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-626083 | mp-626083 | Si2H2O5 | # generated using pymatgen
data_Si2H2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97063730
_cell_length_b 8.97063730
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.20451143
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Si2H2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.00394799
_cell_length_b 5.72320600
_cell_length_c 5.22221603
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.62176207
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.0370166212530445,
4.424392681682627,
0.7467443923861026
],
[
3.0968956017208136,
1.0272641347385527,
5.027163433703296
],
[
0.4237769682160368,
2.6835789003326873,
5.092455929362433
],
[
4.716744548926914,
2.688660084749938,
0.7082748369835961
],
[... | [
[
5.0705543041807655,
0,
-1.249407584554728
],
[
-0.4498566681931318,
5.405515337500277,
-1.82568338256409
],
[
0,
0,
8.9706373
]
] | [
14,
14,
14,
14,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.559605 | 5.2745 | 0.045725 | 9 | 9 | [
"H",
"O",
"Si"
] |
mp-569450 | mp-569450 | LiB6C | # generated using pymatgen
data_LiB6C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32000965
_cell_length_b 5.32000965
_cell_length_c 4.70463500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 115.83138861
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiB6C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65162201
_cell_length_b 9.01494201
_cell_length_c 4.70463500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
2.3523174999999994,
4.248424349470272,
0.45451559832703314
],
[
2.3523175,
2.260242046402278,
3.6258791725552206
],
[
3.8441666677699997,
3.554604008185757,
2.228442314504865
],
[
3.2640193073799995,
4.3204567825697096,
-1.571953749712825
],
[
3.... | [
[
4.704635,
0,
2.880758096953304e-16
],
[
-2.9320710174174593e-16,
4.788435358601159,
-2.3180572668921076
],
[
0,
0,
5.32000965
]
] | [
3,
3,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
6,
6
] | [
1,
1,
1
] | -0.244382 | 1.4217 | 0 | 38 | 38 | [
"Li",
"B",
"C"
] |
mp-2281 | mp-2281 | SmSb | # generated using pymatgen
data_SmSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47291425
_cell_length_b 4.47291425
_cell_length_c 4.47291425
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | # generated using pymatgen
data_SmSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32565600
_cell_length_b 6.32565600
_cell_length_c 6.32565600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | [
[
2.5824382462996134,
1.8260595959539514,
4.472914249999999
],
[
0,
0,
0
]
] | [
[
3.873657369449419,
0,
2.2364571250000003
],
[
1.2912191231498065,
3.6521191919079037,
2.2364571250000003
],
[
0,
0,
4.47291425
]
] | [
62,
51
] | [
1,
1,
1
] | -1.266958 | 0 | 0 | 225 | 225 | [
"Sm",
"Sb"
] |
mp-5816 | mp-5816 | UBC | # generated using pymatgen
data_UBC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24191954
_cell_length_b 6.24191954
_cell_length_c 3.28635000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.20041641
_symmetry_Int_Tables_number 1
_chemical_formula_structural UB... | # generated using pymatgen
data_UBC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62903600
_cell_length_b 11.94472000
_cell_length_c 3.28635000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UB... | [
[
0.8215875000000001,
0.4788217905382113,
1.5760086752130116
],
[
2.4647625000000004,
2.993492984534568,
3.610954756954703
],
[
0.8215875000000002,
1.6173347759333991,
5.323345110776278
],
[
2.4647625000000004,
1.85497999913938,
-0.136381678608563
],
[... | [
[
3.28635,
0,
2.0123090041889523e-16
],
[
5.583908036601371e-16,
3.4723147750727796,
-1.0549561078322847
],
[
0,
0,
6.241919539999999
]
] | [
92,
92,
5,
5,
6,
6
] | [
1,
1,
1
] | -0.446508 | 0 | 0 | 63 | 63 | [
"B",
"C",
"U"
] |
mp-1215731 | mp-1215731 | Zn2SiH2O5 | # generated using pymatgen
data_Zn2SiH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16880300
_cell_length_b 7.38054940
_cell_length_c 7.38029620
_cell_angle_alpha 85.09639891
_cell_angle_beta 110.49507490
_cell_angle_gamma 69.49966715
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Zn2SiH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.04004079
_cell_length_b 8.53888200
_cell_length_c 5.16880300
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.41940585
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.9450554529673212,
4.25737546298783,
2.1430330212311577
],
[
4.713106683250968,
2.4568959756039566,
9.490422019945463
],
[
0.8508921474369625,
0.27852083158002616,
5.069468645035193
],
[
5.811060847244163,
6.44951815390458,
6.553862223221811
],
[
... | [
[
4.841463506898337,
0,
1.8101810860189262
],
[
1.846837560648261,
6.715876533083192,
2.4410454446407996
],
[
0,
0,
7.380549396203279
]
] | [
30,
30,
30,
30,
14,
14,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.078724 | 3.1515 | 0.018752 | 8 | 8 | [
"H",
"O",
"Si",
"Zn"
] |
mp-4595 | mp-4595 | VFe2Si | # generated using pymatgen
data_VFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97839347
_cell_length_b 3.97839347
_cell_length_c 3.97839347
_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_VFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62629800
_cell_length_b 5.62629800
_cell_length_c 5.62629800
_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
],
[
3.4453898112701227,
2.4362584993801435,
5.967590204999999
],
[
1.1484632704233741,
0.8120861664600478,
1.989196734999999
],
[
2.2969265408467483,
1.6241723329200957,
3.978393469999999
]
] | [
[
3.445389811270123,
0,
1.9891967350000002
],
[
1.1484632704233737,
3.2483446658401913,
1.989196735
],
[
0,
0,
3.978393469999999
]
] | [
23,
26,
26,
14
] | [
1,
1,
1
] | -0.462555 | 0 | 0 | 225 | 225 | [
"V",
"Fe",
"Si"
] |
mp-1205549 | mp-1205549 | Ba2GdTaO6 | # generated using pymatgen
data_Ba2GdTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07637352
_cell_length_b 6.07637352
_cell_length_c 6.07637352
_cell_angle_alpha 120.21793988
_cell_angle_beta 120.21793988
_cell_angle_gamma 89.62292974
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba2GdTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05634600
_cell_length_b 6.05634600
_cell_length_c 8.62151999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.504297218590617,
1.2389494997265584,
0.01999451984767253
],
[
0.011493194004375429,
3.716848499179675,
0.01999451989207346
],
[
1.757895206297496,
2.477898999453117,
-3.018192240130127
],
[
0,
0,
0
],
[
0.0025922956681162334,
3.949736314542... | [
[
5.250699230883737,
0,
-3.018192240174528
],
[
-1.734908818288745,
4.955797998906234,
-3.018192240085726
],
[
0,
0,
6.07637352
]
] | [
56,
56,
64,
73,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.544793 | 3.3076 | 0 | 87 | 87 | [
"Ba",
"Gd",
"O",
"Ta"
] |
mp-756188 | mp-756188 | LiCu3O4 | # generated using pymatgen
data_LiCu3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71884006
_cell_length_b 5.71884006
_cell_length_c 6.39877898
_cell_angle_alpha 61.06010107
_cell_angle_beta 61.06010107
_cell_angle_gamma 85.24523883
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiCu3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41618599
_cell_length_b 7.74521400
_cell_length_c 6.39877898
_cell_angle_alpha 90.00000000
_cell_angle_beta 131.11814812
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
4.3495034677994315,
2.4530147757689895,
-0.5462773143535591
],
[
4.3495034677994315,
2.453014775768989,
2.545438075483422
],
[
1.7599436133855124,
2.453014775768989,
3.7580644269919814
],
[
5.179119708827839,
5.446786967608894e-1... | [
[
5.179119708827839,
0,
-2.425252703017118
],
[
-1.6592324820568145,
4.906029551537978,
-2.4254800023468444
],
[
0,
0,
6.183430779673962
]
] | [
3,
3,
29,
29,
29,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.150572 | 0 | 0.046116 | 15 | 15 | [
"Cu",
"Li",
"O"
] |
mp-10224 | mp-10224 | NaVS2 | # generated using pymatgen
data_NaVS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86108549
_cell_length_b 6.86108549
_cell_length_c 6.86108571
_cell_angle_alpha 30.31322510
_cell_angle_beta 30.31322510
_cell_angle_gamma 30.31322459
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NaVS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58777606
_cell_length_b 3.58777606
_cell_length_c 19.62279400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5337055913141246,
1.5344359267381746,
4.368597051892415
],
[
0,
0,
0
],
[
1.3459348145731589,
0.8151107775144394,
1.8923547627688329
],
[
3.72147636805509,
2.2537610759619096,
6.844839341015997
]
] | [
[
3.4629744145492922,
0,
0.9380541968924151
],
[
1.604436768078957,
3.0688718534763493,
0.9380541968924151
],
[
0,
0,
6.86108571
]
] | [
11,
23,
16,
16
] | [
1,
1,
1
] | -1.266685 | 0 | 0.017108 | 166 | 166 | [
"Na",
"V",
"S"
] |
mp-1221649 | mp-1221649 | MnCoNiSn | # generated using pymatgen
data_MnCoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26045836
_cell_length_b 4.26045836
_cell_length_c 4.26045907
_cell_angle_alpha 59.99999451
_cell_angle_beta 60.00000549
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnCoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02519833
_cell_length_b 6.02519833
_cell_length_c 6.02519833
_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
],
[
1.229888288028926,
0.8696625659593633,
2.130229003230739
],
[
3.689664864086778,
2.608987697878091,
6.390687009692218
],
[
2.459776576057852,
1.7393251319187268,
4.260458006461479
]
] | [
[
3.6896651715257875,
0,
2.1302291800000006
],
[
1.2298879805899166,
3.4786502638374546,
2.1302284729229575
],
[
0,
0,
4.26045836
]
] | [
25,
27,
28,
50
] | [
1,
1,
1
] | -0.114118 | 0 | 0.039662 | 216 | 216 | [
"Co",
"Mn",
"Ni",
"Sn"
] |
mp-1218967 | mp-1218967 | SmSiPd | # generated using pymatgen
data_SmSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33530675
_cell_length_b 4.33530675
_cell_length_c 3.79026900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001151
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33530675
_cell_length_b 4.33530675
_cell_length_c 3.79026900
_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
],
[
1.8951345000000004,
1.2514951144146116,
2.16765362640961
],
[
1.8951345000000008,
2.502990228829223,
5.028192205503748e-7
]
] | [
[
3.790269,
0,
2.3208703993787196e-16
],
[
1.4374305065723348e-15,
3.754485343243834,
-2.1676526207711695
],
[
0,
0,
4.335306750000001
]
] | [
62,
14,
46
] | [
1,
1,
1
] | -0.892864 | 0 | 0.042982 | 187 | 187 | [
"Pd",
"Si",
"Sm"
] |
mp-1220287 | mp-1220287 | Nd2Mn3FeSi4 | # generated using pymatgen
data_Nd2Mn3FeSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95722200
_cell_length_b 3.95722200
_cell_length_c 10.44733400
_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_Nd2Mn3FeSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95722200
_cell_length_b 3.95722200
_cell_length_c 10.44733400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.978611,
0,
7.849113376202
],
[
-1.2115498139538719e-16,
1.978611,
2.598220623798
],
[
0,
0,
5.223667
],
[
0,
0,
0
],
[
1.9786109999999997,
1.978611,
5.223667
],
[
1.9786109999999997,
1.978611,
2.4230996279077437e-16
],... | [
[
3.957222,
0,
2.4230996279077437e-16
],
[
-2.4230996279077437e-16,
3.957222,
2.4230996279077437e-16
],
[
0,
0,
10.447334
]
] | [
60,
60,
25,
25,
25,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.555948 | 0 | 0.001944 | 115 | 115 | [
"Fe",
"Mn",
"Nd",
"Si"
] |
mp-862790 | mp-862790 | FeSiTc2 | # generated using pymatgen
data_FeSiTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19428448
_cell_length_b 4.19428448
_cell_length_c 4.19428448
_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_FeSiTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93161400
_cell_length_b 5.93161400
_cell_length_c 5.93161400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4215712735858688,
1.7123094686791136,
4.194284480000001
],
[
0,
0,
0
],
[
3.632356910378804,
2.56846420301867,
6.2914267200000005
],
[
1.2107856367929348,
0.8561547343395566,
2.097142240000001
]
] | [
[
3.632356910378805,
0,
2.0971422399999997
],
[
1.2107856367929344,
3.4246189373582263,
2.0971422399999997
],
[
0,
0,
4.19428448
]
] | [
26,
14,
43,
43
] | [
1,
1,
1
] | -0.285749 | 0 | 0 | 225 | 225 | [
"Fe",
"Si",
"Tc"
] |
mp-4228 | mp-4228 | Nd(CoSi)2 | # generated using pymatgen
data_Nd(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72338156
_cell_length_b 5.72338156
_cell_length_c 5.72338156
_cell_angle_alpha 139.72007239
_cell_angle_beta 139.72007239
_cell_angle_gamma 58.27857630
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Nd(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94128800
_cell_length_b 3.94128800
_cell_length_c 9.99804400
_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
],
[
2.650801243726795,
0.916668521843892,
1.5046476643673936
],
[
0.5518131949711745,
2.750005565531677,
1.504647664336629
],
[
2.026953893938577,
2.3206600299445217,
-0.19641796107789222
],
[
1.1756605447593924,
1.3460140574310469,
... | [
[
3.7002952681046057,
0,
-1.3570431156172245
],
[
-0.49768082940663566,
3.666674087375569,
-1.357043115678753
],
[
0,
0,
5.72338156
]
] | [
60,
27,
27,
14,
14
] | [
1,
1,
1
] | -0.733288 | 0 | 0 | 139 | 139 | [
"Nd",
"Co",
"Si"
] |
mp-1206419 | mp-1206419 | Er(AlSi)2 | # generated using pymatgen
data_Er(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21186964
_cell_length_b 4.21186964
_cell_length_c 6.46276200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999432
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Er(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21186964
_cell_length_b 4.21186964
_cell_length_c 6.46276200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
1.1023822594916132e-15,
2.4317240008552035,
4.178479382814
],
[
2.1059350008011783,
1.2158620004276015,
2.2842826171860002
],
[
1.1023822594916132e-15,
2.4317240008552035,
1.6612335838140007
],
[
2.1059350008011783,
1.21586200042... | [
[
4.211870001602355,
0,
1.19312566629574e-15
],
[
-2.1059350008011757,
3.6475860012828045,
2.579026336525957e-16
],
[
0,
0,
6.462762
]
] | [
68,
13,
13,
14,
14
] | [
1,
1,
1
] | -0.329445 | 0 | 0.032051 | 164 | 164 | [
"Al",
"Er",
"Si"
] |
mp-974335 | mp-974335 | RuRh3 | # generated using pymatgen
data_RuRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84232800
_cell_length_b 3.84232800
_cell_length_c 3.84232800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... | # generated using pymatgen
data_RuRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84232800
_cell_length_b 3.84232800
_cell_length_c 3.84232800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... | [
[
0,
0,
0
],
[
-1.1763736716185628e-16,
1.921164,
1.9211640000000003
],
[
1.921164,
0,
1.9211640000000003
],
[
1.9211639999999999,
1.921164,
2.3527473432371256e-16
]
] | [
[
3.842328,
0,
2.3527473432371256e-16
],
[
-2.3527473432371256e-16,
3.842328,
2.3527473432371256e-16
],
[
0,
0,
3.842328
]
] | [
44,
45,
45,
45
] | [
1,
1,
1
] | 0.05474 | 0 | 0.05474 | 221 | 221 | [
"Ru",
"Rh"
] |
mp-4854 | mp-4854 | NdScGe | # generated using pymatgen
data_NdScGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57562587
_cell_length_b 8.57562587
_cell_length_c 8.57562587
_cell_angle_alpha 150.78276007
_cell_angle_beta 150.78276007
_cell_angle_gamma 41.79359653
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdScGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32580200
_cell_length_b 4.32580200
_cell_length_c 16.02311800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6396767747089624,
2.8255275202272756,
1.5520027553963895
],
[
1.2619095838951075,
1.3507563848332518,
4.841559295049376
],
[
2.092977084543866,
1.736797427513878e-17,
-0.54551595507232
],
[
-0.14218390524183114,
2.088141952530264,
-0.5455159547047969
... | [
[
4.185954169087732,
0,
-1.09103191014464
],
[
-0.2843678104836623,
4.176283905060528,
-1.0910319094095937
],
[
0,
0,
8.57562587
]
] | [
60,
60,
21,
21,
32,
32
] | [
1,
1,
1
] | -0.713555 | 0 | 0 | 139 | 139 | [
"Nd",
"Sc",
"Ge"
] |
mp-10850 | mp-10850 | SbTePd | # generated using pymatgen
data_SbTePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64136400
_cell_length_b 6.64136400
_cell_length_c 6.64136400
_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_SbTePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64136400
_cell_length_b 6.64136400
_cell_length_c 6.64136400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.16572915536,
4.16572915536,
4.165729155360001
],
[
5.79631684464,
2.47563484464,
0.8450471553600005
],
[
0.8450471553599996,
5.79631684464,
2.4756348446400005
],
[
2.47563484464,
0.84504715536,
5.796316844640001
],
[
2.484215486928,
2.48421... | [
[
6.641364,
0,
4.0666625822862313e-16
],
[
-4.0666625822862313e-16,
6.641364,
4.0666625822862313e-16
],
[
0,
0,
6.641364
]
] | [
51,
51,
51,
51,
52,
52,
52,
52,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.577649 | 0 | 0 | 198 | 198 | [
"Sb",
"Te",
"Pd"
] |
mp-1113834 | mp-1113834 | Rb2TlCuF6 | # generated using pymatgen
data_Rb2TlCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24395370
_cell_length_b 6.24395370
_cell_length_c 6.24395370
_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_Rb2TlCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83028401
_cell_length_b 8.83028401
_cell_length_c 8.83028401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.8024741747512794,
1.274541711880255,
3.1219768500000002
],
[
5.407422524253839,
3.823625135640767,
9.365930550000002
],
[
0,
0,
0
],
[
3.60494834950256,
2.5490834237605107,
6.2439537000000005
],
[
2.7599232217407117,
3.7441294199873716,
... | [
[
5.40742252425384,
0,
3.121976850000001
],
[
1.802474174751278,
5.098166847521022,
3.1219768500000016
],
[
0,
0,
6.243953699999999
]
] | [
37,
37,
81,
29,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.391601 | 0 | 0.01912 | 225 | 225 | [
"Cu",
"F",
"Rb",
"Tl"
] |
mp-1023929 | mp-1023929 | WSeS | # generated using pymatgen
data_WSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25471846
_cell_length_b 3.25471846
_cell_length_c 23.02290200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000933
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_WSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25471846
_cell_length_b 3.25471846
_cell_length_c 23.02290200
_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,
19.559474760531998
],
[
1.6273590005050749,
0.9395563336750362,
12.629328006609997
],
[
0,
0,
10.922456098133999
],
[
0,
0,
14.336614327322
],
[
1.6273590005050749,
0.9395563336750362,
21.10889304223
],
[
1.6273590005050749,... | [
[
3.254718001010151,
0,
9.219865717799043e-16
],
[
-1.6273590005050775,
2.8186690010251088,
1.9929402720824013e-16
],
[
0,
0,
23.022902
]
] | [
74,
74,
34,
34,
16,
16
] | [
1,
1,
1
] | -0.998401 | 0.8086 | 0.014691 | 156 | 156 | [
"S",
"Se",
"W"
] |
mp-1105724 | mp-1105724 | Ba2ErGaTe5 | # generated using pymatgen
data_Ba2ErGaTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.48062880
_cell_length_b 10.48062880
_cell_length_c 14.36520100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 155.07345262
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ba2ErGaTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52372800
_cell_length_b 20.46729599
_cell_length_c 14.36520100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.261863998900733,
7.6165562589484415,
2.5929331457010036
],
[
-8.82869978151685e-16,
2.61709173645702,
9.775533645701001
],
[
2.2618639989007336,
7.756511628933605,
11.747214943755003
],
[
-3.603911854434715e-16,
2.477136366471855,
4.5646144437550005
... | [
[
4.523727997801471,
0,
1.2814678466961723e-15
],
[
-2.261863998900738,
10.23364799540546,
6.417534256485783e-16
],
[
0,
0,
14.365201
]
] | [
56,
56,
56,
56,
68,
68,
31,
31,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.513907 | 0.5419 | 0.017755 | 36 | 36 | [
"Ba",
"Er",
"Ga",
"Te"
] |
mp-1216978 | mp-1216978 | TmIn7Cu5 | # generated using pymatgen
data_TmIn7Cu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24439830
_cell_length_b 7.24439830
_cell_length_c 7.24439830
_cell_angle_alpha 134.34340918
_cell_angle_beta 98.75477692
_cell_angle_gamma 98.55952891
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TmIn7Cu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62123000
_cell_length_b 9.43327600
_cell_length_c 9.45200000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.17648423781167,
0.011477665908957685,
2.191430782446933
],
[
3.47903832775871,
4.39535179515783,
6.223919311819869
],
[
4.318411445778407,
2.2275618967694304,
4.229886718361372
],
[
1.7464449384249874,
4.33776983425099,
3.095506638913707
],
[
0... | [
[
5.180928415833144,
0,
2.1808730988188723
],
[
2.595600887343435,
6.676943518882054,
1.0782337447528663
],
[
0,
0,
7.244398299999999
]
] | [
69,
49,
49,
49,
49,
49,
49,
49,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.052911 | 0 | 0.079439 | 44 | 44 | [
"Cu",
"In",
"Tm"
] |
mp-1519311 | mp-1519311 | Sr2VWO6 | # generated using pymatgen
data_Sr2VWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71670517
_cell_length_b 5.71670517
_cell_length_c 5.71670517
_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_Sr2VWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08464198
_cell_length_b 8.08464198
_cell_length_c 8.08464198
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.950811903165839,
3.5007526691076403,
8.575057755000001
],
[
1.6502706343886122,
1.1669175563692118,
2.858352584999999
],
[
0,
0,
0
],
[
3.3005412687772253,
2.333835112738426,
5.716705169999999
],
[
2.503569173180681,
3.4609238591639664,
... | [
[
4.950811903165839,
0,
2.858352585000001
],
[
1.6502706343886129,
4.667670225476855,
2.8583525850000004
],
[
0,
0,
5.71670517
]
] | [
38,
38,
23,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.789086 | 0.8022 | 0.005356 | 225 | 225 | [
"O",
"Sr",
"V",
"W"
] |
mp-8683 | mp-8683 | K5As2Au | # generated using pymatgen
data_K5As2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80347048
_cell_length_b 5.80347048
_cell_length_c 19.51748800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000543
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K5As2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80347048
_cell_length_b 5.80347048
_cell_length_c 19.51748800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.901735001841756,
1.6753176677645958,
8.797507716
],
[
-4.064396960317292e-17,
3.3506353355291925,
18.556251716000002
],
[
-4.064396960317292e-17,
3.3506353355291925,
10.719980284000002
],
[
2.901735001841756,
1.6753176677645958,
0.9612362840000037
],... | [
[
5.803470003683511,
0,
1.6439892523601098e-15
],
[
-2.901735001841756,
5.025953003293789,
3.5536007736390765e-16
],
[
0,
0,
19.517488
]
] | [
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
33,
33,
33,
33,
79,
79
] | [
1,
1,
1
] | -0.440415 | 0.3394 | 0 | 194 | 194 | [
"As",
"Au",
"K"
] |
mp-864646 | mp-864646 | ErAgHg2 | # generated using pymatgen
data_ErAgHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00356395
_cell_length_b 5.00356395
_cell_length_c 5.00356395
_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_ErAgHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07610800
_cell_length_b 7.07610800
_cell_length_c 7.07610800
_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
],
[
2.888808993440008,
2.0426964288141143,
5.00356395
],
[
4.333213490160012,
3.0640446432211705,
7.505345925
],
[
1.4444044967200038,
1.0213482144070567,
2.501781975
]
] | [
[
4.333213490160011,
0,
2.5017819749999997
],
[
1.4444044967200047,
4.085392857628227,
2.5017819749999997
],
[
0,
0,
5.00356395
]
] | [
68,
47,
80,
80
] | [
1,
1,
1
] | -0.320377 | 0 | 0 | 225 | 225 | [
"Ag",
"Er",
"Hg"
] |
mp-1215273 | mp-1215273 | ZrMoWO8 | # generated using pymatgen
data_ZrMoWO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96163174
_cell_length_b 5.96161458
_cell_length_c 6.47292900
_cell_angle_alpha 90.00003756
_cell_angle_beta 90.00029476
_cell_angle_gamma 119.99995743
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrMoWO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96162316
_cell_length_b 5.96162316
_cell_length_c 6.47292900
_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,
6.458390801466
],
[
2.9808192179186412,
1.720971998984536,
4.650182227789625
],
[
0.00001143994089969489,
3.441943997969073,
1.8242501865751166
],
[
2.9808192179186412,
1.720971998984536,
2.921075176948626
],
[
0.00001143994089969489,
3... | [
[
5.961626995896382,
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[
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[
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0,
6.472929
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42,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.503769 | 3.2733 | 0.043833 | 156 | 156 | [
"Mo",
"O",
"W",
"Zr"
] |
mp-764009 | mp-764009 | Mn6O7F5 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72883300
_cell_length_b 5.59231186
_cell_length_c 7.72880680
_cell_angle_alpha 84.65771870
_cell_angle_beta 87.09152359
_cell_angle_gamma 86.41116047
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72883300
_cell_length_b 5.59231186
_cell_length_c 7.72880680
_cell_angle_alpha 84.65771870
_cell_angle_beta 87.09152359
_cell_angle_gamma 86.41116047
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.361887301801025,
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2.6645558364119206,
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[
2.603008224340896,
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[
4.77476488533015,
1.939016985508124,
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],
[
4... | [
[
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0,
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[
0.32405506041029125,
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25,
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8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.223431 | 0 | 0.066772 | 1 | 1 | [
"F",
"Mn",
"O"
] |
mp-1227831 | mp-1227831 | BaSr3(CoO3)4 | # generated using pymatgen
data_BaSr3(CoO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76676407
_cell_length_b 5.53623694
_cell_length_c 9.58456308
_cell_angle_alpha 90.01799443
_cell_angle_beta 90.01694311
_cell_angle_gamma 89.98825671
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_BaSr3(CoO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76676407
_cell_length_b 5.53623694
_cell_length_c 9.58456308
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.192024545751909,
2.7684006234582506,
1.5937357784402504
],
[
1.191057602800187,
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3.576997432300863,
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[
3.576573292504656,
2.763318358304627,
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],
[... | [
[
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[
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],
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0,
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27,
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27,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.03221 | 0.0447 | 0 | 25 | 25 | [
"Ba",
"Co",
"O",
"Sr"
] |
mp-675637 | mp-675637 | Ge5(Te4As)2 | # generated using pymatgen
data_Ge5(Te4As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23711057
_cell_length_b 7.23711057
_cell_length_c 11.84811293
_cell_angle_alpha 65.87285181
_cell_angle_beta 65.87285181
_cell_angle_gamma 48.52369303
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ge5(Te4As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.19581601
_cell_length_b 5.94756400
_cell_length_c 11.84811293
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.63875036
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
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[
0,
0,
0
],
[
2.424571889224325,
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11.85939423591128
],
[
3.5369789223451304,
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... | [
[
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[
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0,
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52,
52,
52,
52,
52,
52,
52,
33,
33
] | [
1,
1,
1
] | -0.229452 | 0 | 0.05764 | 12 | 12 | [
"As",
"Ge",
"Te"
] |
mp-1101356 | mp-1101356 | SrLaCl5 | # generated using pymatgen
data_SrLaCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.10841294
_cell_length_b 10.10841294
_cell_length_c 7.04512078
_cell_angle_alpha 88.74843014
_cell_angle_beta 88.74843014
_cell_angle_gamma 148.25552471
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrLaCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52916400
_cell_length_b 19.44603801
_cell_length_c 7.04512078
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.58075236
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1196190155920642,
5.266962750166498,
4.196684911512896
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[
3.739940055740814,
1.7556542500554995,
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0.8247901149949377,
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],
[
5.03476895633794,
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[
... | [
[
5.318358774180686,
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[
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],
[
0,
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] | [
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57,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.828809 | 3.7466 | 0.050153 | 15 | 15 | [
"Cl",
"La",
"Sr"
] |
mp-1076037 | mp-1076037 | Eu2Ti2O5 | # generated using pymatgen
data_Eu2Ti2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74100926
_cell_length_b 8.74100926
_cell_length_c 8.74100926
_cell_angle_alpha 142.99235441
_cell_angle_beta 142.83870391
_cell_angle_gamma 53.45219041
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Eu2Ti2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54823200
_cell_length_b 5.57045600
_cell_length_c 15.61435600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.1877611753428488,
0.6583514455541486,
0.7718726462038787
],
[
1.486969600507424,
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],
[
0.26733775156001777,
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0.7865912619116411
],
[
4.407393024290255,
2.0293354610922694,
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],
... | [
[
5.261402177037944,
0,
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[
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5.246580749064791,
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],
[
0,
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22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.267306 | 0 | 0.067167 | 46 | 46 | [
"Eu",
"O",
"Ti"
] |
mp-1104457 | mp-1104457 | Eu3Au2 | # generated using pymatgen
data_Eu3Au2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13435670
_cell_length_b 8.13435670
_cell_length_c 8.13435681
_cell_angle_alpha 70.58214229
_cell_angle_beta 70.58214229
_cell_angle_gamma 70.58213519
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu3Au2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.39893044
_cell_length_b 9.39893044
_cell_length_c 18.17938797
_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
],
[
7.648187468207206,
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10.805491618654404
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[
1.9376049861833209,
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[
3.7528310462203307,
4.454896672887176,
9.378304426904531
],
[
7.099350620663993,
2.522618857417395,
... | [
[
7.671667052339862,
0,
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[
1.9141254020506653,
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],
[
0,
0,
8.13435681
]
] | [
63,
63,
63,
63,
63,
63,
63,
63,
63,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.68937 | 0 | 0 | 148 | 148 | [
"Au",
"Eu"
] |
mp-4603 | mp-4603 | Nd3Co13B2 | # generated using pymatgen
data_Nd3Co13B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07253733
_cell_length_b 5.07253733
_cell_length_c 10.77609800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999131
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Nd3Co13B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07253733
_cell_length_b 5.07253733
_cell_length_c 10.77609800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
3.478255031949999
],
[
0,
0,
7.297842968049999
],
[
0,
0,
0
],
[
-1.2681344990685577,
2.1964729985440345,
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],
[
1.268134499068559,
2.1964729985440345,
5.3880490000000005
],
[
2.5362689981371167,
2.40357... | [
[
5.072537996274233,
0,
1.4369330663844506e-15
],
[
-2.5362689981371154,
4.392945997088069,
3.1060333023699807e-16
],
[
0,
0,
10.776098
]
] | [
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60,
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27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5
] | [
1,
1,
1
] | -0.150735 | 0 | 0.026715 | 191 | 191 | [
"B",
"Co",
"Nd"
] |
mp-1209283 | mp-1209283 | PrZrF7 | # generated using pymatgen
data_PrZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88540300
_cell_length_b 6.35311100
_cell_length_c 8.55117776
_cell_angle_alpha 78.53472364
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35311100
_cell_length_b 5.88540300
_cell_length_c 8.55117776
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.46527636
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.710653019588,
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2.2400378756159824
],
[
1.7679515195879998,
4.093094252317398,
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],
[
4.659226368174,
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],
[
1.7165248681739997,
5.052747105020195,
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],
[
3.6... | [
[
5.885403,
0,
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],
[
-3.812531773445148e-16,
6.226336893379513,
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],
[
0,
0,
8.55117776
]
] | [
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40,
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9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -4.211736 | 5.9474 | 0 | 4 | 4 | [
"F",
"Pr",
"Zr"
] |
mp-1225462 | mp-1225462 | ErMnFe | # generated using pymatgen
data_ErMnFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10661247
_cell_length_b 5.10661247
_cell_length_c 5.10661247
_cell_angle_alpha 120.30829277
_cell_angle_beta 119.71285638
_cell_angle_gamma 89.98245902
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErMnFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08279800
_cell_length_b 5.12876000
_cell_length_c 7.22294600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.414146121886836,
1.5647117185833193,
7.626586944864145
],
[
1.472249666441469,
2.6170639221167806,
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],
[
2.9431978941641526,
2.09088782035005,
5.083635220317138
],
[
2.2043267685416192,
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1.264773648051112
],
[... | [
[
4.4086535370832385,
0,
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],
[
1.4777422512450664,
4.1817756407001,
2.531110674880088
],
[
0,
0,
5.106612469651964
]
] | [
68,
68,
25,
25,
26,
26
] | [
1,
1,
1
] | -0.007694 | 0 | 0.056372 | 74 | 74 | [
"Er",
"Fe",
"Mn"
] |
mp-570070 | mp-570070 | Yb4Ge6Rh7 | # generated using pymatgen
data_Yb4Ge6Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23007717
_cell_length_b 7.23007717
_cell_length_c 7.23007717
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Yb4Ge6Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34857400
_cell_length_b 8.34857400
_cell_length_c 8.34857400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7041455321335732,
2.951666644492513,
1.2050128613995335
],
[
-1.7041455321335746,
2.951666644492513,
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],
[
3.4082910642671465,
5.903333288985026,
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],
[
3.408291064267148,
6.950720688519938e-17,
6.025064307799068
... | [
[
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0,
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],
[
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5.903333288985026,
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],
[
0,
0,
7.23007717
]
] | [
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32,
32,
32,
32,
32,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.851186 | 0 | 0 | 229 | 229 | [
"Ge",
"Rh",
"Yb"
] |
mp-561974 | mp-561974 | Zr7(NO2)4 | # generated using pymatgen
data_Zr7(NO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27443600
_cell_length_b 6.29643109
_cell_length_c 6.36884036
_cell_angle_alpha 99.71581874
_cell_angle_beta 99.26143251
_cell_angle_gamma 99.23740174
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Zr7(NO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27443600
_cell_length_b 6.29643109
_cell_length_c 6.36884036
_cell_angle_alpha 99.71581874
_cell_angle_beta 99.26143251
_cell_angle_gamma 99.23740174
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.6406251017390499,
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],
[
6.153562286115549,
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],
[
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],
[
1.7766562135512383,
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],
... | [
[
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[
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],
[
0,
0,
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]
] | [
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7,
7,
7,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.01896 | 2.7613 | 0.029631 | 1 | 1 | [
"N",
"O",
"Zr"
] |
mp-1078304 | mp-1078304 | Ca2AlPd2 | # generated using pymatgen
data_Ca2AlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78790584
_cell_length_b 5.78790584
_cell_length_c 7.80425805
_cell_angle_alpha 78.99328844
_cell_angle_beta 78.99328844
_cell_angle_gamma 59.92957872
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca2AlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.02850200
_cell_length_b 5.78174400
_cell_length_c 7.80425805
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.73146317
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
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],
[
2.139337788087741,
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],
[
3.642406212408836,
1.4675352416593779,
4.7348291985335145
],
[
0.7515342121605463,
3.423433735708987,
5.866507853478031
],
... | [
[
5.7817440004965786,
0,
3.540297141848774e-16
],
[
-2.8908720002482906,
4.890968977368366,
-1.1050500229884548
],
[
0,
0,
7.80425805
]
] | [
20,
20,
20,
20,
13,
13,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.779979 | 0 | 0 | 15 | 15 | [
"Al",
"Ca",
"Pd"
] |
mp-1224994 | mp-1224994 | GaCuTeSe | # generated using pymatgen
data_GaCuTeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16636762
_cell_length_b 7.16636762
_cell_length_c 7.16636762
_cell_angle_alpha 131.51594630
_cell_angle_beta 131.39337116
_cell_angle_gamma 71.09175582
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_GaCuTeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88490600
_cell_length_b 5.89888200
_cell_length_c 11.66183399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.32311504078319986,
4.559886543443351,
-0.7175554222840254
],
[
1.3662531804822686,
3.3358021360795562,
3.0340970088788217
],
[
2.9043493536067797,
1.9253584207092083,
-0.7165545022428933
],
[
4.597990313775789,
0.7065378057984276,
3.0445865833738175
... | [
[
5.365970215612158,
0,
-2.416295145800507
],
[
-1.0932313120713404,
5.263792453015272,
-2.4277856403366345
],
[
0,
0,
7.166367620000001
]
] | [
31,
31,
29,
29,
52,
52,
34,
34
] | [
1,
1,
1
] | -0.583755 | 0.3874 | 0.020911 | 24 | 24 | [
"Cu",
"Ga",
"Se",
"Te"
] |
mp-752499 | mp-752499 | Li2VF4 | # generated using pymatgen
data_Li2VF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13141500
_cell_length_b 5.03246100
_cell_length_c 10.02302400
_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_Li2VF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13141500
_cell_length_b 5.03246100
_cell_length_c 10.02302400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5657074999999998,
4.9125525517529995,
2.921942025552
],
[
1.5657074999999998,
2.636138948247,
7.933454025552
],
[
1.5657074999999998,
2.3963220517529997,
2.089569974448
],
[
1.5657075,
0.11990844824699999,
7.101081974448
],
[
-1.540746813870972... | [
[
3.131415,
0,
1.9174386782760045e-16
],
[
-3.081493627741944e-16,
5.032461,
3.081493627741944e-16
],
[
0,
0,
10.023024
]
] | [
3,
3,
3,
3,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.061593 | 2.7389 | 0.033212 | 55 | 55 | [
"F",
"Li",
"V"
] |
mp-23188 | mp-23188 | In2Bi | # generated using pymatgen
data_In2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58076899
_cell_length_b 5.58076899
_cell_length_c 6.68223800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001170
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_In2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58076899
_cell_length_b 5.58076899
_cell_length_c 6.68223800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.341119
],
[
0,
0,
0
],
[
2.7903840015332175,
1.6110293342985236,
1.670559500000001
],
[
-6.643544976246634e-16,
3.2220586685970476,
5.0116785
],
[
2.7903840015332175,
1.6110293342985236,
5.011678500000001
],
[
-6.643544976... | [
[
5.580768003066434,
0,
1.5809029100061062e-15
],
[
-2.7903840015332166,
4.83308800289557,
3.4172354401921536e-16
],
[
0,
0,
6.682238
]
] | [
49,
49,
49,
49,
83,
83
] | [
1,
1,
1
] | 0.028202 | 0 | 0.028978 | 194 | 194 | [
"In",
"Bi"
] |
mp-1207570 | mp-1207570 | YbAl2Cu3 | # generated using pymatgen
data_YbAl2Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28235061
_cell_length_b 5.28235061
_cell_length_c 3.99895900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000768
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_YbAl2Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28235061
_cell_length_b 5.28235061
_cell_length_c 3.99895900
_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
],
[
1.1676239835880761e-15,
3.0497663106197663,
4.0879461502116673e-7
],
[
5.838119917940382e-16,
1.5248831553098834,
2.6411755093973075
],
[
1.999479500000001,
2.2873247329648247,
1.320587959095962
],
[
1.9994795,
7.915929300964116e... | [
[
3.998959,
0,
2.4486561696357505e-16
],
[
1.7514359753821142e-15,
4.5746494659296495,
-2.641174691808078
],
[
0,
0,
5.28235061
]
] | [
70,
13,
13,
29,
29,
29
] | [
1,
1,
1
] | -0.302519 | 0 | 0.00987 | 191 | 191 | [
"Al",
"Cu",
"Yb"
] |
mp-2998 | mp-2998 | BaTiO3 | # generated using pymatgen
data_BaTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03558300
_cell_length_b 4.03558300
_cell_length_c 4.03558300
_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_BaTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03558300
_cell_length_b 4.03558300
_cell_length_c 4.03558300
_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
],
[
2.0177915,
2.0177915,
2.0177915000000004
],
[
-1.2355409509108682e-16,
2.0177915,
2.0177915
],
[
2.0177915,
0,
2.0177915
],
[
2.0177915,
2.0177915,
2.4710819018217364e-16
]
] | [
[
4.035583,
0,
2.4710819018217364e-16
],
[
-2.4710819018217364e-16,
4.035583,
2.4710819018217364e-16
],
[
0,
0,
4.035583
]
] | [
56,
22,
8,
8,
8
] | [
1,
1,
1
] | -3.477499 | 1.7252 | 0.014739 | 221 | 221 | [
"Ba",
"Ti",
"O"
] |
mp-11477 | mp-11477 | HoSn3 | # generated using pymatgen
data_HoSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71092700
_cell_length_b 4.71092700
_cell_length_c 4.71092700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_HoSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71092700
_cell_length_b 4.71092700
_cell_length_c 4.71092700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | [
[
0,
0,
0
],
[
2.3554635,
0,
2.3554635
],
[
-1.4423054178917108e-16,
2.3554635,
2.3554635
],
[
2.3554635,
2.3554635,
2.8846108357834215e-16
]
] | [
[
4.710927,
0,
2.8846108357834215e-16
],
[
-2.8846108357834215e-16,
4.710927,
2.8846108357834215e-16
],
[
0,
0,
4.710927
]
] | [
67,
50,
50,
50
] | [
1,
1,
1
] | -0.407619 | 0 | 0.027416 | 221 | 221 | [
"Ho",
"Sn"
] |
mp-1079348 | mp-1079348 | B3Os2 | # generated using pymatgen
data_B3Os2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94198770
_cell_length_b 2.94198770
_cell_length_c 12.92562300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999327
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_B3Os2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94198770
_cell_length_b 2.94198770
_cell_length_c 12.92562300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4709939996352497,
0.8492786664764643,
6.066266311983
],
[
1.2845258189102721e-16,
1.6985573329529289,
6.859356688017001
],
[
1.2845258189102721e-16,
1.6985573329529289,
12.529077811983
],
[
1.4709939996352497,
0.8492786664764643,
0.3965451880170022
]... | [
[
2.9419879992704994,
0,
8.333973723140285e-16
],
[
-1.4709939996352497,
2.5478359994293935,
1.8014479099679414e-16
],
[
0,
0,
12.925623
]
] | [
5,
5,
5,
5,
5,
5,
76,
76,
76,
76
] | [
1,
1,
1
] | -0.253578 | 0 | 0 | 194 | 194 | [
"B",
"Os"
] |
mp-1101793 | mp-1101793 | YSeO3F | # generated using pymatgen
data_YSeO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10902500
_cell_length_b 4.43927500
_cell_length_c 6.63369620
_cell_angle_alpha 83.88231939
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YSeO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43927500
_cell_length_b 7.10902500
_cell_length_c 6.63369620
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.11768061
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.78434919208233,
2.4030908044735457,
5.33176875
],
[
1.9479668076495897,
4.1928271942461475,
1.7772562500000004
],
[
1.315284049346312,
0.9764992760384559,
1.7772562500000002
],
[
2.4170319503856077,
5.619418722681238,
5.33176875
],
[
1.81158525... | [
[
4.439275,
0,
2.7182719596424335e-16
],
[
-0.7069590002680809,
6.595917998719693,
4.0619674089229804e-16
],
[
0,
0,
7.109025
]
] | [
39,
39,
34,
34,
8,
8,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | -2.821517 | 4.0023 | 0 | 11 | 11 | [
"F",
"O",
"Se",
"Y"
] |
mp-28431 | mp-28431 | Sb(IF3)2 | # generated using pymatgen
data_Sb(IF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20499900
_cell_length_b 8.26401577
_cell_length_c 8.34727244
_cell_angle_alpha 77.93623026
_cell_angle_beta 81.16379306
_cell_angle_gamma 82.54993766
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sb(IF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20499900
_cell_length_b 8.26401577
_cell_length_c 8.34727244
_cell_angle_alpha 77.93623026
_cell_angle_beta 81.16379306
_cell_angle_gamma 82.54993766
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.021618224917992,
5.6233286398741305,
7.470550410536298
],
[
2.925636471600461,
2.416889604155224,
3.557054984617001
],
[
1.3983856536776977,
7.360795681754142,
3.6232052336480405
],
[
5.548869042840756,
0.6794225622752125,
7.404400161505258
],
[
... | [
[
6.131355017443112,
0,
0.9531517403205925
],
[
0.8158996790753404,
8.040218244029354,
1.727181214832707
],
[
0,
0,
8.34727244
]
] | [
51,
51,
53,
53,
53,
53,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.056491 | 0.5843 | 0 | 2 | 2 | [
"F",
"I",
"Sb"
] |
mp-1208860 | mp-1208860 | SmAl3(BO3)4 | # generated using pymatgen
data_SmAl3(BO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95222237
_cell_length_b 5.95222237
_cell_length_c 5.95222244
_cell_angle_alpha 104.15025795
_cell_angle_beta 104.15025795
_cell_angle_gamma 104.15024723
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_SmAl3(BO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.39043237
_cell_length_b 9.39043237
_cell_length_c 7.37020323
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.9520588221255737,
2.730569098726808,
1.5209972653661552
],
[
-1.4421481603415451,
5.157056561481202,
1.5209972653661552
],
[
2.78182548957112,
0.3040816359724141,
4.812217564893471
],
[
4.516499137147146,
2.730569098726808,
-1.7702230341611602
],
[... | [
[
5.771619748472543,
0,
-1.4551139546338447
],
[
-1.8675021042213955,
5.461138197453616,
-1.455113954633845
],
[
0,
0,
5.95222244
]
] | [
62,
13,
13,
13,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.242091 | 5.4077 | 0.004975 | 155 | 155 | [
"Al",
"B",
"O",
"Sm"
] |
mp-569673 | mp-569673 | PrI2 | # generated using pymatgen
data_PrI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.92303845
_cell_length_b 8.92303845
_cell_length_c 8.92303845
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr... | # generated using pymatgen
data_PrI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.61908199
_cell_length_b 12.61908199
_cell_length_c 12.61908199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.867776525923026,
1.011092499326431,
4.461519224999999
],
[
2.575859325548439,
4.252352887932343,
4.461519224999998
],
[
1.4299007253611478,
1.011092499326431,
6.446377743894898
],
[
1.4299007253611475,
1.01109249932643,
2.476660706105099
],
[
5... | [
[
7.727577976645322,
0,
4.461519224999999
],
[
2.575859325548439,
7.285630385911637,
4.461519224999999
],
[
0,
0,
8.92303845
]
] | [
59,
59,
59,
59,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.572664 | 0 | 0 | 216 | 216 | [
"I",
"Pr"
] |
mp-1103515 | mp-1103515 | Na2U(TeO5)2 | # generated using pymatgen
data_Na2U(TeO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93485900
_cell_length_b 6.76732089
_cell_length_c 8.60818532
_cell_angle_alpha 91.54760307
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.90137130
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Na2U(TeO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.95003494
_cell_length_b 3.93485900
_cell_length_c 8.60818532
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.61748509
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0.0000018749749861331743,
1.1987407288831557,
7.981059216257686
],
[
1.9674275051911205,
0.3549937786209724,
4.289101443246706
],
[
1.9674272231386352,
4.0120115705466945,
6.068324400880978
],
[
-2.392055315081058e-7,
3.101475537899152,
3.044560590631329... | [
[
3.934859,
0,
2.4094062397230777e-16
],
[
-1.9674299991955697,
6.472437482833563,
-0.1827683159271231
],
[
0,
0,
8.60818532
]
] | [
11,
11,
92,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.191048 | 1.8873 | 0.015429 | 12 | 12 | [
"Na",
"O",
"Te",
"U"
] |
mp-1113337 | mp-1113337 | Cs2ScCuCl6 | # generated using pymatgen
data_Cs2ScCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28494216
_cell_length_b 7.28494216
_cell_length_c 7.28494216
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2ScCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.30246400
_cell_length_b 10.30246400
_cell_length_c 10.30246400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.1029816585534267,
1.4870325914740603,
3.6424710800000026
],
[
6.308944975660281,
4.461097774422183,
10.92741324
],
[
0,
0,
0
],
[
4.205963317106853,
2.9740651829481215,
7.284942160000001
],
[
3.1357685689589663,
4.487549110159323,
5.431... | [
[
6.308944975660282,
0,
3.6424710799999995
],
[
2.102981658553426,
5.948130365896244,
3.642471079999999
],
[
0,
0,
7.28494216
]
] | [
55,
55,
21,
29,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.092301 | 1.9632 | 0.05225 | 225 | 225 | [
"Cl",
"Cs",
"Cu",
"Sc"
] |
mp-1213193 | mp-1213193 | CsEr(WO4)2 | # generated using pymatgen
data_CsEr(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08677544
_cell_length_b 6.08677544
_cell_length_c 8.27821700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999395
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CsEr(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08677544
_cell_length_b 6.08677544
_cell_length_c 8.27821700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
0,
0,
4.1391085
],
[
3.0433879983047727,
1.7571006658306203,
6.075714584980001
],
[
2.7353387704280294e-15,
3.514201331661241,
2.2025024150200005
],
[
3.0433879983047736,
3.4922692011503425,
5.4943022922020015
],
[
7.... | [
[
6.086775996609542,
0,
1.7242433085030704e-15
],
[
-3.043387998304768,
5.271301997491861,
3.7270750298623607e-16
],
[
0,
0,
8.278217
]
] | [
55,
68,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.647957 | 4.7319 | 0 | 164 | 164 | [
"Cs",
"Er",
"O",
"W"
] |
mp-977453 | mp-977453 | Ca2CdIn | # generated using pymatgen
data_Ca2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45894072
_cell_length_b 5.45894072
_cell_length_c 5.45894072
_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_Ca2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72010800
_cell_length_b 7.72010800
_cell_length_c 7.72010800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.727581341273313,
3.3429048250253546,
8.18841108
],
[
1.5758604470911046,
1.114301608341785,
2.7294703599999997
],
[
0,
0,
0
],
[
3.1517208941822092,
2.22860321668357,
5.458940719999999
]
] | [
[
4.727581341273314,
0,
2.7294703599999997
],
[
1.575860447091104,
4.45720643336714,
2.729470359999999
],
[
0,
0,
5.45894072
]
] | [
20,
20,
48,
49
] | [
1,
1,
1
] | -0.423421 | 0 | 0 | 225 | 225 | [
"Ca",
"Cd",
"In"
] |
mp-35929 | mp-35929 | LiMnO2 | # generated using pymatgen
data_LiMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75183121
_cell_length_b 6.11743095
_cell_length_c 5.75192762
_cell_angle_alpha 63.66245315
_cell_angle_beta 88.38734357
_cell_angle_gamma 63.66266690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24805248
_cell_length_b 8.01910827
_cell_length_c 6.11743095
_cell_angle_alpha 90.00000000
_cell_angle_beta 128.22702871
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0360056071991077,
2.5199426541063885,
5.610525498254356
],
[
0.0000895379733255687,
0.00001511962568470266,
6.117453951461747
],
[
2.2465146723211014,
0.26735530111946854,
5.864021086618953
],
[
1.8255060758997153,
4.7726056052217345,
5.357215530901177... | [
[
5.154776988524386,
0,
2.5518300231225264
],
[
-1.0826708227987312,
5.0398752284623205,
2.5518920268520477
],
[
0,
0,
6.11743095
]
] | [
3,
3,
3,
3,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.097674 | 0.9313 | 0.062196 | 15 | 15 | [
"Li",
"Mn",
"O"
] |
mp-1226491 | mp-1226491 | CeSi2RuRh | # generated using pymatgen
data_CeSi2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78677085
_cell_length_b 5.78677085
_cell_length_c 5.78677085
_cell_angle_alpha 137.80182616
_cell_angle_beta 137.80182616
_cell_angle_gamma 61.20664688
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CeSi2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16626600
_cell_length_b 4.16626600
_cell_length_c 9.96149199
_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
],
[
2.0765461460296835,
2.4125897429583003,
-0.40502037050049533
],
[
1.231720666617578,
1.4310477290153365,
3.192230185133503
],
[
2.770544948316989,
0.9609093679934094,
1.3936049071974888
],
[
0.5377218643302728,
2.882728103980228,... | [
[
3.886956490310346,
0,
-1.4997805179215267
],
[
-0.5786896776630849,
3.843637471973637,
-1.4997805174454661
],
[
0,
0,
5.78677085
]
] | [
58,
14,
14,
44,
45
] | [
1,
1,
1
] | -0.962288 | 0 | 0 | 119 | 119 | [
"Ce",
"Rh",
"Ru",
"Si"
] |
mp-20576 | mp-20576 | Ge2Pt3 | # generated using pymatgen
data_Ge2Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37950210
_cell_length_b 6.37950210
_cell_length_c 7.67381300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.75464930
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ge2Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54311000
_cell_length_b 12.25718400
_cell_length_c 7.67381300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.5543122344752192e-15,
6.128592001799595,
7.673813000000001
],
[
-3.3060357858306804e-16,
2.9967221454879556,
5.75535975
],
[
-1.5543122344752192e-15,
6.128592001799595,
3.836906500000001
],
[
1.771555000383117,
3.13186985631164,
1.9184532500000018
]... | [
[
3.5431100007662346,
0,
1.0036813763993333e-15
],
[
-1.7715550003831189,
6.128592001799595,
3.906318413459409e-16
],
[
0,
0,
7.673813
]
] | [
32,
32,
32,
32,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.42353 | 0 | 0.00395 | 63 | 63 | [
"Ge",
"Pt"
] |
mp-546285 | mp-546285 | NbI3O | # generated using pymatgen
data_NbI3O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05382457
_cell_length_b 8.05382457
_cell_length_c 13.21197146
_cell_angle_alpha 59.24891014
_cell_angle_beta 59.24891014
_cell_angle_gamma 28.81835188
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbI3O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.60095599
_cell_length_b 4.00830800
_cell_length_c 13.21197146
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.86474944
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.04884411679066,
7.371296983297518,
10.105640536348767
],
[
3.33881290881905,
0.4081486132213664,
2.863820699461273
],
[
2.460520202676598,
4.97103461839318,
8.968749096649258
],
[
1.8225881581737187,
5.957927307321968,
1.2563582694303503
],
[
5... | [
[
3.9461915738453706,
0,
0.702926072766508
],
[
1.8727092131457348,
7.779445596518881,
0.9150282061979088
],
[
0,
0,
11.428323421003618
]
] | [
41,
41,
53,
53,
53,
53,
53,
53,
8,
8
] | [
1,
1,
1
] | -1.405362 | 0.8325 | 0 | 5 | 5 | [
"I",
"Nb",
"O"
] |
mp-1219312 | mp-1219312 | ScCuSe2 | # generated using pymatgen
data_ScCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94491286
_cell_length_b 3.94491286
_cell_length_c 6.29205200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001441
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ScCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94491286
_cell_length_b 3.94491286
_cell_length_c 6.29205200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9724560003850213,
1.1387983335047371,
6.209443649292001
],
[
-7.80921993167191e-17,
2.2775966670094743,
2.373909422924001
],
[
-7.80921993167191e-17,
2.2775966670094743,
4.789302344684
],
[
0,
0,
1.5520919270999998
]
] | [
[
3.9449120007700422,
0,
1.1175026194080495e-15
],
[
-1.972456000385022,
3.416395000514212,
2.4155624534571155e-16
],
[
0,
0,
6.292052
]
] | [
21,
29,
34,
34
] | [
1,
1,
1
] | -1.331592 | 0.6783 | 0.013734 | 156 | 156 | [
"Cu",
"Sc",
"Se"
] |
mp-752398 | mp-752398 | BaCuO2 | # generated using pymatgen
data_BaCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02477200
_cell_length_b 4.02477200
_cell_length_c 3.87733900
_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_BaCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02477200
_cell_length_b 4.02477200
_cell_length_c 3.87733900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9386694999999996,
2.012386,
2.0123860000000002
],
[
0,
0,
0
],
[
-1.2322310367744727e-16,
2.012386,
1.2322310367744727e-16
],
[
-2.464462073548945e-16,
4.024772,
2.0123860000000002
]
] | [
[
3.877339,
0,
2.3741853977795995e-16
],
[
-2.4644620735489454e-16,
4.024772,
2.4644620735489454e-16
],
[
0,
0,
4.024772
]
] | [
56,
29,
8,
8
] | [
1,
1,
1
] | -1.914643 | 0 | 0.077323 | 123 | 123 | [
"Ba",
"Cu",
"O"
] |
mp-567600 | mp-567600 | Sm(SiAg)2 | # generated using pymatgen
data_Sm(SiAg)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14934116
_cell_length_b 6.14934116
_cell_length_c 6.14934116
_cell_angle_alpha 139.88685625
_cell_angle_beta 139.88685625
_cell_angle_gamma 58.02513155
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(SiAg)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21780600
_cell_length_b 4.21780600
_cell_length_c 10.75536201
_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
],
[
2.0864592363502883,
2.3858517552252447,
-0.4344049014115283
],
[
1.347459352514955,
1.5408104818361994,
3.6907715120915143
],
[
2.8394870949300257,
0.9816655592653609,
1.6281833052207226
],
[
0.5944314939352174,
2.944996677796083... | [
[
3.96201489542743,
0,
-1.4464872748985478
],
[
-0.5280963065621868,
3.9266622370614446,
-1.4464872744214659
],
[
0,
0,
6.14934116
]
] | [
62,
14,
14,
47,
47
] | [
1,
1,
1
] | -0.398042 | 0 | 0 | 139 | 139 | [
"Ag",
"Si",
"Sm"
] |
mp-7818 | mp-7818 | Pd4Se | # generated using pymatgen
data_Pd4Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31480700
_cell_length_b 5.31480700
_cell_length_c 5.76239700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_Pd4Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31480700
_cell_length_b 5.31480700
_cell_length_c 5.76239700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
4.079598019937,
1.978670757258,
4.872216149043
],
[
4.6360742572580005,
1.422194519937,
1.9910176490430005
],
[
0.6787327427419997,
3.8926124800629998,
1.9910176490430005
],
[
3.3361362427419996,
4.079598019937,
0.8901808509570005
],
[
1.42219451... | [
[
5.314807,
0,
3.2543806903179736e-16
],
[
-3.2543806903179736e-16,
5.314807,
3.2543806903179736e-16
],
[
0,
0,
5.762397
]
] | [
46,
46,
46,
46,
46,
46,
46,
46,
34,
34
] | [
1,
1,
1
] | -0.254717 | 0 | 0 | 114 | 114 | [
"Pd",
"Se"
] |
mp-545796 | mp-545796 | Cr3O8 | # generated using pymatgen
data_Cr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26046381
_cell_length_b 5.26048529
_cell_length_c 6.88150698
_cell_angle_alpha 88.31799988
_cell_angle_beta 88.31754169
_cell_angle_gamma 62.36648129
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Cr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.00083766
_cell_length_b 5.44750323
_cell_length_c 6.88150698
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.96643696
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
4.92341487355766,
2.981485960176737,
5.208659059474742
],
[
7.69405464451767,
4.659342989565654,
3.749572636215631
],
[
2.7704012379286453,
1.6777125793558367,
1.982304353882671
],
[
4.31049696667058,
0.9872740389880188,
2.276109118791164
],
[
6.... | [
[
5.258218708158721,
0,
0.1544069411523565
],
[
2.4363952067795323,
4.659678486416675,
0.15444836006586374
],
[
0,
0,
6.88150698
]
] | [
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.649624 | 0.5084 | 0.049332 | 12 | 12 | [
"Cr",
"O"
] |
mp-754087 | mp-754087 | Li3Fe2(SiO4)2 | # generated using pymatgen
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03224900
_cell_length_b 5.33396397
_cell_length_c 6.63999125
_cell_angle_alpha 90.51656428
_cell_angle_beta 90.09538384
_cell_angle_gamma 90.66008062
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03224900
_cell_length_b 5.33396397
_cell_length_c 6.63999125
_cell_angle_alpha 90.51656428
_cell_angle_beta 90.09538384
_cell_angle_gamma 90.66008062
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.5081057858911757,
0.9298769445352869,
0.030940919739776133
],
[
-0.02343837591722376,
4.3430720036887935,
3.3008841390657904
],
[
4.9942459967955175,
1.8462177394564037,
5.0245112174662525
],
[
-0.03188749557051065,
4.3609548680135815,
0.08822253227703... | [
[
5.032242026731843,
0,
-0.008377493348076909
],
[
-0.06152914211158037,
5.333392282966945,
-0.04808902076151875
],
[
0,
0,
6.63999125
]
] | [
3,
3,
3,
26,
26,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.515153 | 1.6271 | 0.041213 | 1 | 1 | [
"Fe",
"Li",
"O",
"Si"
] |
mp-16314 | mp-16314 | TmSbPt | # generated using pymatgen
data_TmSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64068665
_cell_length_b 4.64068665
_cell_length_c 4.64068665
_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_TmSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56292200
_cell_length_b 6.56292200
_cell_length_c 6.56292200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.679301686602202,
1.8945523914409712,
4.640686649999999
],
[
0,
0,
0
],
[
1.3396508433011012,
0.9472761957204858,
2.3203433250000005
]
] | [
[
4.018952529903304,
0,
2.3203433250000005
],
[
1.3396508433011005,
3.7891047828819433,
2.3203433250000005
],
[
0,
0,
4.64068665
]
] | [
69,
51,
78
] | [
1,
1,
1
] | -1.27747 | 0.2443 | 0 | 216 | 216 | [
"Tm",
"Sb",
"Pt"
] |
mp-555929 | mp-555929 | Sr2MnMoO6 | # generated using pymatgen
data_Sr2MnMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73340442
_cell_length_b 8.09845473
_cell_length_c 5.76262900
_cell_angle_alpha 90.00027348
_cell_angle_beta 90.00067756
_cell_angle_gamma 90.13361431
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr2MnMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73340442
_cell_length_b 5.76262900
_cell_length_c 9.91162636
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.20804396
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.834476675639021,
3.0606129384567238,
6.084182970304231
],
[
0.03217365579194044,
0.17929843869139678,
6.070199746953719
],
[
5.701146963138179,
5.583330560839258,
2.0416528310463886
],
[
2.8988439432228854,
2.7020218237029296,
2.0276696077233827
],
... | [
[
5.733388830109453,
0,
0.013370342243270727
],
[
-0.00006821117933425078,
5.762628999530654,
0.000027505756835644447
],
[
0,
0,
8.098454730000002
]
] | [
38,
38,
38,
38,
25,
25,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.649397 | 0.9301 | 0 | 14 | 14 | [
"Mn",
"Mo",
"O",
"Sr"
] |
mp-1283235 | mp-1283235 | Cr2NiO4 | # generated using pymatgen
data_Cr2NiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95165907
_cell_length_b 5.99100101
_cell_length_c 5.96493409
_cell_angle_alpha 60.85273406
_cell_angle_beta 60.08741831
_cell_angle_gamma 90.10491300
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cr2NiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.34065810
_cell_length_b 5.95165907
_cell_length_c 5.99100101
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.26098625
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.45743521605839,
2.1419319789309266,
-1.4623822629196803
],
[
0.0011363649266466652,
0.00041877173852433275,
2.9958182653985514
],
[
-2.976853338238494,
4.273018624470278,
-2.902204528400883
],
[
1.4838564663694749,
2.1335821832464745,
4.53418550001196
... | [
[
5.951649092510591,
0,
-0.010897941600486996
],
[
-2.9799066893443893,
4.273181005348481,
-2.9052571170851014
],
[
0,
0,
5.99100101
]
] | [
24,
24,
24,
24,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.033046 | 2.7742 | 0.007771 | 5 | 5 | [
"Cr",
"Ni",
"O"
] |
mp-644419 | mp-644419 | LiHS | # generated using pymatgen
data_LiHS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94303500
_cell_length_b 6.16526600
_cell_length_c 7.85631400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | # generated using pymatgen
data_LiHS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94303500
_cell_length_b 6.16526600
_cell_length_c 7.85631400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | [
[
1.968650913555,
1.5415631106399998,
1.9529775283180002
],
[
1.9686509135549999,
4.62370288936,
1.9529775283180004
],
[
1.974384086445,
4.62370288936,
5.881134528318
],
[
1.9743840864450002,
1.5415631106399998,
5.881134528318
],
[
0.053258573745,
... | [
[
3.943035,
0,
2.414412595837992e-16
],
[
-3.7751366363960027e-16,
6.165266,
3.7751366363960027e-16
],
[
0,
0,
7.856314
]
] | [
3,
3,
3,
3,
1,
1,
1,
1,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.935107 | 3.5253 | 0.000388 | 26 | 26 | [
"Li",
"H",
"S"
] |
mp-864798 | mp-864798 | HfZnIr2 | # generated using pymatgen
data_HfZnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46805077
_cell_length_b 4.46805077
_cell_length_c 4.46805077
_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_HfZnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31877800
_cell_length_b 6.31877800
_cell_length_c 6.31877800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5796303148124133,
1.8240740885582463,
4.468050769999998
],
[
0,
0,
0
],
[
3.8694454722186213,
2.7361111328373693,
6.7020761549999985
],
[
1.2898151574062071,
0.9120370442791227,
2.234025385
]
] | [
[
3.869445472218622,
0,
2.2340253849999994
],
[
1.2898151574062071,
3.6481481771164925,
2.234025385
],
[
0,
0,
4.468050769999999
]
] | [
72,
30,
77,
77
] | [
1,
1,
1
] | -0.743333 | 0 | 0 | 225 | 225 | [
"Hf",
"Zn",
"Ir"
] |
mp-1226084 | mp-1226084 | CoNiSe4 | # generated using pymatgen
data_CoNiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88243400
_cell_length_b 5.87472300
_cell_length_c 5.89815569
_cell_angle_alpha 89.31000414
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoNiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87472300
_cell_length_b 5.88243400
_cell_length_c 5.89815569
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.68999586
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9371485047791013,
5.882434,
2.913704937908006
],
[
-1.8009759923238903e-16,
2.941217,
2.949077845
],
[
0,
0,
0
],
[
2.9371485047791017,
2.941217,
5.862782782908006
],
[
0.7028948829756961,
3.6463325987119997,
5.133098709567561
],
[
... | [
[
5.874297009558203,
0,
-0.0707458141839887
],
[
-3.6019519846477806e-16,
5.882434,
3.6019519846477806e-16
],
[
0,
0,
5.89815569
]
] | [
27,
27,
28,
28,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.573273 | 0 | 0.010319 | 14 | 14 | [
"Co",
"Ni",
"Se"
] |
mp-14088 | mp-14088 | Rb2PdF6 | # generated using pymatgen
data_Rb2PdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21071968
_cell_length_b 6.21071968
_cell_length_c 6.21071968
_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_Rb2PdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78328400
_cell_length_b 8.78328400
_cell_length_c 8.78328400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7928803395546535,
1.2677578459551364,
3.105359840000002
],
[
5.378641018663959,
3.8032735378654063,
9.31607952
],
[
0,
0,
0
],
[
5.576037144048927,
3.9428536767050675,
6.210719680000001
],
[
4.5808989115791166,
1.1281777071154748,
4.487... | [
[
5.37864101866396,
0,
3.1053598399999993
],
[
1.7928803395546522,
5.071031383820541,
3.1053598400000006
],
[
0,
0,
6.2107196799999995
]
] | [
37,
37,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.402988 | 2.3181 | 0 | 225 | 225 | [
"Rb",
"Pd",
"F"
] |
mp-755067 | mp-755067 | Cr4OF11 | # generated using pymatgen
data_Cr4OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10184700
_cell_length_b 7.30022652
_cell_length_c 5.37208209
_cell_angle_alpha 94.22211716
_cell_angle_beta 89.99997881
_cell_angle_gamma 89.99995449
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cr4OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37208209
_cell_length_b 5.10184700
_cell_length_c 7.30022652
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.22211716
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.006469142704687835,
0.0016501109137674098,
3.651889507038291
],
[
0.006471442237350337,
5.355879643376875,
6.902916679868427
],
[
2.5389761248934075,
2.678981856015476,
3.3758297330608693
],
[
2.5389761246955276,
2.678521110760333,
-0.12121486456400854... | [
[
5.101846999998391,
0,
0.000004052393719189579
],
[
0.0000023009385359477303,
5.357502966775809,
-0.3955097251419662
],
[
0,
0,
7.30022652
]
] | [
24,
24,
24,
24,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.880992 | 0.7999 | 0.037097 | 3 | 3 | [
"Cr",
"F",
"O"
] |
mp-1205785 | mp-1205785 | LuMn2SiC | # generated using pymatgen
data_LuMn2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63652900
_cell_length_b 5.58296183
_cell_length_c 6.95767100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.00684271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LuMn2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63652900
_cell_length_b 10.55715401
_cell_length_c 6.95767100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.0000013599772483448065,
4.82562758926745,
1.7394177500000005
],
[
1.8182626387191383,
0.45294941408026396,
5.21825325
],
[
0.0000016500064537730303,
1.77170686398063,
0.4212869790500002
],
[
1.8182623486899325,
3.506870139367084,
6.536384020950001
],... | [
[
3.636529,
0,
2.2267317999282624e-16
],
[
-1.8182650013036135,
5.2785770033477135,
3.418578167435675e-16
],
[
0,
0,
6.957671
]
] | [
71,
71,
25,
25,
25,
25,
14,
14,
6,
6
] | [
1,
1,
1
] | -0.511297 | 0 | 0 | 63 | 63 | [
"C",
"Lu",
"Mn",
"Si"
] |
mp-773102 | mp-773102 | Ce4YO9 | # generated using pymatgen
data_Ce4YO9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.33852095
_cell_length_b 10.33852095
_cell_length_c 10.33852095
_cell_angle_alpha 158.69885267
_cell_angle_beta 149.00484876
_cell_angle_gamma 37.91764808
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ce4YO9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82150800
_cell_length_b 5.52485600
_cell_length_c 19.55536000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7882982847786626,
4.2411200782760705,
4.4882269930362915
],
[
2.109880631259604,
3.1615881471880236,
0.8807479784448541
],
[
1.3743344269015827,
2.0371935733500264,
7.308009422243719
],
[
0.6918131780939061,
1.0363227941327446,
3.678699242619819
],
... | [
[
3.7556733395749218,
0,
-0.7062868789241195
],
[
-0.2776175033429,
5.316738889541415,
-1.4762282708033494
],
[
0,
0,
10.33852095
]
] | [
58,
58,
58,
58,
39,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.9122 | 0 | 0.031004 | 44 | 44 | [
"Ce",
"O",
"Y"
] |
mp-1104663 | mp-1104663 | Cs(MoSe)3 | # generated using pymatgen
data_Cs(MoSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.10048696
_cell_length_b 10.10048696
_cell_length_c 4.53725000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999320
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Cs(MoSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.10048696
_cell_length_b 10.10048696
_cell_length_c 4.53725000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
3.4029375000000024,
5.8315192648855705,
-6.920986128293077e-7
],
[
1.1343125000000012,
2.9157596324427866,
5.0502431339506915
],
[
3.402937500000003,
7.5323518367206255,
-4.106990198223958
],
[
1.1343125000000005,
1.21492706060773,
9.157232640076037
],... | [
[
4.53725,
0,
2.778264344715664e-16
],
[
3.3489558187095583e-15,
8.747278897328355,
-5.0502445181479185
],
[
0,
0,
10.10048696
]
] | [
55,
55,
42,
42,
42,
42,
42,
42,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.928307 | 0.4913 | 0 | 176 | 176 | [
"Cs",
"Mo",
"Se"
] |
mp-28220 | mp-28220 | HfFeCl6 | # generated using pymatgen
data_HfFeCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36160565
_cell_length_b 6.36160565
_cell_length_c 12.87187700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999635
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_HfFeCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36160565
_cell_length_b 6.36160565
_cell_length_c 12.87187700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.180803000484034,
1.8364373334809532,
9.65390775
],
[
1.244870650971265e-15,
3.6728746669619063,
3.217969250000001
],
[
0,
0,
9.65390775
],
[
0,
0,
3.21796925
],
[
1.1680735626557504,
1.6753487234626712,
11.070650892005
],
[
4.04... | [
[
6.361606000968067,
0,
1.8020963124997698e-15
],
[
-3.1808030004840324,
5.509312000442859,
3.8953599983551086e-16
],
[
0,
0,
12.871877
]
] | [
72,
72,
26,
26,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.869194 | 0.8675 | 0.005522 | 163 | 163 | [
"Cl",
"Fe",
"Hf"
] |
mp-978989 | mp-978989 | Tc7B3 | # generated using pymatgen
data_Tc7B3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51703005
_cell_length_b 7.51703005
_cell_length_c 4.86651300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000045
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tc7B3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51703005
_cell_length_b 7.51703005
_cell_length_c 4.86651300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.628467516605001,
2.9578102939264728,
5.123077754692063
],
[
2.1952110166050014,
3.552128660865227,
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],
[
4.628467516605001,
2.9578102939264728,
2.393944824739063
],
[
4.628467516605,
0.5943118569997985,
3.758511271152689
],
[
... | [
[
4.866513,
0,
2.9798797842294917e-16
],
[
2.492374851424073e-15,
6.509938954791701,
-3.758514973871058
],
[
0,
0,
7.517030049999999
]
] | [
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.318541 | 0 | 0 | 186 | 186 | [
"B",
"Tc"
] |
mp-1102065 | mp-1102065 | HoAl3 | # generated using pymatgen
data_HoAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90684022
_cell_length_b 7.90684022
_cell_length_c 7.90684006
_cell_angle_alpha 45.83990805
_cell_angle_beta 45.83990805
_cell_angle_gamma 45.83990260
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_HoAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15855432
_cell_length_b 6.15855432
_cell_length_c 21.18678161
_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
],
[
6.255707077053317,
4.04366283749824,
8.925565350598498
],
[
1.7457396423448541,
1.1284387885729628,
3.778107874452444
],
[
4.000723359699085,
2.5860508130356012,
2.398416582525469
],
[
5.165278835729388,
5.1721016260712025,
3... | [
[
5.6723357673375645,
0,
2.398416582525469
],
[
2.3291109520606055,
5.1721016260712025,
2.398416582525469
],
[
0,
0,
7.90684006
]
] | [
67,
67,
67,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.422171 | 0 | 0 | 166 | 166 | [
"Al",
"Ho"
] |
mp-568588 | mp-568588 | NdTlSe2 | # generated using pymatgen
data_NdTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16913530
_cell_length_b 8.16913530
_cell_length_c 8.16913498
_cell_angle_alpha 30.74601250
_cell_angle_beta 30.74601250
_cell_angle_gamma 30.74601138
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33130603
_cell_length_b 4.33130603
_cell_length_c 23.33092994
_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
],
[
3.0533265888285532,
1.8517310126368685,
5.23280454778824
],
[
4.49853934315924,
2.7281997424622024,
8.14545621701852
],
[
1.6081138344978674,
0.9752622828115356,
2.320152878557958
]
] | [
[
4.1763337888139,
0,
1.14823705778824
],
[
1.9303193888432069,
3.703462025273738,
1.14823705778824
],
[
0,
0,
8.16913498
]
] | [
60,
81,
34,
34
] | [
1,
1,
1
] | -1.609351 | 1.4442 | 0 | 166 | 166 | [
"Nd",
"Se",
"Tl"
] |
mp-1189209 | mp-1189209 | Ho2Te3 | # generated using pymatgen
data_Ho2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.45707643
_cell_length_b 13.79882196
_cell_length_c 7.49956923
_cell_angle_alpha 79.52066473
_cell_angle_beta 69.80918532
_cell_angle_gamma 30.67014995
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ho2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67686200
_cell_length_b 12.23463200
_cell_length_c 26.19813000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.14333211913862878,
5.6897556676303696,
7.59279390806471
],
[
-0.6177701824032188,
4.559249411393699,
3.4779714662603123
],
[
4.219477264891531,
6.267416924564377,
9.013354152312656
],
[
0.38055115077092344,
0.5652531281183356,
2.057411220902198
],
... | [
[
7.3744806867582735,
0,
-1.3640282945027373
],
[
-2.7744522710958184,
6.832670052682713,
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],
[
0,
0,
13.79882196
]
] | [
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67,
67,
67,
67,
67,
67,
67,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.650433 | 0.5308 | 0 | 70 | 70 | [
"Ho",
"Te"
] |
mp-865606 | mp-865606 | CsTaGeS5 | # generated using pymatgen
data_CsTaGeS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06244000
_cell_length_b 7.48602710
_cell_length_c 9.54044971
_cell_angle_alpha 67.34803584
_cell_angle_beta 77.48155292
_cell_angle_gamma 74.84189850
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsTaGeS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06244000
_cell_length_b 7.48602710
_cell_length_c 9.54044971
_cell_angle_alpha 67.34803584
_cell_angle_beta 77.48155292
_cell_angle_gamma 74.84189850
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.652844772873083,
2.37914174733054,
4.919135486929746
],
[
3.6066918827762797,
4.393232220664257,
9.035237948794665
],
[
1.691207806954744,
0.1896332434778223,
0.4883508603042254
],
[
6.568328848694619,
6.582740724516974,
13.466022575420183
],
[
... | [
[
6.8945394662619774,
0,
1.5308116480338145
],
[
1.3649971893873856,
6.772373967994796,
2.8831120776905936
],
[
0,
0,
9.54044971
]
] | [
55,
55,
73,
73,
32,
32,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.173061 | 1.0023 | 0 | 2 | 2 | [
"Cs",
"Ge",
"S",
"Ta"
] |
mp-1102093 | mp-1102093 | EuI2 | # generated using pymatgen
data_EuI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93951100
_cell_length_b 8.44439500
_cell_length_c 12.45722100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_EuI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93951100
_cell_length_b 8.44439500
_cell_length_c 12.45722100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
3.70463325,
7.3654630952449995,
10.31893901535
],
[
3.70463325,
5.301129404755001,
4.09032851535
],
[
1.23487775,
1.078931904755,
2.1382819846500003
],
[
1.2348777499999999,
3.143265595245,
8.36689248465
],
[
1.23487775,
1.0549244897699999,
... | [
[
4.939511,
0,
3.024578167751571e-16
],
[
-5.170700653742957e-16,
8.444395,
5.170700653742957e-16
],
[
0,
0,
12.457221
]
] | [
63,
63,
63,
63,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.873536 | 1.2303 | 0 | 62 | 62 | [
"Eu",
"I"
] |
mp-1024991 | mp-1024991 | ErCu2 | # generated using pymatgen
data_ErCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38952581
_cell_length_b 5.38952581
_cell_length_c 5.38952581
_cell_angle_alpha 133.06902155
_cell_angle_beta 102.57712526
_cell_angle_gamma 95.70274994
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29218200
_cell_length_b 6.74120199
_cell_length_c 7.23334799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
2.337758059342772,
1.4397455872428162,
5.393707993091294
],
[
3.4295838237600265,
3.4918188760732756,
2.8785388551773505
],
[
4.596036659229633,
3.52860341540515,
5.580981920040809
],
[
1.171305223873164,
1.4029610479109418,
2.6912649282278336
],
[
... | [
[
3.9372189108441744,
0,
1.709132393171925
],
[
1.8301229722586232,
4.931564463316091,
1.173588644809287
],
[
0,
0,
5.389525810287432
]
] | [
68,
68,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.283235 | 0 | 0 | 74 | 74 | [
"Er",
"Cu"
] |
mp-561310 | mp-561310 | NaLiCO3 | # generated using pymatgen
data_NaLiCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41836170
_cell_length_b 8.41836170
_cell_length_c 3.40376100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999762
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaLiCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41836170
_cell_length_b 8.41836170
_cell_length_c 3.40376100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7018805000000017,
4.7790639856726465,
5.65916768905295
],
[
1.7018805,
3.0237783516489144e-16,
5.518387624860599
],
[
1.7018805000000008,
2.511451279617774,
1.4499869332469408
],
[
3.4037610000000007,
2.112711128213245,
7.198587302899791
],
[
1... | [
[
3.403761,
0,
2.084202506856297e-16
],
[
2.7912238543740015e-15,
7.290515265290422,
-4.209181152839511
],
[
0,
0,
8.4183617
]
] | [
11,
11,
11,
3,
3,
3,
6,
6,
6,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.160561 | 4.3134 | 0.009368 | 189 | 189 | [
"C",
"Li",
"Na",
"O"
] |
mp-1221909 | mp-1221909 | Mn2Cr3GaS8 | # generated using pymatgen
data_Mn2Cr3GaS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19849742
_cell_length_b 7.19849742
_cell_length_c 7.19849725
_cell_angle_alpha 59.94379394
_cell_angle_beta 59.94379394
_cell_angle_gamma 59.94380280
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Mn2Cr3GaS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19238148
_cell_length_b 7.19238148
_cell_length_c 17.64013130
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
3.115556650814827,
2.202096741015515,
8.994573626528961
],
[
5.194189889360426,
3.6712889250737475,
5.390193140212817
],
[
1.039599349157857,
2.9366928330446314,
5.395816004185445
],
[
0,
0,
3.599248625
],
[
3.11527392092977,
4.93532167313093... | [
[
6.23054784185954,
0,
3.593134758370889
],
[
2.079198698315714,
5.873385666089263,
3.593134758370889
],
[
0,
0,
7.19849725
]
] | [
25,
25,
24,
24,
24,
31,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.954273 | 0 | 0.022475 | 166 | 166 | [
"Cr",
"Ga",
"Mn",
"S"
] |
mp-3161 | mp-3161 | LiAlSi | # generated using pymatgen
data_LiAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19912109
_cell_length_b 4.19912109
_cell_length_c 4.19912109
_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_LiAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93845400
_cell_length_b 5.93845400
_cell_length_c 5.93845400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.424363691671334,
1.714284006443254,
4.199121089999999
],
[
0,
0,
0
],
[
1.2121818458356672,
0.8571420032216264,
2.0995605449999992
]
] | [
[
3.6365455375070024,
0,
2.0995605449999997
],
[
1.2121818458356668,
3.428568012886507,
2.0995605449999997
],
[
0,
0,
4.199121089999999
]
] | [
3,
13,
14
] | [
1,
1,
1
] | -0.191266 | 0.1426 | 0 | 216 | 216 | [
"Li",
"Al",
"Si"
] |
mp-12777 | mp-12777 | AlCu3 | # generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12733420
_cell_length_b 4.12733420
_cell_length_c 4.12733420
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83693200
_cell_length_b 5.83693200
_cell_length_c 5.83693200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
0,
0,
0
],
[
2.382917511405548,
1.6849771313230362,
4.1273342
],
[
3.574376267108323,
2.5274656969845535,
6.1910013
],
[
1.1914587557027743,
0.8424885656615175,
2.0636671
]
] | [
[
3.574376267108323,
0,
2.0636671000000004
],
[
1.1914587557027745,
3.3699542626460715,
2.0636671000000004
],
[
0,
0,
4.1273342
]
] | [
13,
29,
29,
29
] | [
1,
1,
1
] | -0.164554 | 0 | 0.024885 | 225 | 225 | [
"Al",
"Cu"
] |
mp-1224326 | mp-1224326 | Ge3Te2Se | # generated using pymatgen
data_Ge3Te2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16410996
_cell_length_b 4.16410996
_cell_length_c 10.22414800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999939
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ge3Te2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16410996
_cell_length_b 4.16410996
_cell_length_c 10.22414800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
5.112074
],
[
2.082054999196852,
1.2020749994761653,
8.627810876168
],
[
7.249654581844471e-16,
2.404149998952331,
1.5963371238320005
],
[
2.082054999196852,
1.2020749994761653,
3.372527235132001
],
[
7.249654581844471e-16,
2.4041499989... | [
[
4.164109998393704,
0,
1.1795963584992199e-15
],
[
-2.0820549991968513,
3.6062249984284955,
2.5497819669058067e-16
],
[
0,
0,
10.224148
]
] | [
32,
32,
32,
52,
52,
34
] | [
1,
1,
1
] | -0.32154 | 0.4732 | 0.031169 | 164 | 164 | [
"Ge",
"Se",
"Te"
] |
mp-1171226 | mp-1171226 | MnZn(SiO3)2 | # generated using pymatgen
data_MnZn(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40911147
_cell_length_b 6.90533274
_cell_length_c 6.90531622
_cell_angle_alpha 87.34269835
_cell_angle_beta 74.96233440
_cell_angle_gamma 74.96205594
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_MnZn(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.98941547
_cell_length_b 9.53654043
_cell_length_c 5.40911147
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.02072960
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
5.499411717902798,
5.960550616992428,
2.0705236969597585
],
[
1.4935346194605714,
0.7066667572649916,
6.558234907813729
],
[
4.337196621084337,
1.5799594447659129,
6.397422343680332
],
[
2.655897921322286,
5.087304599686435,
2.231464760023798
],
[
... | [
[
5.223879005459685,
0,
1.4034154877309455
],
[
1.7691698730526932,
6.6671707040624915,
0.32014530027703036
],
[
0,
0,
6.90531622
]
] | [
25,
25,
30,
30,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.72319 | 2.244 | 0.021462 | 15 | 15 | [
"Mn",
"O",
"Si",
"Zn"
] |
mp-989546 | mp-989546 | SrTcN3 | # generated using pymatgen
data_SrTcN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65380809
_cell_length_b 6.65380809
_cell_length_c 5.76897500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 143.10083523
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrTcN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21146200
_cell_length_b 12.62363800
_cell_length_c 5.76897500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.51374801558274,
1.44224375,
0.881020663132035
],
[
1.481255370470759,
4.32673125,
4.43998582473946
],
[
0.3799887420678654,
4.32673125,
1.1389964633888257
],
[
3.6150146439856337,
1.44224375,
4.182010024482669
],
[
1.813747517281833,
1.4422... | [
[
3.995003386053498,
0,
-1.3328016021285056
],
[
9.277219362918274e-16,
5.768975,
3.532478384055551e-16
],
[
0,
0,
6.65380809
]
] | [
38,
38,
43,
43,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.551649 | 0 | 0.019899 | 63 | 63 | [
"N",
"Sr",
"Tc"
] |
mp-1009130 | mp-1009130 | MnN | # generated using pymatgen
data_MnN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01245449
_cell_length_b 3.01245449
_cell_length_c 3.01245449
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnN... | # generated using pymatgen
data_MnN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26025400
_cell_length_b 4.26025400
_cell_length_c 4.26025400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnN... | [
[
0,
0,
0
],
[
2.608862116084495,
1.8447440934640327,
4.5186817349999995
]
] | [
[
2.6088621160844956,
0,
1.5062272449999996
],
[
0.8696207053614979,
2.459658791285377,
1.5062272449999994
],
[
0,
0,
3.01245449
]
] | [
25,
7
] | [
1,
1,
1
] | -0.478175 | 0.0945 | 0 | 216 | 216 | [
"Mn",
"N"
] |
mp-1189402 | mp-1189402 | Ta2Be17 | # generated using pymatgen
data_Ta2Be17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55553076
_cell_length_b 5.55553076
_cell_length_c 5.55553133
_cell_angle_alpha 82.88539235
_cell_angle_beta 82.88539235
_cell_angle_gamma 82.88539816
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ta2Be17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35408598
_cell_length_b 7.35408598
_cell_length_c 10.74837550
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.9761431622534582,
0.8738902987598446,
1.1055553885299156
],
[
5.144145265787012,
4.605286209048298,
5.826130569662078
],
[
2.453219691765174,
2.196240236330769,
2.7784554093659297
],
[
3.6670687362752967,
3.282936271477373,
4.1532305488260635
],
[
... | [
[
5.512755357816326,
0,
0.688077314095997
],
[
0.6075330702241445,
5.479176507808142,
0.6880773140959969
],
[
0,
0,
5.55553133
]
] | [
73,
73,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4
] | [
1,
1,
1
] | -0.182371 | 0 | 0 | 166 | 166 | [
"Be",
"Ta"
] |
mp-644486 | mp-644486 | KAlH4 | # generated using pymatgen
data_KAlH4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36992802
_cell_length_b 7.36992802
_cell_length_c 7.36992802
_cell_angle_alpha 137.01688898
_cell_angle_beta 137.01688898
_cell_angle_gamma 62.41206569
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KAlH4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40015400
_cell_length_b 5.40015400
_cell_length_c 12.60714201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.573771211075423,
1.2409847558970655,
1.7065414820238884
],
[
0,
0,
0
],
[
0.6719340392304862,
3.722954267691197,
1.7065414817500053
],
[
2.1228526251529547,
2.4819695117941314,
-1.978422528113053
],
[
2.0649674734609875,
4.561859962677613,
... | [
[
5.024689796997892,
0,
-1.97842252783917
],
[
-0.7789845466919822,
4.963939023588262,
-1.9784225283869357
],
[
0,
0,
7.36992802
]
] | [
19,
19,
13,
13,
1,
1,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.309002 | 4.8028 | 0.004677 | 88 | 88 | [
"Al",
"H",
"K"
] |
mp-979966 | mp-979966 | Yb2Cr2C3 | # generated using pymatgen
data_Yb2Cr2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39741959
_cell_length_b 5.39741959
_cell_length_c 5.54121561
_cell_angle_alpha 75.31400248
_cell_angle_beta 75.31400248
_cell_angle_gamma 38.42584818
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Yb2Cr2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.19359000
_cell_length_b 3.55236200
_cell_length_c 5.54121561
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.57354208
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.550849288972856e-15,
3.935457655309538,
-0.07183227459932043
],
[
1.7761810002455656,
0.9742169033196785,
4.244685720100672
],
[
4.1786556265457575e-16,
1.5539021784570306,
1.7975767851908868
],
[
1.7761810002455665,
3.355772380172187,
2.37527666031046... | [
[
3.5523620004911307,
0,
2.175194376657076e-16
],
[
-1.776181000245564,
4.9096745586292165,
-1.3683621644986481
],
[
0,
0,
5.54121561
]
] | [
70,
70,
24,
24,
6,
6,
6
] | [
1,
1,
1
] | -0.161457 | 0 | 0 | 12 | 12 | [
"C",
"Cr",
"Yb"
] |
mp-864748 | mp-864748 | Gd2MgIn | # generated using pymatgen
data_Gd2MgIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36226366
_cell_length_b 5.36226366
_cell_length_c 5.36226366
_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_Gd2MgIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58338599
_cell_length_b 7.58338599
_cell_length_c 7.58338599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.643856551350121,
3.283702458317246,
8.04339549
],
[
1.5479521837833732,
1.0945674861057466,
2.681131829999999
],
[
0,
0,
0
],
[
3.095904367566747,
2.1891349722114968,
5.362263659999999
]
] | [
[
4.6438565513501215,
0,
2.6811318300000004
],
[
1.547952183783374,
4.378269944422994,
2.6811318300000004
],
[
0,
0,
5.36226366
]
] | [
64,
64,
12,
49
] | [
1,
1,
1
] | -0.339881 | 0 | 0 | 225 | 225 | [
"Gd",
"Mg",
"In"
] |
mp-1190471 | mp-1190471 | Ba(Sn2Ru)3 | # generated using pymatgen
data_Ba(Sn2Ru)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.88494315
_cell_length_b 13.88494315
_cell_length_c 4.47893500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 145.50073376
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba(Sn2Ru)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23475600
_cell_length_b 26.52084800
_cell_length_c 4.47893500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.359201250000001,
4.626633555096523,
1.0155888471937622
],
[
1.1197337500000004,
3.2377382993671175,
10.427457146485196
],
[
3.35920125,
1.0612733886443053,
3.4179361509720456
],
[
1.119733750000001,
6.803098465819336,
8.025109842706913
],
[
3.3... | [
[
4.478935,
0,
2.742556705669525e-16
],
[
1.2646874504642434e-15,
7.864371854463641,
-2.4418971563210423
],
[
0,
0,
13.88494315
]
] | [
56,
56,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.303021 | 0 | 0 | 63 | 63 | [
"Ba",
"Ru",
"Sn"
] |
mp-1177394 | mp-1177394 | Li4Mn3CrO8 | # generated using pymatgen
data_Li4Mn3CrO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06259696
_cell_length_b 6.06259696
_cell_length_c 5.87615075
_cell_angle_alpha 61.66363899
_cell_angle_beta 61.66363899
_cell_angle_gamma 57.40132494
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li4Mn3CrO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63550001
_cell_length_b 5.82292600
_cell_length_c 5.87615075
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.76057913
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.5537624363008327,
1.7169690127450158e-16,
-1.3981824725500853
],
[
-0.7635138580433967,
2.47074249906074,
1.6367501656371855
],
[
0,
0,
0
],
[
1.790248578257436,
2.47074249906074,
0.2385676930870999
],
[
1.0267347202140393,
4.94148499812148... | [
[
5.107524872601665,
0,
-2.7963649451001706
],
[
-1.5270277160867933,
4.94148499812148,
-2.7890966287256287
],
[
0,
0,
6.06259696
]
] | [
3,
3,
3,
3,
25,
25,
25,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.202754 | 0.9579 | 0.019303 | 12 | 12 | [
"Cr",
"Li",
"Mn",
"O"
] |
mp-1188594 | mp-1188594 | Cu2TeO6 | # generated using pymatgen
data_Cu2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70249024
_cell_length_b 5.04234300
_cell_length_c 9.10624737
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.38496790
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cu2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70249024
_cell_length_b 5.04234300
_cell_length_c 9.69684785
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.36104100
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.409341703495991,
4.945898105438999,
5.870610891640119
],
[
0.07760035217206027,
2.617616394561,
1.6197054801608695
],
[
2.254140999151871,
0.096444894561,
2.63119993131838
],
[
4.585882350475802,
2.424726605439,
6.8821053427976295
],
[
2.331741... | [
[
4.663482702647863,
0,
-0.6044365470415013
],
[
-3.087544607576531e-16,
5.042343,
3.087544607576531e-16
],
[
0,
0,
9.10624737
]
] | [
29,
29,
29,
29,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.014238 | 0.0122 | 0.044914 | 14 | 14 | [
"Cu",
"O",
"Te"
] |
mp-850419 | mp-850419 | MnV4NiO12 | # generated using pymatgen
data_MnV4NiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82946831
_cell_length_b 6.82946831
_cell_length_c 5.86392339
_cell_angle_alpha 74.55604942
_cell_angle_beta 74.55604942
_cell_angle_gamma 84.04224498
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MnV4NiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.14719800
_cell_length_b 9.14335400
_cell_length_c 5.86392339
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.00534612
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.372680286486753,
6.017101520265533,
2.0121622768872145
],
[
3.4188112463343874,
2.5486506521356325,
2.4370857978564997
],
[
5.907897636529765,
1.3551747742951865,
4.351645790877218
],
[
4.233037504018531,
5.231172122610397,
5.54534673913528
],
[
... | [
[
5.652185426767083,
0,
1.5615368792413766
],
[
1.6909471097574225,
6.578741871302358,
0.7088657560289061
],
[
0,
0,
6.82946831
]
] | [
25,
23,
23,
23,
23,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.213327 | 2.0117 | 0.004159 | 5 | 5 | [
"Mn",
"Ni",
"O",
"V"
] |
mp-568052 | mp-568052 | K2Ga3 | # generated using pymatgen
data_K2Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67596059
_cell_length_b 8.67596059
_cell_length_c 8.67596059
_cell_angle_alpha 138.02584953
_cell_angle_beta 138.02584953
_cell_angle_gamma 60.86341113
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21471800
_cell_length_b 6.21471800
_cell_length_c 14.96140799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9317037764722085,
2.240348748905656,
5.035655367434574
],
[
4.1383693670936,
1.4348186190647827,
2.1121334063671076
],
[
3.0168910284284935,
3.498925727353474,
-0.8113885550393776
],
[
0.8102254378071021,
4.304455857194347,
2.1121334060280867
],
[
... | [
[
5.802441331736849,
0,
-2.2258468884633817
],
[
-0.8538465268361467,
5.73927447625913,
-2.2258468891414243
],
[
0,
0,
8.67596059
]
] | [
19,
19,
19,
19,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.146378 | 0.2755 | 0 | 139 | 139 | [
"Ga",
"K"
] |
mp-20346 | mp-20346 | TbInCo2 | # generated using pymatgen
data_TbInCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02689000
_cell_length_b 5.04366700
_cell_length_c 7.16322100
_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_TbInCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02689000
_cell_length_b 5.04366700
_cell_length_c 7.16322100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0134449999999995,
3.7827502500000003,
1.9972206263360004
],
[
2.013445,
1.26091675,
5.1660003736640006
],
[
-2.316266492818175e-16,
3.7827502500000003,
4.666372872135
],
[
-7.720888309393917e-17,
1.26091675,
2.4968481278650003
],
[
2.013445,
... | [
[
4.02689,
0,
2.4657589745092423e-16
],
[
-3.088355323757567e-16,
5.043667,
3.088355323757567e-16
],
[
0,
0,
7.163221
]
] | [
65,
65,
49,
49,
27,
27,
27,
27
] | [
1,
1,
1
] | -0.249611 | 0 | 0.009635 | 51 | 51 | [
"Co",
"In",
"Tb"
] |
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