680000000004,
1.1695730613514033,
2.025759824575494
],
[
1.987568,
0,
1.2170343946438532e-16
]
] | [
[
3.975136,
0,
2.4340687892877064e-16
],
[
1.3433372441394446e-15,
3.508719184054208,
-2.025760106273519
],
[
0,
0,
4.05151979
]
] | [
39,
29,
14
] | [
1,
1,
1
] | -0.626707 | 0 | 0.030308 | 187 | 187 | [
"Cu",
"Si",
"Y"
] |
mp-1027692 | mp-1027692 | MoSe2 | # generated using pymatgen
data_MoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32694845
_cell_length_b 3.32694845
_cell_length_c 40.90284600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000887
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32694845
_cell_length_b 3.32694845
_cell_length_c 40.90284600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.6048370032965363e-16,
1.9208146690287076,
3.862864776239994
],
[
-1.6048370032965363e-16,
1.9208146690287076,
29.314292574126
],
[
1.663474001978001,
0.9604073345143538,
11.588553425873995
],
[
1.663474001978001,
0.9604073345143538,
37.03998122376
]... | [
[
3.3269480039560015,
0,
9.424476663432516e-16
],
[
-1.6634740019780014,
2.8812220035430616,
2.0371683851103738e-16
],
[
0,
0,
40.902846
]
] | [
42,
42,
42,
42,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.987722 | 1.5906 | 0 | 164 | 164 | [
"Mo",
"Se"
] |
mp-1213076 | mp-1213076 | CsLu(MoO4)2 | # generated using pymatgen
data_CsLu(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00179394
_cell_length_b 6.00179394
_cell_length_c 8.16538600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999931
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_CsLu(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00179394
_cell_length_b 6.00179394
_cell_length_c 8.16538600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
0,
0,
4.082693
],
[
3.0008970012973935,
1.732568667416646,
5.993385158614002
],
[
1.4062161064256327e-15,
3.4651373348332926,
2.172000841386001
],
[
3.0008970012973952,
3.448688327904838,
5.4162801722920015
],
[
9.823... | [
[
6.001794002594787,
0,
1.7001698688685561e-15
],
[
-3.0008970012973912,
5.197706002249938,
3.6750388688814903e-16
],
[
0,
0,
8.165386
]
] | [
55,
71,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.587418 | 4.0118 | 0 | 164 | 164 | [
"Cs",
"Lu",
"Mo",
"O"
] |
mp-30800 | mp-30800 | NdZn2 | # generated using pymatgen
data_NdZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78929311
_cell_length_b 5.78929311
_cell_length_c 5.78929311
_cell_angle_alpha 133.09713620
_cell_angle_beta 99.77597102
_cell_angle_gamma 98.45117168
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60794800
_cell_length_b 7.45989800
_cell_length_c 7.56177200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
2.5515208527688045,
1.5343586311442532,
5.69686063160849
],
[
3.7607933290351925,
3.7762373426905707,
2.9092648096168485
],
[
2.5539642485716523,
4.7243221101113795,
5.691228154156654
],
[
3.7583499332323442,
0.5862738637234429,
2.9148972870686856
],
... | [
[
4.227321147040214,
0,
1.83383224846764
],
[
2.084993034763783,
5.310595973834823,
0.9830000819783009
],
[
0,
0,
5.789293110779399
]
] | [
60,
60,
30,
30,
30,
30
] | [
1,
1,
1
] | -0.366722 | 0 | 0 | 74 | 74 | [
"Nd",
"Zn"
] |
mp-21197 | mp-21197 | NdIn3 | # generated using pymatgen
data_NdIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72355300
_cell_length_b 4.72355300
_cell_length_c 4.72355300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NdIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72355300
_cell_length_b 4.72355300
_cell_length_c 4.72355300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
0,
0,
0
],
[
2.3617765,
0,
2.3617765
],
[
-1.4461710155132194e-16,
2.3617765,
2.3617765
],
[
2.3617765,
2.3617765,
2.892342031026439e-16
]
] | [
[
4.723553,
0,
2.892342031026439e-16
],
[
-2.892342031026439e-16,
4.723553,
2.892342031026439e-16
],
[
0,
0,
4.723553
]
] | [
60,
49,
49,
49
] | [
1,
1,
1
] | -0.462887 | 0 | 0 | 221 | 221 | [
"Nd",
"In"
] |
mp-6068 | mp-6068 | Sr2TbRuO6 | # generated using pymatgen
data_Sr2TbRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89708100
_cell_length_b 5.82291100
_cell_length_c 10.07661616
_cell_angle_alpha 55.12409068
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr2TbRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82291100
_cell_length_b 5.89708100
_cell_length_c 10.07661616
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.87590932
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.05323742156519613,
2.722487694027,
6.205656783599067
],
[
2.858138580031482,
5.671028194027,
6.216365564211175
],
[
2.9646134231618753,
0.22605280597299995,
2.093669662228156
],
[
5.769514581628161,
3.1745933059729996,
2.104378442840264
],
[
2.... | [
[
5.822752003193358,
0,
0.04303049184875501
],
[
-3.6109206854813364e-16,
5.897081,
3.6109206854813364e-16
],
[
0,
0,
8.267004734590575
]
] | [
38,
38,
38,
38,
65,
65,
44,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.84915 | 0.1901 | 0 | 14 | 14 | [
"O",
"Ru",
"Sr",
"Tb"
] |
mp-977435 | mp-977435 | ZrAlRh2 | # generated using pymatgen
data_ZrAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48967693
_cell_length_b 4.48967693
_cell_length_c 4.48967693
_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_ZrAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34936201
_cell_length_b 6.34936201
_cell_length_c 6.34936201
_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
],
[
2.5921161841099525,
1.8329029314075453,
4.489676929999999
],
[
3.8881742761649285,
2.7493543971113175,
6.734515394999999
],
[
1.296058092054976,
0.9164514657037724,
2.2448384649999986
]
] | [
[
3.888174276164929,
0,
2.2448384649999995
],
[
1.2960580920549756,
3.66580586281509,
2.2448384649999995
],
[
0,
0,
4.48967693
]
] | [
40,
13,
45,
45
] | [
1,
1,
1
] | -0.944934 | 0 | 0 | 225 | 225 | [
"Zr",
"Al",
"Rh"
] |
mp-1206892 | mp-1206892 | Ho2MgPd2 | # generated using pymatgen
data_Ho2MgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83195400
_cell_length_b 7.60376000
_cell_length_c 7.60376000
_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_Ho2MgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60376000
_cell_length_b 7.60376000
_cell_length_c 3.83195400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.915977,
1.29996162088,
5.10184162088
],
[
1.9159769999999996,
6.303798379120001,
2.5019183791200006
],
[
1.9159769999999998,
2.50191837912,
1.2999616208800004
],
[
1.9159769999999998,
5.10184162088,
6.303798379120001
],
[
0,
0,
0
],
... | [
[
3.831954,
0,
2.346395100289948e-16
],
[
-4.65596017274234e-16,
7.60376,
4.65596017274234e-16
],
[
0,
0,
7.60376
]
] | [
67,
67,
67,
67,
12,
12,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.787554 | 0 | 0.007117 | 127 | 127 | [
"Ho",
"Mg",
"Pd"
] |
mp-9389 | mp-9389 | HoCuGe | # generated using pymatgen
data_HoCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25891561
_cell_length_b 4.25891561
_cell_length_c 7.16218200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999397
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25891561
_cell_length_b 4.25891561
_cell_length_c 7.16218200
_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,
1.7871506257319993
],
[
0,
0,
5.368241625731999
],
[
-6.613429063981856e-16,
2.458885999185635,
3.323517448734
],
[
2.1294579990860596,
1.2294429995928173,
6.904608448734001
],
[
2.1294579990860596,
1.2294429995928173,
3.76541691595... | [
[
4.258915998172119,
0,
1.2064527124729707e-15
],
[
-2.129457999086061,
3.6883289987784527,
2.6078336848125984e-16
],
[
0,
0,
7.162182
]
] | [
67,
67,
29,
29,
32,
32
] | [
1,
1,
1
] | -0.686106 | 0 | 0 | 186 | 186 | [
"Ho",
"Cu",
"Ge"
] |
mp-1014168 | mp-1014168 | CsPbBr3 | # generated using pymatgen
data_CsPbBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45961172
_cell_length_b 8.45961172
_cell_length_c 8.45961172
_cell_angle_alpha 120.09771597
_cell_angle_beta 120.09771597
_cell_angle_gamma 89.83083414
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CsPbBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44711400
_cell_length_b 8.44711400
_cell_length_c 11.98134600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.881741491326936,
1.7259543811667333,
0.012488488791005331
],
[
0.007196040473120454,
5.1778631435002,
0.012488489004963072
],
[
0,
0,
0
],
[
2.4444687659000284,
3.4519087623334666,
-4.217317371102015
],
[
1.2222343829500142,
1.7259543811667... | [
[
7.319014216753844,
0,
-4.217317371315975
],
[
-2.430076684953787,
6.903817524666931,
-4.217317370888058
],
[
0,
0,
8.45961172
]
] | [
55,
55,
82,
82,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.627911 | 1.8178 | 0.008982 | 140 | 140 | [
"Cs",
"Pb",
"Br"
] |
mp-569886 | mp-569886 | KIn9Ni2 | # generated using pymatgen
data_KIn9Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84172931
_cell_length_b 8.84172931
_cell_length_c 4.36531700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999486
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KIn9Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84172931
_cell_length_b 8.84172931
_cell_length_c 4.36531700
_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
],
[
2.1826585000000005,
1.5936852503647156,
6.081385485095172
],
[
2.1826585000000014,
3.1873705007294304,
-2.859387568089393e-7
],
[
1.4657986512006697e-15,
3.828581296220428,
6.631296639038274
],
[
2.1826585000000023,
6.06347734207... | [
[
4.365317,
0,
2.6729857456567634e-16
],
[
2.9315973024013394e-15,
7.657162592440856,
-4.420865341923453
],
[
0,
0,
8.84172931
]
] | [
19,
49,
49,
49,
49,
49,
49,
49,
49,
49,
28,
28
] | [
1,
1,
1
] | -0.104647 | 0 | 0.022555 | 191 | 191 | [
"K",
"In",
"Ni"
] |
mp-865731 | mp-865731 | Li2HgPd | # generated using pymatgen
data_Li2HgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44737073
_cell_length_b 4.44737073
_cell_length_c 4.44737073
_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_Li2HgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28953200
_cell_length_b 6.28953200
_cell_length_c 6.28953200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.851536032227344,
2.723447246372283,
6.671056095000001
],
[
1.283845344075781,
0.9078157487907611,
2.223685365
],
[
2.567690688151563,
1.8156314975815218,
4.44737073
],
[
0,
0,
0
]
] | [
[
3.8515360322273438,
0,
2.2236853650000006
],
[
1.283845344075781,
3.6312629951630444,
2.223685365
],
[
0,
0,
4.447370729999999
]
] | [
3,
3,
80,
46
] | [
1,
1,
1
] | -0.421929 | 0 | 0 | 225 | 225 | [
"Li",
"Hg",
"Pd"
] |
mp-19421 | mp-19421 | FeWO4 | # generated using pymatgen
data_FeWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82030321
_cell_length_b 5.11534776
_cell_length_c 5.76949405
_cell_angle_alpha 89.99318410
_cell_angle_beta 89.98609221
_cell_angle_gamma 89.13522717
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | # generated using pymatgen
data_FeWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82030321
_cell_length_b 5.76949405
_cell_length_c 5.11534776
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.86477283
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | [
[
2.46797606666035,
3.836007327144747,
1.9280754872801824
],
[
2.4293471464168985,
1.2787424206812361,
3.843018247968539
],
[
0.01933578722802535,
1.2787679945066965,
0.997247648337018
],
[
4.878174225932573,
3.8362221472786158,
4.774065400748556
],
[
... | [
[
4.820303067991172,
0,
0.0011700646137014444
],
[
0.07720354821330484,
5.114765092121259,
0.0006085212385886705
],
[
0,
0,
5.76949405
]
] | [
26,
26,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.0227 | 2.6113 | 0 | 13 | 13 | [
"Fe",
"W",
"O"
] |
mp-1214711 | mp-1214711 | Ba2EuCoCu2O7 | # generated using pymatgen
data_Ba2EuCoCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90179100
_cell_length_b 3.92760500
_cell_length_c 11.98501600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba2EuCoCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90179100
_cell_length_b 3.92760500
_cell_length_c 11.98501600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.9508954999999997,
1.9638025,
2.220128333872
],
[
1.9508954999999997,
1.9638025,
9.764887666128
],
[
1.9508954999999997,
1.9638025,
5.992508
],
[
0,
0,
0
],
[
0,
0,
4.286716627768
],
[
0,
0,
7.6982993722319994
],
[
... | [
[
3.901791,
0,
2.3891579295459753e-16
],
[
-2.40496444578257e-16,
3.927605,
2.40496444578257e-16
],
[
0,
0,
11.985016
]
] | [
56,
56,
63,
27,
29,
29,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.080591 | 0 | 0.036157 | 47 | 47 | [
"Ba",
"Co",
"Cu",
"Eu",
"O"
] |
mp-1078429 | mp-1078429 | EuGa3Pd | # generated using pymatgen
data_EuGa3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14688733
_cell_length_b 6.14688733
_cell_length_c 5.93199700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 116.90558465
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuGa3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43211400
_cell_length_b 10.47687000
_cell_length_c 5.93199700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4829992499999998,
4.1998984162130455,
-0.6940656936733217
],
[
4.44899775,
1.2816094215056595,
4.059353542665508
],
[
1.4829992499999998,
1.8410301853918796,
3.1481478926812945
],
[
4.44899775,
3.640477652326825,
0.21713995631089242
],
[
5.9319... | [
[
5.931997,
0,
3.632300569300851e-16
],
[
-3.3564555139816706e-16,
5.481507837718705,
-2.781599481007815
],
[
0,
0,
6.14688733
]
] | [
63,
63,
31,
31,
31,
31,
31,
31,
46,
46
] | [
1,
1,
1
] | -0.655722 | 0 | 0 | 63 | 63 | [
"Eu",
"Ga",
"Pd"
] |
mp-865548 | mp-865548 | TiInCo2 | # generated using pymatgen
data_TiInCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24812218
_cell_length_b 4.24812218
_cell_length_c 4.24812218
_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_TiInCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00775200
_cell_length_b 6.00775200
_cell_length_c 6.00775200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.452654484173421,
1.7342886176666177,
4.248122179999999
],
[
0,
0,
0
],
[
3.67898172626013,
2.6014329264999274,
6.372183269999999
],
[
1.226327242086711,
0.8671443088333083,
2.124061090000001
]
] | [
[
3.67898172626013,
0,
2.1240610899999997
],
[
1.2263272420867088,
3.4685772353332376,
2.12406109
],
[
0,
0,
4.248122179999999
]
] | [
22,
49,
27,
27
] | [
1,
1,
1
] | -0.23918 | 0 | 0 | 225 | 225 | [
"Ti",
"In",
"Co"
] |
mp-2951 | mp-2951 | CdGeO3 | # generated using pymatgen
data_CdGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16397119
_cell_length_b 7.16397119
_cell_length_c 5.48468821
_cell_angle_alpha 80.62062279
_cell_angle_beta 80.62062279
_cell_angle_gamma 87.16736835
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CdGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.37870600
_cell_length_b 9.87787400
_cell_length_c 5.48468821
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.00190415
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1541738768572882,
5.0338877370395645,
2.5361348096847633
],
[
4.382048609404774,
2.0323583757218833,
5.875714185717614
],
[
1.4626584983990676,
0.6898634754966749,
6.722591668027235
],
[
5.073563987862994,
6.376382637264773,
1.6892573273751414
],
[... | [
[
5.411362779974503,
0,
0.8938442954002805
],
[
1.1248597062875587,
7.066246112761448,
0.3540335100020953
],
[
0,
0,
7.163971190000001
]
] | [
48,
48,
48,
48,
32,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.864465 | 1.5051 | 0.001223 | 15 | 15 | [
"Cd",
"Ge",
"O"
] |
mp-1183005 | mp-1183005 | Ag2Se | # generated using pymatgen
data_Ag2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89078400
_cell_length_b 6.67292200
_cell_length_c 11.13631400
_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_Ag2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89078400
_cell_length_b 6.67292200
_cell_length_c 11.13631400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6720945107519998,
0.18859012156399999,
1.65090286893
],
[
0.2267025107519998,
3.1478708784359997,
9.48541113107
],
[
2.2186894892480002,
3.525051121564,
3.9172541310700004
],
[
4.664081489248,
6.484331878436,
7.2190598689300005
],
[
2.528833665... | [
[
4.890784,
0,
2.994741485460544e-16
],
[
-4.085986284129977e-16,
6.672922,
4.085986284129977e-16
],
[
0,
0,
11.136314
]
] | [
47,
47,
47,
47,
47,
47,
47,
47,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.172258 | 1.7115 | 0.052264 | 19 | 19 | [
"Ag",
"Se"
] |
mp-10930 | mp-10930 | TbSF | # generated using pymatgen
data_TbSF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80721100
_cell_length_b 3.80721100
_cell_length_c 6.87587800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... | # generated using pymatgen
data_TbSF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80721100
_cell_length_b 3.80721100
_cell_length_c 6.87587800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... | [
[
-1.1656221912071484e-16,
1.9036055,
5.30384601286
],
[
1.9036055,
0,
1.5720319871400001
],
[
1.9036055,
0,
4.427467230614
],
[
-1.1656221912071484e-16,
1.9036055,
2.448410769386
],
[
1.9036054999999998,
1.9036055,
2.331244382414297e-16
... | [
[
3.807211,
0,
2.331244382414297e-16
],
[
-2.331244382414297e-16,
3.807211,
2.331244382414297e-16
],
[
0,
0,
6.875878
]
] | [
65,
65,
16,
16,
9,
9
] | [
1,
1,
1
] | -3.321921 | 1.2582 | 0 | 129 | 129 | [
"Tb",
"S",
"F"
] |
mp-22600 | mp-22600 | Sc3P2 | # generated using pymatgen
data_Sc3P2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78360100
_cell_length_b 6.92643600
_cell_length_c 14.43527400
_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_Sc3P2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78360100
_cell_length_b 6.92643600
_cell_length_c 14.43527400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8377007499999993,
4.3927180054559996,
8.196305271378
],
[
0.9459002499999999,
2.5337179945440003,
6.238968728622
],
[
2.8377007499999998,
0.9295000054560001,
13.456605728622
],
[
0.9459002499999997,
5.996935994544,
0.9786682713780004
],
[
0.945... | [
[
3.783601,
0,
2.316787426950362e-16
],
[
-4.241218838449498e-16,
6.926436,
4.241218838449498e-16
],
[
0,
0,
14.435274
]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -1.280636 | 0 | 0 | 62 | 62 | [
"P",
"Sc"
] |
mp-3708 | mp-3708 | Tl(FeTe)3 | # generated using pymatgen
data_Tl(FeTe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.45290983
_cell_length_b 9.45290983
_cell_length_c 4.25184900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999879
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Tl(FeTe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.45290983
_cell_length_b 9.45290983
_cell_length_c 4.25184900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.188886750000001,
2.7288200507597336,
4.7264548573714595
],
[
1.062962250000002,
5.457640101519466,
-1.152570821948451e-7
],
[
3.1888867500000027,
6.860703862918345,
5.297906801610414
],
[
1.062962250000003,
8.01847398995443,
-3.2925904567744615
],
... | [
[
4.251849,
0,
2.603506634153937e-16
],
[
3.134242509402889e-15,
8.1864601522792,
-4.726455087885624
],
[
0,
0,
9.45290983
]
] | [
81,
81,
26,
26,
26,
26,
26,
26,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.311187 | 0 | 0.030789 | 176 | 176 | [
"Fe",
"Te",
"Tl"
] |
mp-1205971 | mp-1205971 | K2SnF6 | # generated using pymatgen
data_K2SnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88753300
_cell_length_b 5.97272648
_cell_length_c 5.97272648
_cell_angle_alpha 120.00000532
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2SnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97272624
_cell_length_b 5.97272624
_cell_length_c 4.88753300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.323194975289,
1.7241775280825444,
2.9863634000925026
],
[
1.564338024711,
3.4483550561650884,
3.2018500395520296e-7
],
[
0,
0,
0
],
[
3.782887004071,
1.6748608782467993,
-0.000002830849863643076
],
[
1.1046459959289998,
3.4976717060008338,
... | [
[
4.887533,
0,
2.9927508220885304e-16
],
[
-3.167262736392125e-16,
5.172532584247633,
-2.9863627597224944
],
[
0,
0,
5.97272648
]
] | [
19,
19,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.024579 | 5.1508 | 0 | 164 | 164 | [
"F",
"K",
"Sn"
] |
mp-1068977 | mp-1068977 | K2PdC2 | # generated using pymatgen
data_K2PdC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18602081
_cell_length_b 5.18602081
_cell_length_c 5.29606000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001034
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2PdC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18602081
_cell_length_b 5.18602081
_cell_length_c 5.29606000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
9.596064682651949e-17,
2.994150666660796,
1.4741318207000005
],
[
2.5930099997408695,
1.4970753333303979,
3.8219281793000004
],
[
0,
0,
0
],
[
0,
0,
2.0136149726
],
[
0,
0,
3.2824450274
]
] | [
[
5.186019999481738,
0,
1.4690799015522071e-15
],
[
-2.5930099997408695,
4.491225999991195,
3.175521892639032e-16
],
[
0,
0,
5.29606
]
] | [
19,
19,
46,
6,
6
] | [
1,
1,
1
] | 0.006045 | 1.9334 | 0.022448 | 164 | 164 | [
"C",
"K",
"Pd"
] |
mp-3824 | mp-3824 | Ta9(NiS3)2 | # generated using pymatgen
data_Ta9(NiS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.19993540
_cell_length_b 10.19993540
_cell_length_c 3.39652500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999611
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ta9(NiS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.19993540
_cell_length_b 10.19993540
_cell_length_c 3.39652500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.6982625000000005,
2.3246779708532577,
3.3552022924198264
],
[
1.6982625000000007,
1.7433516852274689,
6.509114156986589
],
[
1.6982625000000018,
4.765382696936642,
5.4356013507671115
],
[
1.6982625000000025,
6.508725548760591,
-1.7447758915843963
],
... | [
[
3.396525,
0,
2.0797717347369818e-16
],
[
3.3819292220184725e-15,
8.833403519613848,
-5.099968299728971
],
[
0,
0,
10.1999354
]
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
28,
28,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.922009 | 0 | 0 | 189 | 189 | [
"Ni",
"S",
"Ta"
] |
mp-1080121 | mp-1080121 | KSe3 | # generated using pymatgen
data_KSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46610241
_cell_length_b 6.46610241
_cell_length_c 8.35440910
_cell_angle_alpha 70.61404621
_cell_angle_beta 70.61404621
_cell_angle_gamma 50.06009741
_symmetry_Int_Tables_number 1
_chemical_formula_structural KS... | # generated using pymatgen
data_KSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.71769000
_cell_length_b 5.47153200
_cell_length_c 8.35440910
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.48968693
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.38119616308872445,
1.118376370920941,
5.842893059901806
],
[
2.3545698382082985,
4.333182361900927,
0.36522338872263005
],
[
-0.35830600895587233,
3.966494166855131,
2.4369265874748045
],
[
2.3774599923411506,
1.4850645659667376,
3.7711898611496313
... | [
[
5.471532002594046,
0,
3.3503470767045527e-16
],
[
-2.735766001297023,
5.4515587328218675,
-2.1462926513755645
],
[
0,
0,
8.3544091
]
] | [
19,
19,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.792377 | 0.0704 | 0.008559 | 5 | 5 | [
"K",
"Se"
] |
mp-1222516 | mp-1222516 | Li8CuN3 | # generated using pymatgen
data_Li8CuN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65909369
_cell_length_b 5.25937006
_cell_length_c 7.37693530
_cell_angle_alpha 98.35495918
_cell_angle_beta 90.00000187
_cell_angle_gamma 69.64325119
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li8CuN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.86179064
_cell_length_b 3.65909369
_cell_length_c 7.37693530
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.91592049
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8294978901288559,
2.6049890226071097,
2.8155134012679683
],
[
0.0000020201897036172263,
1.1213132748028796,
5.579594851019669
],
[
-0.0000889011512521886,
4.391572849728559,
0.16973044799198012
],
[
1.8294957269340255,
0.6425556127242138,
6.51092128800... | [
[
3.659093689999998,
0,
-1.1942424626444182e-7
],
[
-1.8295460167913753,
4.8713145173397265,
-0.7642142566748622
],
[
0,
0,
7.3769353
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
29,
7,
7,
7
] | [
1,
1,
1
] | -0.447347 | 0.6396 | 0.001456 | 12 | 12 | [
"Cu",
"Li",
"N"
] |
mp-1216650 | mp-1216650 | UFeCo | # generated using pymatgen
data_UFeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89465047
_cell_length_b 4.89465047
_cell_length_c 4.89465047
_cell_angle_alpha 120.65368186
_cell_angle_beta 119.83579169
_cell_angle_gamma 89.57809382
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_UFeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84621000
_cell_length_b 4.90679400
_cell_length_c 6.94752000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
4.205730272296325,
1.5088802040459732,
7.302488676437042
],
[
1.4063030074086484,
2.499089100403182,
2.4264528990687797
],
[
2.806016639852486,
2.0039846522245774,
4.864470787752911
],
[
3.5066857326424525,
4.007969304449154,
8.52937934334821
],
[
... | [
[
4.210695094125042,
0,
2.3991244643152223
],
[
1.4013381855799314,
4.007969304449155,
2.4351666406429175
],
[
0,
0,
4.894650470547682
]
] | [
92,
92,
26,
26,
27,
27
] | [
1,
1,
1
] | -0.170181 | 0 | 0.008628 | 74 | 74 | [
"Co",
"Fe",
"U"
] |
mp-1018102 | mp-1018102 | ZrPd2 | # generated using pymatgen
data_ZrPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01492865
_cell_length_b 5.01492865
_cell_length_c 5.01492865
_cell_angle_alpha 139.42919901
_cell_angle_beta 139.42919901
_cell_angle_gamma 58.72101276
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47731800
_cell_length_b 3.47731800
_cell_length_c 8.74154200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
0,
0,
0
],
[
1.8660088226498697,
2.1410183941961813,
0.033501707321016976
],
[
0.9500301831540249,
1.0900442015519842,
2.5702778887160482
]
] | [
[
3.261645371864042,
0,
-1.2055745268392273
],
[
-0.4456063660601477,
3.231062595748165,
-1.2055745271237064
],
[
0,
0,
5.014928649999999
]
] | [
40,
46,
46
] | [
1,
1,
1
] | -0.754918 | 0 | 0.008632 | 139 | 139 | [
"Zr",
"Pd"
] |
mp-1281617 | mp-1281617 | SrMn2BiO6 | # generated using pymatgen
data_SrMn2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68941247
_cell_length_b 9.59788268
_cell_length_c 5.55730016
_cell_angle_alpha 89.35656843
_cell_angle_beta 121.04427915
_cell_angle_gamma 74.06699192
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrMn2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53555833
_cell_length_b 5.55730016
_cell_length_c 9.56992651
_cell_angle_alpha 74.76056915
_cell_angle_beta 73.49143461
_cell_angle_gamma 61.71263414
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.08602096150369358,
0.12088429135074343,
0.15222783173205998
],
[
3.9599081168946677,
2.452095672112063,
6.5018745259819735
],
[
4.858710383908597,
3.143717113039563,
3.3152396407922793
],
[
6.893836349255848,
4.266317752427927,
6.4610246101712185
],
... | [
[
5.307367477457468,
0,
1.5729769450721849
],
[
2.313869456763697,
4.8369194682595715,
1.4607543472342068
],
[
0,
0,
9.569926513393264
]
] | [
38,
38,
25,
25,
25,
25,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.145749 | 0.0605 | 0.021251 | 1 | 1 | [
"Bi",
"Mn",
"O",
"Sr"
] |
mp-2204 | mp-2204 | Nd3Te4 | # generated using pymatgen
data_Nd3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26643245
_cell_length_b 8.26643245
_cell_length_c 8.26643245
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nd3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.54525400
_cell_length_b 9.54525400
_cell_length_c 9.54525400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.332354646311798,
0.8436892289634964,
3.4443468531740398
],
[
3.4097294249371215,
4.2184461448174835,
3.4443468536321755
],
[
-1.4613126106873384,
5.9058246027444765,
2.0666081127290674
],
[
-1.1102230246251565e-16,
1.6873784579269933,
2.0666081125
],... | [
[
7.793667256999136,
0,
-2.7554774845550267
],
[
-3.8968336284995684,
6.749513831707973,
-2.755477482722487
],
[
0,
0,
8.26643245
]
] | [
60,
60,
60,
60,
60,
60,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.667222 | 0 | 0.025683 | 220 | 220 | [
"Nd",
"Te"
] |
mp-24150 | mp-24150 | LiNd2HO3 | # generated using pymatgen
data_LiNd2HO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84735122
_cell_length_b 6.84735122
_cell_length_c 6.84735122
_cell_angle_alpha 150.34397998
_cell_angle_beta 148.50805223
_cell_angle_gamma 43.80290311
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_LiNd2HO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50472600
_cell_length_b 3.71637000
_cell_length_c 12.70631200
_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
],
[
1.9848298788158882,
2.268408413195975,
0.6500856231541554
],
[
1.1361926445008372,
1.2985238590496637,
4.291820011739911
],
[
1.4270160256912476,
3.5669322722456385,
-1.4569836932296467
],
[
-0.1334952359671156,
1.783466136122819... | [
[
3.388012995250958,
0,
-0.896923783752574
],
[
-0.26699047193423125,
3.5669322722456385,
-1.0085218013533597
],
[
0,
0,
6.847351220000001
]
] | [
3,
60,
60,
1,
8,
8,
8
] | [
1,
1,
1
] | -2.822121 | 1.8754 | 0.020565 | 71 | 71 | [
"Li",
"Nd",
"H",
"O"
] |
mp-567530 | mp-567530 | KMnCl3 | # generated using pymatgen
data_KMnCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90359500
_cell_length_b 8.92401800
_cell_length_c 14.61294600
_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_KMnCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90359500
_cell_length_b 8.92401800
_cell_length_c 14.61294600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.92769625,
5.028336106298,
12.047117263644001
],
[
0.9758987499999995,
8.357690893702001,
4.7406442636440005
],
[
0.9758987499999998,
3.895681893702,
2.5658287363560004
],
[
2.9276962500000003,
0.5663271062980001,
9.872301736356
],
[
0.975898749... | [
[
3.903595,
0,
2.3902625609588063e-16
],
[
-5.464385039616683e-16,
8.924018,
5.464385039616683e-16
],
[
0,
0,
14.612946
]
] | [
19,
19,
19,
19,
25,
25,
25,
25,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.818438 | 0 | 0 | 62 | 62 | [
"Cl",
"K",
"Mn"
] |
mp-1218184 | mp-1218184 | SrLaAlO4 | # generated using pymatgen
data_SrLaAlO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83693629
_cell_length_b 6.83693629
_cell_length_c 6.83693629
_cell_angle_alpha 147.71488817
_cell_angle_beta 147.71488817
_cell_angle_gamma 46.30642701
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrLaAlO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80172200
_cell_length_b 3.80172200
_cell_length_c 12.57253399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.1486615959889925,
2.3368817213004247,
0.586577707472765
],
[
1.198139033462514,
1.3030945459730976,
4.1395080092793854
],
[
0.014641646309976098,
0.01592423660170647,
0.05058612604751458
],
[
2.8085461409035513,
3.054571344486383,
2.8664444696626474
... | [
[
3.6518311863398103,
0,
-1.0569858732206039
],
[
-0.3059339491423467,
3.6389937389640004,
-1.0569858732522974
],
[
0,
0,
6.836936289999999
]
] | [
38,
57,
13,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.549587 | 3.1501 | 0.016669 | 107 | 107 | [
"Al",
"La",
"O",
"Sr"
] |
mp-1105401 | mp-1105401 | NaYMnWO6 | # generated using pymatgen
data_NaYMnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47628826
_cell_length_b 5.67769200
_cell_length_c 7.99926004
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.13834227
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaYMnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47628826
_cell_length_b 5.67769200
_cell_length_c 7.99926004
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.13834227
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3867619099847321,
4.187388693072,
0.004378903083433485
],
[
4.089510386790672,
1.3485426930720001,
7.981658497843125
],
[
1.4567322411206316,
4.748946498024,
4.010119396555392
],
[
4.0195400556547725,
1.9101004980240002,
3.9759180043711666
],
[
... | [
[
5.476272296775404,
0,
-0.013222639073441922
],
[
-3.4765836671722675e-16,
5.677692,
3.4765836671722675e-16
],
[
0,
0,
7.99926004
]
] | [
11,
11,
39,
39,
25,
25,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.679744 | 2.7564 | 0 | 4 | 4 | [
"Mn",
"Na",
"O",
"W",
"Y"
] |
mp-1205395 | mp-1205395 | BaMg(CO3)2 | # generated using pymatgen
data_BaMg(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.58602670
_cell_length_b 11.58602670
_cell_length_c 11.58602740
_cell_angle_alpha 25.39835076
_cell_angle_beta 25.39835076
_cell_angle_gamma 25.39834749
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_BaMg(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09396240
_cell_length_b 5.09396240
_cell_length_c 33.61961954
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.8319643208701688,
1.0935013021223758,
3.4564156161653843
],
[
5.495892962610506,
3.2805039063671275,
10.369246848496154
],
[
3.6639286417403376,
2.1870026042447517,
6.912831232330769
],
[
0,
0,
0
],
[
2.7112705556014323,
1.6183600571150736,... | [
[
4.969352643857761,
0,
1.1198175323307686
],
[
2.358504639622914,
4.374005208489503,
1.1198175323307686
],
[
0,
0,
11.5860274
]
] | [
56,
56,
12,
12,
6,
6,
6,
6,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.562761 | 4.2465 | 0.003504 | 167 | 167 | [
"Ba",
"C",
"Mg",
"O"
] |
mp-1105861 | mp-1105861 | Tm3Ge3Ru2 | # generated using pymatgen
data_Tm3Ge3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75388305
_cell_length_b 5.75388305
_cell_length_c 13.80600400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.75078678
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Tm3Ge3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24088600
_cell_length_b 10.69782999
_cell_length_c 13.80600400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7629175258175565e-16,
0.826514345306863,
8.47246853472
],
[
2.120442998524959,
4.522400651501721,
5.3335354652800016
],
[
1.7629175258175565e-16,
0.826514345306863,
12.23653746528
],
[
2.120442998524959,
4.522400651501721,
1.569466534720003
],
[
... | [
[
4.240885997049919,
0,
1.2013452288388474e-15
],
[
-2.1204429985249598,
5.348914996808584,
3.523237229925355e-16
],
[
0,
0,
13.806004
]
] | [
69,
69,
69,
69,
69,
69,
32,
32,
32,
32,
32,
32,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.785191 | 0 | 0 | 63 | 63 | [
"Ge",
"Ru",
"Tm"
] |
mp-1210780 | mp-1210780 | Li2Pr2Si3 | # generated using pymatgen
data_Li2Pr2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59091019
_cell_length_b 9.59091019
_cell_length_c 6.86060400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 153.18917094
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li2Pr2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44711000
_cell_length_b 18.65919199
_cell_length_c 6.86060400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.506207828785085,
3.83939981652,
5.120442818072827
],
[
0.8197360912366854,
3.0212041834799996,
3.439450141157009
],
[
0.8197360912366851,
0.40909781652,
3.439450141157009
],
[
3.5062078287850853,
6.45150618348,
5.120442818072827
],
[
2.39054256... | [
[
4.32594392002177,
0,
-1.031017230770164
],
[
1.1032692682862131e-15,
6.860604,
4.200908364408764e-16
],
[
0,
0,
9.59091019
]
] | [
3,
3,
3,
3,
59,
59,
59,
59,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.57884 | 0 | 0 | 63 | 63 | [
"Li",
"Pr",
"Si"
] |
mp-4047 | mp-4047 | Cs2SiF6 | # generated using pymatgen
data_Cs2SiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41455169
_cell_length_b 6.41455169
_cell_length_c 6.41455169
_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_Cs2SiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07154600
_cell_length_b 9.07154600
_cell_length_c 9.07154600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8517215724761342,
1.309364880767292,
3.207275845000001
],
[
5.5551647174284025,
3.9280946423018746,
9.621827535
],
[
0,
0,
0
],
[
4.85048466613632,
0.9965680856710328,
4.427817496918131
],
[
1.4093601025841647,
0.9965680856710323,
6.414... | [
[
5.5551647174284025,
0,
3.2072758450000007
],
[
1.851721572476134,
5.237459523069165,
3.2072758450000003
],
[
0,
0,
6.414551689999999
]
] | [
55,
55,
14,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.440186 | 6.8901 | 0 | 225 | 225 | [
"Cs",
"Si",
"F"
] |
mp-21 | mp-21 | Ca | # generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79795614
_cell_length_b 3.79795614
_cell_length_c 3.79795614
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38550200
_cell_length_b 4.38550200
_cell_length_c 4.38550200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca
_... | [
[
0,
0,
0
]
] | [
[
3.5807473890186845,
0,
-1.2659853805612988
],
[
-1.7903736945093425,
3.1010182027375333,
-1.2659853797193508
],
[
0,
0,
3.79795614
]
] | [
20
] | [
1,
1,
1
] | 0.023542 | 0 | 0.023542 | 229 | 229 | [
"Ca"
] |
mp-672374 | mp-672374 | UNi2Sn | # generated using pymatgen
data_UNi2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56458075
_cell_length_b 4.56458075
_cell_length_c 4.56458075
_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_UNi2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45529200
_cell_length_b 6.45529200
_cell_length_c 6.45529200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.635361924750284,
1.863482287871758,
4.564580749999999
],
[
3.9530428871254255,
2.795223431807637,
6.846871125
],
[
1.317680962375142,
0.9317411439358795,
2.2822903750000005
],
[
0,
0,
0
]
] | [
[
3.9530428871254264,
0,
2.2822903749999996
],
[
1.3176809623751413,
3.726964575743516,
2.2822903749999996
],
[
0,
0,
4.56458075
]
] | [
92,
28,
28,
50
] | [
1,
1,
1
] | -0.211665 | 0 | 0.033437 | 225 | 225 | [
"U",
"Ni",
"Sn"
] |
mp-975848 | mp-975848 | PrNdMg2 | # generated using pymatgen
data_PrNdMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51922299
_cell_length_b 5.51922299
_cell_length_c 5.51922299
_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_PrNdMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80536001
_cell_length_b 7.80536001
_cell_length_c 7.80536001
_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
],
[
3.1865248789940734,
2.25321335035635,
5.519222990000001
],
[
1.5932624394970378,
1.126606675178175,
2.759611495000002
],
[
4.779787318491108,
3.3798200255345257,
8.278834485
]
] | [
[
4.779787318491107,
0,
2.7596114950000006
],
[
1.5932624394970358,
4.5064267007127015,
2.7596114950000006
],
[
0,
0,
5.51922299
]
] | [
59,
60,
12,
12
] | [
1,
1,
1
] | -0.105698 | 0 | 0.004888 | 225 | 225 | [
"Pr",
"Nd",
"Mg"
] |
mp-1095505 | mp-1095505 | Ti3GeC2 | # generated using pymatgen
data_Ti3GeC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09590442
_cell_length_b 3.09590442
_cell_length_c 17.90401500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000904
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ti3GeC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09590442
_cell_length_b 3.09590442
_cell_length_c 17.90401500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.547951998488498,
0.8937106658415797,
11.324164159395
],
[
-7.807052780908578e-16,
1.7874213316831595,
6.579850840605001
],
[
-7.807052780908578e-16,
1.7874213316831595,
2.372156659395
],
[
1.547951998488498,
0.8937106658415797,
15.531858340605002
],
... | [
[
3.095903996976997,
0,
8.769982259128515e-16
],
[
-1.5479519984884997,
2.681131997524739,
1.8956947192095715e-16
],
[
0,
0,
17.904015
]
] | [
22,
22,
22,
22,
22,
22,
32,
32,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.840716 | 0 | 0 | 194 | 194 | [
"C",
"Ge",
"Ti"
] |
mp-769173 | mp-769173 | PrOF | # generated using pymatgen
data_PrOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09718663
_cell_length_b 7.09718663
_cell_length_c 7.09718649
_cell_angle_alpha 32.85355428
_cell_angle_beta 32.85355428
_cell_angle_gamma 32.85355917
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr... | # generated using pymatgen
data_PrOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01402369
_cell_length_b 4.01402369
_cell_length_c 20.12444684
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3541315931422726,
0.8271491980204336,
2.5041677540525416
],
[
4.25380486667324,
2.5983673239905807,
6.863267898752443
],
[
0.6855982718947456,
0.41878652239845665,
4.7717361983938735
],
[
4.922338187920768,
3.006729999612558,
4.595699454411112
],
[... | [
[
3.8501786788539327,
0,
1.1351245814024924
],
[
1.7577577809615805,
3.4255165220110144,
1.1351245814024924
],
[
0,
0,
7.09718649
]
] | [
59,
59,
8,
8,
9,
9
] | [
1,
1,
1
] | -4.131284 | 4.4366 | 0 | 166 | 166 | [
"F",
"O",
"Pr"
] |
mp-1213705 | mp-1213705 | Cs2NaGaP2 | # generated using pymatgen
data_Cs2NaGaP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.41879321
_cell_length_b 9.41879321
_cell_length_c 9.41879321
_cell_angle_alpha 139.36585794
_cell_angle_beta 137.36350278
_cell_angle_gamma 60.35997470
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cs2NaGaP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54069400
_cell_length_b 6.84836600
_cell_length_c 16.28416001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.722757162451293,
2.730983595237796,
0.6359193306276729
],
[
1.489196111278369,
3.581838364633117,
4.022136863555944
],
[
0.2146245831263059,
5.752723144303326,
0.5796842127695788
],
[
4.997328690603356,
0.5600988155675863,
4.078371981414037
],
[
... | [
[
6.133768159377177,
0,
-2.271027566125487
],
[
-0.9218148856475149,
6.312821959870913,
-2.489709449690897
],
[
0,
0,
9.41879321
]
] | [
55,
55,
55,
55,
11,
11,
31,
31,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.432839 | 1.3277 | 0 | 72 | 72 | [
"Cs",
"Ga",
"Na",
"P"
] |
mp-865017 | mp-865017 | Dy2ZnRu | # generated using pymatgen
data_Dy2ZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91739168
_cell_length_b 4.91739168
_cell_length_c 4.91739168
_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_Dy2ZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95424201
_cell_length_b 6.95424201
_cell_length_c 6.95424201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.258586115238239,
3.0112751203518355,
7.37608752
],
[
1.4195287050794134,
1.0037583734506128,
2.4586958400000007
],
[
2.8390574101588264,
2.0075167469012243,
4.91739168
],
[
0,
0,
0
]
] | [
[
4.25858611523824,
0,
2.4586958399999994
],
[
1.4195287050794119,
4.015033493802446,
2.45869584
],
[
0,
0,
4.917391679999999
]
] | [
66,
66,
30,
44
] | [
1,
1,
1
] | -0.36943 | 0 | 0 | 225 | 225 | [
"Dy",
"Ru",
"Zn"
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.