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-1215329 | mp-1215329 | ZrAl2Zn | # generated using pymatgen
data_ZrAl2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10718300
_cell_length_b 4.10718300
_cell_length_c 4.04240200
_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_ZrAl2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10718300
_cell_length_b 4.10718300
_cell_length_c 4.04240200
_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
],
[
2.0212009999999996,
1.0523307994488735e-32,
2.0535915
],
[
2.0212009999999996,
2.0535915,
2.49509079615732e-16
],
[
4.042402,
2.0535915,
2.0535915000000005
]
] | [
[
4.042402,
0,
2.4752573350834294e-16
],
[
-2.5149242572312116e-16,
4.107183,
2.5149242572312116e-16
],
[
0,
0,
4.107183
]
] | [
40,
13,
13,
30
] | [
1,
1,
1
] | -0.477363 | 0 | 0 | 123 | 123 | [
"Al",
"Zn",
"Zr"
] |
mp-1221723 | mp-1221723 | Mn3CoAs2 | # generated using pymatgen
data_Mn3CoAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68928100
_cell_length_b 3.68928100
_cell_length_c 6.13688300
_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_Mn3CoAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68928100
_cell_length_b 3.68928100
_cell_length_c 6.13688300
_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
],
[
1.8446405,
0,
4.146231576875
],
[
-1.1295165419512866e-16,
1.8446405,
1.9906514231250003
],
[
1.8446404999999997,
1.8446405,
2.259033083902573e-16
],
[
1.8446405,
0,
1.6394130615030003
],
[
-1.1295165419512866e-16,
... | [
[
3.689281,
0,
2.259033083902573e-16
],
[
-2.259033083902573e-16,
3.689281,
2.259033083902573e-16
],
[
0,
0,
6.136883
]
] | [
25,
25,
25,
27,
33,
33
] | [
1,
1,
1
] | -0.160205 | 0 | 0.069191 | 115 | 115 | [
"As",
"Co",
"Mn"
] |
mp-752988 | mp-752988 | LiV3(OF2)4 | # generated using pymatgen
data_LiV3(OF2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43989700
_cell_length_b 5.83861701
_cell_length_c 6.97933513
_cell_angle_alpha 103.19034693
_cell_angle_beta 103.62793642
_cell_angle_gamma 92.78115490
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_LiV3(OF2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43989700
_cell_length_b 5.83861701
_cell_length_c 6.97933513
_cell_angle_alpha 103.19034693
_cell_angle_beta 103.62793642
_cell_angle_gamma 92.78115490
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0.8181790603174482,
2.5722645347718123,
3.4543136341681815
],
[
3.1629479017010977,
0.9640157072354149,
1.3430063158476633
],
[
1.233353180858892,
3.6068702164425637,
-0.11052377231990318
],
[
5.174452334152017,
0.08688822807968216,
5.49995017793003
],... | [
[
5.286743412068538,
0,
-1.281726751518794
],
[
-0.6145078583123271,
5.651266866971198,
-1.3322955677353658
],
[
0,
0,
6.97933513
]
] | [
3,
23,
23,
23,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.642109 | 1.8352 | 0.076197 | 1 | 1 | [
"F",
"Li",
"O",
"V"
] |
mp-1095140 | mp-1095140 | Er2CoGe2 | # generated using pymatgen
data_Er2CoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59746365
_cell_length_b 5.59746365
_cell_length_c 10.08524387
_cell_angle_alpha 64.09482412
_cell_angle_beta 64.09482412
_cell_angle_gamma 43.81419748
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Er2CoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.38654199
_cell_length_b 4.17685800
_cell_length_c 10.08524387
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.09180385
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.8256317286821173,
1.3681244778640371,
1.9812204849065536
],
[
2.215151508938099,
3.818684021449899,
8.85075123226894
],
[
5.383737014809123,
3.5257019565576515,
4.484854727023382
],
[
0.6570462228110939,
1.6611065427562839,
6.347116990152112
],
[
... | [
[
4.066599992157443,
0,
0.9533662618069445
],
[
1.9741832454627726,
5.186808499313936,
0.7288466353425168
],
[
0,
0,
9.149758820026033
]
] | [
68,
68,
68,
68,
27,
27,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.752839 | 0 | 0 | 12 | 12 | [
"Co",
"Er",
"Ge"
] |
mp-1079551 | mp-1079551 | BaGdCo2O5 | # generated using pymatgen
data_BaGdCo2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84485800
_cell_length_b 4.02327500
_cell_length_c 7.65935600
_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_BaGdCo2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84485800
_cell_length_b 4.02327500
_cell_length_c 7.65935600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9224289999999997,
2.0116375,
2.408920973428915e-16
],
[
1.9224289999999997,
2.0116375,
3.8296780000000004
],
[
0,
0,
1.9637286693480003
],
[
0,
0,
5.695627330652
],
[
0,
0,
0
],
[
-1.2317727127098918e-16,
2.0116375,
2.35... | [
[
3.844858,
0,
2.354296521438047e-16
],
[
-2.4635454254197837e-16,
4.023275,
2.4635454254197837e-16
],
[
0,
0,
7.659356
]
] | [
56,
64,
27,
27,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.345019 | 0 | 0.072272 | 47 | 47 | [
"Ba",
"Co",
"Gd",
"O"
] |
mp-861499 | mp-861499 | Pr2CuIr | # generated using pymatgen
data_Pr2CuIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08397896
_cell_length_b 5.08397896
_cell_length_c 5.08397896
_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_Pr2CuIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18983200
_cell_length_b 7.18983200
_cell_length_c 7.18983200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.40285493166559,
3.113288578761372,
7.62596844
],
[
1.4676183105551965,
1.0377628595871236,
2.5419894800000002
],
[
2.9352366211103935,
2.0755257191742484,
5.0839789600000005
],
[
0,
0,
0
]
] | [
[
4.40285493166559,
0,
2.5419894800000002
],
[
1.4676183105551968,
4.151051438348496,
2.5419894800000002
],
[
0,
0,
5.08397896
]
] | [
59,
59,
29,
77
] | [
1,
1,
1
] | -0.384201 | 0 | 0.06199 | 225 | 225 | [
"Pr",
"Cu",
"Ir"
] |
mp-27877 | mp-27877 | V2MoO8 | # generated using pymatgen
data_V2MoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.94040242
_cell_length_b 9.94040242
_cell_length_c 3.90943493
_cell_angle_alpha 89.86700247
_cell_angle_beta 89.86700247
_cell_angle_gamma 21.89791917
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V2MoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.51891000
_cell_length_b 3.77605000
_cell_length_c 3.90943493
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.13546341
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.004742780242735,
2.299773401973652,
5.591516886620818
],
[
0.704326480896889,
1.6096506014901875,
3.640758250169738
],
[
0.0008777821014887885,
1.95471200173192,
0.004537373667644463
],
[
1.8545346305698118,
1.95471200173192,
-0.35406364160472154
],
... | [
[
3.707313696936647,
0,
-0.7172020305447321
],
[
0.001755564202977577,
3.90942400346384,
0.009074747335288926
],
[
0,
0,
9.94040242
]
] | [
23,
23,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.104277 | 0.0879 | 0.052218 | 12 | 12 | [
"Mo",
"O",
"V"
] |
mvc-9383 | mvc-9383 | PrMg(FeO3)2 | # generated using pymatgen
data_PrMg(FeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31951600
_cell_length_b 5.48377400
_cell_length_c 7.69579800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_PrMg(FeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31951600
_cell_length_b 5.48377400
_cell_length_c 7.69579800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.05490804415199976,
3.875564050342,
2.4067200348300353e-16
],
[
2.7146660441520005,
1.608209949658,
3.8478990000000004
],
[
2.53679738766,
1.0488650016580001,
2.1955849839506696e-16
],
[
5.19655538766,
4.434908998342,
3.8478990000000004
],
[
5.3... | [
[
5.319516,
0,
3.257264121206566e-16
],
[
-3.357843138173739e-16,
5.483774,
3.357843138173739e-16
],
[
0,
0,
7.695798
]
] | [
59,
59,
12,
12,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.347748 | 0 | 0.075331 | 31 | 31 | [
"Fe",
"Mg",
"O",
"Pr"
] |
mp-1079678 | mp-1079678 | Cs2Pu(Cl2O)2 | # generated using pymatgen
data_Cs2Pu(Cl2O)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22529105
_cell_length_b 7.39526116
_cell_length_c 7.39526116
_cell_angle_alpha 118.39716257
_cell_angle_beta 91.99307065
_cell_angle_gamma 88.00692935
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Cs2Pu(Cl2O)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.70427800
_cell_length_b 7.57369600
_cell_length_c 6.22529105
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.32053095
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
4.552718255190124,
2.226470507515552,
3.8923581232331
],
[
1.8037675035858252,
4.277534503878812,
7.236453212270027
],
[
0,
0,
0
],
[
1.3584926235538355,
0.9398482361615194,
5.301150096056454
],
[
1.4256091483603748,
4.174315944347983,
3.... | [
[
6.221525000755626,
0,
0.2165070949941439
],
[
0.1349607580203229,
6.504005011394364,
3.5170430805089836
],
[
0,
0,
7.39526116
]
] | [
55,
55,
94,
17,
17,
17,
17,
8,
8
] | [
1,
1,
1
] | -2.493268 | 0.3705 | 0 | 12 | 12 | [
"Cl",
"Cs",
"O",
"Pu"
] |
mp-972420 | mp-972420 | YErAg2 | # generated using pymatgen
data_YErAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14234780
_cell_length_b 5.14234780
_cell_length_c 5.14234780
_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_YErAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27237800
_cell_length_b 7.27237800
_cell_length_c 7.27237800
_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
],
[
2.9689358865966797,
2.099354698320606,
5.1423478
],
[
1.4844679432983396,
1.0496773491603022,
2.571173899999999
],
[
4.45340382989502,
3.149032047480909,
7.713521699999999
]
] | [
[
4.45340382989502,
0,
2.5711738999999993
],
[
1.4844679432983396,
4.198709396641212,
2.5711739
],
[
0,
0,
5.1423478
]
] | [
39,
68,
47,
47
] | [
1,
1,
1
] | -0.337528 | 0 | 0.000588 | 225 | 225 | [
"Y",
"Er",
"Ag"
] |
mp-505198 | mp-505198 | CsCu4Se3 | # generated using pymatgen
data_CsCu4Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10694500
_cell_length_b 4.10694500
_cell_length_c 10.14811900
_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_CsCu4Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10694500
_cell_length_b 4.10694500
_cell_length_c 10.14811900
_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,
5.0740595
],
[
-1.2573892621310566e-16,
2.0534725,
1.536658623337
],
[
2.0534725,
0,
8.611460376663
],
[
2.0534725,
0,
1.536658623337
],
[
-1.2573892621310566e-16,
2.0534725,
8.611460376663
],
[
2.0534725,
2.0534725,
... | [
[
4.106945,
0,
2.514778524262113e-16
],
[
-2.514778524262113e-16,
4.106945,
2.514778524262113e-16
],
[
0,
0,
10.148119
]
] | [
55,
29,
29,
29,
29,
34,
34,
34
] | [
1,
1,
1
] | -0.535042 | 0 | 0.003787 | 123 | 123 | [
"Cs",
"Cu",
"Se"
] |
mp-1209963 | mp-1209963 | NaLaCuTe4 | # generated using pymatgen
data_NaLaCuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45723400
_cell_length_b 4.45723400
_cell_length_c 19.92707800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_NaLaCuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45723400
_cell_length_b 4.45723400
_cell_length_c 19.92707800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.3646343377876885e-16,
2.228617,
2.4765771079960004
],
[
2.228617,
0,
17.450500892004
],
[
-1.3646343377876885e-16,
2.228617,
12.106018718248
],
[
2.228617,
0,
7.821059281752
],
[
0,
0,
0
],
[
2.228617,
2.228617,
2.72926... | [
[
4.457234,
0,
2.729268675575377e-16
],
[
-2.729268675575377e-16,
4.457234,
2.729268675575377e-16
],
[
0,
0,
19.927078
]
] | [
11,
11,
57,
57,
29,
29,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.07614 | 0 | 0 | 129 | 129 | [
"Cu",
"La",
"Na",
"Te"
] |
mp-1183710 | mp-1183710 | Co | # generated using pymatgen
data_Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49420398
_cell_length_b 2.49420398
_cell_length_c 8.08593800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999940
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co
... | # generated using pymatgen
data_Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49420398
_cell_length_b 2.49420398
_cell_length_c 8.08593800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co
... | [
[
0,
0,
0
],
[
1.247102001309964,
0.7200146674568142,
6.064453500000001
],
[
0,
0,
4.042969
],
[
-3.8836356362740403e-16,
1.4400293349136288,
2.0214845000000006
]
] | [
[
2.4942040026199277,
0,
7.065504897756242e-16
],
[
-1.247102001309964,
2.160044002370443,
1.5272594602637944e-16
],
[
0,
0,
8.085938
]
] | [
27,
27,
27,
27
] | [
1,
1,
1
] | 0.005447 | 0 | 0.005447 | 194 | 194 | [
"Co"
] |
mp-978557 | mp-978557 | SmDyHg2 | # generated using pymatgen
data_SmDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32941714
_cell_length_b 5.32941714
_cell_length_c 5.32941714
_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_SmDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53693400
_cell_length_b 7.53693400
_cell_length_c 7.53693400
_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
],
[
3.0769404204028064,
2.1757254365738112,
5.329417140000001
],
[
4.615410630604209,
3.263588154860716,
7.994125710000001
],
[
1.5384702102014032,
1.0878627182869056,
2.6647085700000006
]
] | [
[
4.615410630604209,
0,
2.6647085700000006
],
[
1.538470210201403,
4.351450873147621,
2.6647085700000006
],
[
0,
0,
5.32941714
]
] | [
62,
66,
80,
80
] | [
1,
1,
1
] | -0.469946 | 0 | 0 | 225 | 225 | [
"Sm",
"Dy",
"Hg"
] |
mp-20536 | mp-20536 | CoSn | # generated using pymatgen
data_CoSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30857045
_cell_length_b 5.30857045
_cell_length_c 4.23740800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000564
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CoSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30857045
_cell_length_b 5.30857045
_cell_length_c 4.23740800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
4.237408,
3.204283196883283e-17,
2.6542852250000006
],
[
4.237408000000001,
2.2986783031003175,
3.9814280637740147
],
[
4.237408000000001,
2.2986783031003175,
1.3271428387740147
],
[
2.1187040000000006,
1.5324522020668785,
2.6542853758493434
],
[
... | [
[
4.237408,
0,
2.594664071940694e-16
],
[
1.7601295600304782e-15,
4.597356606200635,
-2.6542847724519714
],
[
0,
0,
5.30857045
]
] | [
27,
27,
27,
50,
50,
50
] | [
1,
1,
1
] | -0.108429 | 0 | 0 | 191 | 191 | [
"Co",
"Sn"
] |
mp-504818 | mp-504818 | MoPO5 | # generated using pymatgen
data_MoPO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28262800
_cell_length_b 6.28262800
_cell_length_c 4.63142600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MoPO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28262800
_cell_length_b 6.28262800
_cell_length_c 4.63142600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
3.6637821658200003,
3.1413139999999995,
4.166919618680695e-16
],
[
0.9676438341799997,
6.282628,
3.141314
],
[
2.315713,
0,
1.4179652565969575e-16
],
[
2.315713,
3.141314,
3.141314
],
[
3.2124265449899996,
1.2079860160719997,
0.3396137391... | [
[
4.631426,
0,
2.835930513193915e-16
],
[
-3.8470001352167685e-16,
6.282628,
3.8470001352167685e-16
],
[
0,
0,
6.282628
]
] | [
42,
42,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.343183 | 2.5038 | 0.013018 | 85 | 85 | [
"Mo",
"O",
"P"
] |
mp-1103470 | mp-1103470 | VNiP | # generated using pymatgen
data_VNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49161600
_cell_length_b 5.84785000
_cell_length_c 6.83813900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VN... | # generated using pymatgen
data_VNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49161600
_cell_length_b 5.84785000
_cell_length_c 6.83813900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VN... | [
[
2.618712,
2.7748749992,
4.534814449935
],
[
2.6187119999999995,
5.6987999992,
5.722394050065001
],
[
0.8729039999999998,
3.0729750007999996,
2.303324550065
],
[
0.872904,
0.1490500008,
1.115744949935
],
[
2.618712,
2.0709342076,
0.4551123... | [
[
3.491616,
0,
2.1379981791258424e-16
],
[
-3.580775392196925e-16,
5.84785,
3.580775392196925e-16
],
[
0,
0,
6.838139
]
] | [
23,
23,
23,
23,
28,
28,
28,
28,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.762717 | 0.0417 | 0 | 62 | 62 | [
"Ni",
"P",
"V"
] |
mp-12041 | mp-12041 | DySbPd | # generated using pymatgen
data_DySbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60416265
_cell_length_b 4.60416265
_cell_length_c 7.42788800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DySbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60416265
_cell_length_b 4.60416265
_cell_length_c 7.42788800
_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,
3.7454456730080006
],
[
0,
0,
0.03150167300800037
],
[
2.3020810024415637,
1.3291073347615545,
2.0600578858080008
],
[
4.957455925442416e-16,
2.6582146695231095,
5.774001885808001
],
[
4.957455925442416e-16,
2.6582146695231095,
1.25... | [
[
4.604162004883126,
0,
1.304252946486913e-15
],
[
-2.302081002441563,
3.987322004284664,
2.8192365260381477e-16
],
[
0,
0,
7.427888
]
] | [
66,
66,
51,
51,
46,
46
] | [
1,
1,
1
] | -1.076665 | 0 | 0.04804 | 186 | 186 | [
"Dy",
"Pd",
"Sb"
] |
mp-582799 | mp-582799 | EuAl4 | # generated using pymatgen
data_EuAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44031338
_cell_length_b 6.44031338
_cell_length_c 6.44031338
_cell_angle_alpha 140.34735462
_cell_angle_beta 140.34735462
_cell_angle_gamma 57.32626815
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36872400
_cell_length_b 4.36872400
_cell_length_c 11.30217001
_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
],
[
2.9487689237991517,
1.0187244969432658,
1.738415950439299
],
[
0.6267705813016337,
3.0561734908297984,
1.7384159507767623
],
[
2.1940046734224183,
2.5004185287673684,
-0.355004278266607
],
[
1.3815312561388617,
1.5744753841077075... | [
[
4.10976809504791,
0,
-1.4817407397294318
],
[
-0.5342285899471251,
4.074897987773064,
-1.4817407390545059
],
[
0,
0,
6.44031338
]
] | [
63,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.280895 | 0 | 0 | 139 | 139 | [
"Al",
"Eu"
] |
mp-1120779 | mp-1120779 | KInSe2 | # generated using pymatgen
data_KInSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22249043
_cell_length_b 7.22249043
_cell_length_c 7.22249043
_cell_angle_alpha 117.02835427
_cell_angle_beta 117.02835427
_cell_angle_gamma 95.22903489
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KInSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54443400
_cell_length_b 7.54443400
_cell_length_c 9.73758200
_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
],
[
0.20157232806521996,
4.472913132520354,
-0.3291189123681506
],
[
4.42348997768505,
2.981942088346903,
-2.796736300827607e-11
],
[
2.2117449888425247,
1.4909710441734514,
3.611245214986016
],
[
-0.7476407331296326,
5.2183986546070... | [
[
6.433662638462357,
0,
-3.2821263026738
],
[
-4.020345321554611,
5.963884176693807,
-0.6582378247083343
],
[
0,
0,
7.22249043
]
] | [
19,
19,
49,
49,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.113365 | 1.8512 | 0.026664 | 122 | 122 | [
"In",
"K",
"Se"
] |
mp-12899 | mp-12899 | HoSi | # generated using pymatgen
data_HoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65929119
_cell_length_b 5.65929119
_cell_length_c 3.81909500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.77394130
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_HoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26071000
_cell_length_b 10.48602200
_cell_length_c 3.81909500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | [
[
2.86432125,
3.3938022011911824,
2.693186341529688
],
[
0.9547737500000001,
0.5535029735124707,
1.3622246895458796
],
[
2.86432125,
2.2766635217827775,
-0.05620067816357094
],
[
0.9547737500000002,
1.6706416529208752,
4.111611709239138
]
] | [
[
3.819095,
0,
2.3385212336948304e-16
],
[
6.347750856626736e-16,
3.9473051747036525,
-1.6038801589244325
],
[
0,
0,
5.659291189999999
]
] | [
67,
67,
14,
14
] | [
1,
1,
1
] | -0.791789 | 0 | 0 | 63 | 63 | [
"Ho",
"Si"
] |
mp-1025179 | mp-1025179 | Rb2NpO4 | # generated using pymatgen
data_Rb2NpO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71557004
_cell_length_b 7.71557004
_cell_length_c 7.71557004
_cell_angle_alpha 147.08601008
_cell_angle_beta 147.08601008
_cell_angle_gamma 47.23644711
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb2NpO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37157400
_cell_length_b 4.37157400
_cell_length_c 14.13855600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3339886746313276,
1.4559454380250088,
4.515914498722022
],
[
2.4926594647565974,
2.7205449680936886,
0.7227602332176294
],
[
0,
0,
0
],
[
0.5217634738055436,
0.5694644668742844,
1.7663112746539718
],
[
3.304884665582382,
3.6070259392444135,... | [
[
4.192482157632708,
0,
-1.238447653876362
],
[
-0.3658340182447822,
4.176490406118698,
-1.2384476541839857
],
[
0,
0,
7.71557004
]
] | [
37,
37,
93,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.870747 | 0.366 | 0 | 139 | 139 | [
"Np",
"O",
"Rb"
] |
mp-753632 | mp-753632 | Li2CrS3 | # generated using pymatgen
data_Li2CrS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10232880
_cell_length_b 6.10232880
_cell_length_c 6.27679161
_cell_angle_alpha 80.56145410
_cell_angle_beta 80.56145410
_cell_angle_gamma 120.10765896
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2CrS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09239600
_cell_length_b 10.57527201
_cell_length_c 6.27679161
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.17860693
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.8771312607932584,
3.5974854566185215,
4.139114535427546
],
[
5.754262521586515,
1.6901505476888015,
5.139833265855092
],
[
5.754262521586516,
5.287636004307323,
5.139833265855092
],
[
0,
0,
0
],
[
5.754262521586516,
3.5192284437547734,
... | [
[
5.754262521586515,
0,
2.001437460855092
],
[
2.8771312607932584,
5.287636004307323,
1.0007187304275462
],
[
0,
0,
6.27679161
]
] | [
3,
3,
3,
3,
24,
24,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.177849 | 0 | 0.054601 | 12 | 12 | [
"Cr",
"Li",
"S"
] |
mp-11584 | mp-11584 | Lu8Te | # generated using pymatgen
data_Lu8Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.03426749
_cell_length_b 9.03426749
_cell_length_c 3.69257600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999624
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Lu8Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.03426749
_cell_length_b 9.03426749
_cell_length_c 3.69257600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
8.322579151954152e-16,
2.1738095373048307,
-1.2550496166331888
],
[
5.006206736409072e-32,
7.335867142348237e-17,
2.510098947956579
],
[
1.846288000000001,
3.0228754042630115,
1.7452576638788622
],
[
1.8462880000000017,
4.801030043094951,
-2.771876197811... | [
[
3.692576,
0,
2.2610506895041686e-16
],
[
2.9954359499118743e-15,
7.823905447357961,
-4.51713425843893
],
[
0,
0,
9.03426749
]
] | [
71,
71,
71,
71,
71,
71,
71,
71,
52
] | [
1,
1,
1
] | -0.327294 | 0 | 0 | 189 | 189 | [
"Lu",
"Te"
] |
mp-980064 | mp-980064 | YbErHg2 | # generated using pymatgen
data_YbErHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24641978
_cell_length_b 5.24641978
_cell_length_c 5.24641978
_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_YbErHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41955801
_cell_length_b 7.41955801
_cell_length_c 7.41955801
_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
],
[
3.0290218722647775,
2.1418419062407965,
5.24641978
],
[
4.543532808397166,
3.2127628593611948,
7.869629670000001
],
[
1.5145109361323885,
1.0709209531203978,
2.6232098899999987
]
] | [
[
4.543532808397166,
0,
2.6232098900000005
],
[
1.5145109361323887,
4.283683812481593,
2.6232098900000005
],
[
0,
0,
5.24641978
]
] | [
70,
68,
80,
80
] | [
1,
1,
1
] | -0.56349 | 0 | 0 | 225 | 225 | [
"Yb",
"Er",
"Hg"
] |
mp-1189595 | mp-1189595 | Dy(CoB)4 | # generated using pymatgen
data_Dy(CoB)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00192500
_cell_length_b 5.00192500
_cell_length_c 6.98040600
_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_Dy(CoB)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00192500
_cell_length_b 5.00192500
_cell_length_c 6.98040600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.75144375,
1.25048125,
1.7451015000000003
],
[
1.2504812499999998,
3.75144375,
5.235304500000001
],
[
0.02074798489999977,
3.75144375,
0.7838158289280003
],
[
2.4802145150999997,
3.75144375,
0.7838158289280004
],
[
3.75144375,
0.0207479849,
... | [
[
5.001925,
0,
3.0627957204125623e-16
],
[
-3.0627957204125623e-16,
5.001925,
3.0627957204125623e-16
],
[
0,
0,
6.980406
]
] | [
66,
66,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.504867 | 0 | 0 | 137 | 137 | [
"B",
"Co",
"Dy"
] |
mp-1219546 | mp-1219546 | ReSeS | # generated using pymatgen
data_ReSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51387244
_cell_length_b 7.06851004
_cell_length_c 6.72713518
_cell_angle_alpha 92.73000900
_cell_angle_beta 119.94942342
_cell_angle_gamma 103.32068285
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ReSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51387244
_cell_length_b 6.62813667
_cell_length_c 7.06851004
_cell_angle_alpha 74.05168601
_cell_angle_beta 76.67931715
_cell_angle_gamma 61.57104017
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... | [
[
3.660298518536848,
1.8037512200186585,
4.830686148964544
],
[
5.489803187519094,
3.915598066767184,
5.5598405353828335
],
[
0.8638033259469277,
1.6353678576663966,
4.081975120642043
],
[
8.286298380109013,
4.083981429119446,
6.308551563705335
],
[
... | [
[
6.338621686001765,
0,
1.500802880574164
],
[
2.8114800200541774,
5.7193492867858415,
1.8212137637732142
],
[
0,
0,
7.06851004
]
] | [
75,
75,
75,
75,
34,
34,
34,
34,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.79574 | 1.3534 | 0.013358 | 2 | 2 | [
"Re",
"S",
"Se"
] |
mp-862955 | mp-862955 | PmSbRh2 | # generated using pymatgen
data_PmSbRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78500007
_cell_length_b 4.78500007
_cell_length_c 4.78500007
_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_PmSbRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76701199
_cell_length_b 6.76701199
_cell_length_c 6.76701199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7626210784868785,
1.953468098446964,
4.785000070000001
],
[
0,
0,
0
],
[
4.143931617730317,
2.930202147670447,
7.177500105
],
[
1.3813105392434386,
0.9767340492234815,
2.3925000349999994
]
] | [
[
4.143931617730317,
0,
2.3925000350000003
],
[
1.381310539243439,
3.9069361968939296,
2.3925000350000003
],
[
0,
0,
4.78500007
]
] | [
61,
51,
45,
45
] | [
1,
1,
1
] | -0.624554 | 0 | 0 | 225 | 225 | [
"Pm",
"Rh",
"Sb"
] |
mp-861979 | mp-861979 | Ir2S3 | # generated using pymatgen
data_Ir2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34019515
_cell_length_b 6.34019515
_cell_length_c 6.34019545
_cell_angle_alpha 56.76615704
_cell_angle_beta 56.76615704
_cell_angle_gamma 56.76615610
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | # generated using pymatgen
data_Ir2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02780611
_cell_length_b 6.02780611
_cell_length_c 15.89903586
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.1158028559805135,
4.224214271798856,
7.70165675015277
],
[
4.655223023929092,
3.2153847988834765,
4.064655088974827
],
[
2.5254608960106455,
1.7443479149047454,
8.00634977044357
],
[
1.0648810639592232,
0.7355184419893657,
4.369348109265629
],
[
... | [
[
5.303197508722913,
0,
2.8654047047091993
],
[
1.8774864112168244,
4.959732713788221,
2.8654047047091993
],
[
0,
0,
6.34019545
]
] | [
77,
77,
77,
77,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.667377 | 1.145 | 0 | 167 | 167 | [
"Ir",
"S"
] |
mp-1207475 | mp-1207475 | YbZnRh | # generated using pymatgen
data_YbZnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09787200
_cell_length_b 6.89655000
_cell_length_c 7.82247600
_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_YbZnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09787200
_cell_length_b 6.89655000
_cell_length_c 7.82247600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0244679999999997,
3.62881978245,
1.4103533104200003
],
[
3.073404,
3.26773021755,
6.41212268958
],
[
3.0734039999999996,
6.716005217550001,
5.3215913104200006
],
[
1.024468,
0.18054478245000002,
2.5008846895800003
],
[
1.0244679999999997,
4... | [
[
4.097872,
0,
2.509222914057781e-16
],
[
-4.2229189413298394e-16,
6.89655,
4.2229189413298394e-16
],
[
0,
0,
7.822476
]
] | [
70,
70,
70,
70,
30,
30,
30,
30,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.602649 | 0 | 0 | 62 | 62 | [
"Rh",
"Yb",
"Zn"
] |
mp-636498 | mp-636498 | In3Ir | # generated using pymatgen
data_In3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47108900
_cell_length_b 7.57001700
_cell_length_c 8.37780600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | # generated using pymatgen
data_In3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47108900
_cell_length_b 7.57001700
_cell_length_c 8.37780600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | [
[
3.483354828876,
2.4935787398339997,
4.6575826010579995
],
[
0.5209953922029998,
3.631549115376,
6.2833545
],
[
4.723278671124,
6.278587239834,
7.909126398942001
],
[
4.950093607797,
3.9384678846239995,
2.0944515000000004
],
[
0.7478103288759999,
... | [
[
5.471089,
0,
3.3500758158501467e-16
],
[
-4.635298544270525e-16,
7.570017,
4.635298544270525e-16
],
[
0,
0,
8.377806
]
] | [
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.158679 | 0 | 0 | 62 | 62 | [
"In",
"Ir"
] |
mp-1208920 | mp-1208920 | Sm2CoPtO6 | # generated using pymatgen
data_Sm2CoPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84000800
_cell_length_b 5.42694300
_cell_length_c 9.49290745
_cell_angle_alpha 55.11193442
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sm2CoPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42694300
_cell_length_b 5.84000800
_cell_length_c 9.49290745
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.88806558
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.30340916262379,
2.50431223056,
1.949136984188347
],
[
0.12353349573215547,
3.33569576944,
5.835694847984381
],
[
2.8370048249101294,
5.42431623056,
1.9413532721470077
],
[
2.5899378334458167,
0.41569176943999997,
5.84347856002572
],
[
-3.575973... | [
[
5.426942658355946,
0,
-0.001925659751008181
],
[
-3.575973552097468e-16,
5.840008,
3.575973552097468e-16
],
[
0,
0,
7.786757491923736
]
] | [
62,
62,
62,
62,
27,
27,
78,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.53337 | 1.7723 | 0.005007 | 14 | 14 | [
"Co",
"O",
"Pt",
"Sm"
] |
mp-777463 | mp-777463 | Li2FeF6 | # generated using pymatgen
data_Li2FeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01292205
_cell_length_b 5.01292205
_cell_length_c 4.48559068
_cell_angle_alpha 88.44282946
_cell_angle_beta 88.44282946
_cell_angle_gamma 120.31668006
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2FeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98890800
_cell_length_b 8.69645600
_cell_length_c 4.48559068
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.13050404
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3070977045190126,
1.372902520233763,
2.6779908745245273
],
[
2.3818979918483993,
2.9496342624552256,
4.939328935671735
],
[
0,
0,
0
],
[
1.2721681976778922,
2.941486280619857,
3.2777241334950435
],
[
3.4168274986895204,
1.381050502069132,
... | [
[
4.483934185471816,
0,
0.12189326831313332
],
[
0.2050615108955961,
4.322536782688989,
2.482504491883129
],
[
0,
0,
5.01292205
]
] | [
3,
3,
26,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.610322 | 0.2947 | 0.023343 | 12 | 12 | [
"Li",
"Fe",
"F"
] |
mp-865410 | mp-865410 | LuThRu2 | # generated using pymatgen
data_LuThRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87811189
_cell_length_b 4.87811189
_cell_length_c 4.87811189
_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_LuThRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89869199
_cell_length_b 6.89869199
_cell_length_c 6.89869199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8163792128286125,
1.991480839783944,
4.87811189
],
[
0,
0,
0
],
[
4.224568819242919,
2.9872212596759153,
7.317167834999999
],
[
1.4081896064143067,
0.995740419891972,
2.4390559450000007
]
] | [
[
4.22456881924292,
0,
2.4390559450000002
],
[
1.4081896064143056,
3.9829616795678864,
2.439055945
],
[
0,
0,
4.878111889999999
]
] | [
71,
90,
44,
44
] | [
1,
1,
1
] | -0.505541 | 0 | 0 | 225 | 225 | [
"Lu",
"Ru",
"Th"
] |
mp-1018815 | mp-1018815 | NdSbPd | # generated using pymatgen
data_NdSbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61827211
_cell_length_b 4.61827211
_cell_length_c 8.02159000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000157
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdSbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61827211
_cell_length_b 4.61827211
_cell_length_c 8.02159000
_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,
4.010795
],
[
0,
0,
0
],
[
2.3091360002029506,
1.3331803334954178,
2.005397500000001
],
[
5.692382861223607e-16,
2.6663606669908355,
6.016192500000001
],
[
2.3091360002029506,
1.3331803334954178,
6.016192500000001
],
[
5.692... | [
[
4.618272000405901,
0,
1.3082499829109089e-15
],
[
-2.3091360002029497,
3.999541000486253,
2.8278760785514966e-16
],
[
0,
0,
8.02159
]
] | [
60,
60,
51,
51,
46,
46
] | [
1,
1,
1
] | -1.065286 | 0 | 0 | 194 | 194 | [
"Nd",
"Pd",
"Sb"
] |
mvc-7329 | mvc-7329 | Ca(SbO2)2 | # generated using pymatgen
data_Ca(SbO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09226839
_cell_length_b 7.09226839
_cell_length_c 11.35026729
_cell_angle_alpha 64.50899895
_cell_angle_beta 64.50899895
_cell_angle_gamma 28.30404752
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ca(SbO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.75404200
_cell_length_b 3.46805600
_cell_length_c 11.35026729
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.34912568
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
3.677885436068543,
5.234108002433964,
9.518625106560116
],
[
1.2500221998587624,
1.5331491847956091,
3.0294583234027073
],
[
1.8404889935324473,
2.3811609501845314,
9.990327414552015
],
[
4.25991722233343,
5.516126678454572,
6.049309245853689
],
[
... | [
[
3.420257913021678,
0,
0.5738015512364641
],
[
1.5076497229056274,
6.767257187229574,
1.4938183928126838
],
[
0,
0,
10.480463485913676
]
] | [
20,
20,
51,
51,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.17638 | 2.144 | 0.070655 | 12 | 12 | [
"Ca",
"O",
"Sb"
] |
mp-1219274 | mp-1219274 | ScNb(NiSn)2 | # generated using pymatgen
data_ScNb(NiSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45148305
_cell_length_b 7.45148305
_cell_length_c 7.45148367
_cell_angle_alpha 33.39818528
_cell_angle_beta 33.39818528
_cell_angle_gamma 33.39818503
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_ScNb(NiSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28229810
_cell_length_b 4.28229810
_cell_length_c 21.08808176
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.963872377821536,
3.650014734365146,
2.4746847994642147
],
[
2.9924637027147427,
1.8314504259984585,
4.927992183805684
],
[
0.7674103996742916,
0.4696712284677312,
4.893424347705886
],
[
3.706168265245063,
2.2682525579332227,
2.5489540442138807
],
[... | [
[
4.1017008699079405,
0,
1.2304990519323957
],
[
1.8662774770162793,
3.652527673404448,
1.2304990519323957
],
[
0,
0,
7.45148367
]
] | [
21,
41,
28,
28,
50,
50
] | [
1,
1,
1
] | -0.525533 | 0.4356 | 0 | 160 | 160 | [
"Nb",
"Ni",
"Sc",
"Sn"
] |
mp-1018701 | mp-1018701 | EuSnHg | # generated using pymatgen
data_EuSnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98467459
_cell_length_b 4.98467459
_cell_length_c 7.87916100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000789
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuSnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98467459
_cell_length_b 4.98467459
_cell_length_c 7.87916100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
1.9621632221520002
],
[
0,
0,
5.901743722151999
],
[
-3.3249973128668817e-16,
2.8779033307628454,
0.28037206502400114
],
[
2.492336997770557,
1.4389516653814227,
4.219952565024001
],
[
-3.3249973128668817e-16,
2.8779033307628454,
3.... | [
[
4.984673995541114,
0,
1.4120432206916277e-15
],
[
-2.4923369977705567,
4.316854996144268,
3.052232890717323e-16
],
[
0,
0,
7.879161
]
] | [
63,
63,
50,
50,
80,
80
] | [
1,
1,
1
] | -0.556595 | 0 | 0 | 186 | 186 | [
"Eu",
"Hg",
"Sn"
] |
mp-1209847 | mp-1209847 | NdNiAs | # generated using pymatgen
data_NdNiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13192833
_cell_length_b 4.13192833
_cell_length_c 16.20961700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000534
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdNiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13192833
_cell_length_b 4.13192833
_cell_length_c 16.20961700
_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,
12.157212750000001
],
[
0,
0,
4.05240425
],
[
0,
0,
0
],
[
0,
0,
8.1048085
],
[
2.065963998247618,
1.1927849988903796,
14.135888277956003
],
[
2.911771565899859e-16,
2.3855699977807596,
2.0737287220440015
],
[
... | [
[
4.131927996495235,
0,
1.170479939321222e-15
],
[
-2.065963998247617,
3.578354996671139,
2.5300764018203845e-16
],
[
0,
0,
16.209617
]
] | [
60,
60,
60,
60,
28,
28,
28,
28,
33,
33,
33,
33
] | [
1,
1,
1
] | -1.026899 | 0 | 0 | 194 | 194 | [
"As",
"Nd",
"Ni"
] |
mp-401 | mp-401 | Sc2S3 | # generated using pymatgen
data_Sc2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.24841330
_cell_length_b 11.68698948
_cell_length_c 6.41115254
_cell_angle_alpha 79.36144975
_cell_angle_beta 69.67917477
_cell_angle_gamma 30.95937548
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sc2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43841000
_cell_length_b 10.44421200
_cell_length_c 22.15881200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.5204575538003405,
3.895297781760947,
2.9060765158874213
],
[
0.13842931950353735,
4.871169197240781,
6.413753165946432
],
[
0.32944343665193904,
0.48793570773991696,
1.7538383250295055
],
[
3.6165067681886884,
5.356375611594569,
7.565991357129648
],... | [
[
6.300953541557743,
0,
-1.1835798985951218
],
[
-2.355003336717116,
5.8443113193344844,
-1.1835798992457227
],
[
0,
0,
11.68698948
]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.214641 | 1.0676 | 0 | 70 | 70 | [
"Sc",
"S"
] |
mp-675230 | mp-675230 | NaLaS2 | # generated using pymatgen
data_NaLaS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37932201
_cell_length_b 7.37932201
_cell_length_c 7.37932201
_cell_angle_alpha 133.71886674
_cell_angle_beta 133.71886674
_cell_angle_gamma 67.52744320
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaLaS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79997400
_cell_length_b 5.79997400
_cell_length_c 12.26940000
_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
],
[
3.7564659471947732,
1.3109032862680807,
1.4103392470791283
],
[
0.6027412445864974,
3.9327098588042424,
1.4103392477546333
],
[
2.1796035958906357,
2.6218065725361615,
-2.2793217575831197
],
[
1.627102624168795,
5.164896024538497... | [
[
5.333328298498911,
0,
-2.2793217582586243
],
[
-0.9741211067176409,
5.243613145072324,
-2.279321756907615
],
[
0,
0,
7.379322010000001
]
] | [
11,
11,
57,
57,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.099037 | 2.5115 | 0.002346 | 141 | 141 | [
"La",
"Na",
"S"
] |
mp-1206614 | mp-1206614 | Dy2Co2I | # generated using pymatgen
data_Dy2Co2I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94001828
_cell_length_b 3.94001828
_cell_length_c 16.90658500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000466
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Dy2Co2I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94001828
_cell_length_b 3.94001828
_cell_length_c 16.90658500
_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,
15.155282579605
],
[
0,
0,
1.7513024203949996
],
[
0,
0,
6.701990079605
],
[
0,
0,
10.204594920395
],
[
1.97000900124068,
1.1373853339892652,
8.420443005345
],
[
-3.678545617181121e-16,
2.2747706679785304,
8.48614199... | [
[
3.94001800248136,
0,
1.1161162625245718e-15
],
[
-1.9700090012406803,
3.4121560019677952,
2.41256538759203e-16
],
[
0,
0,
16.906585
]
] | [
66,
66,
66,
66,
27,
27,
27,
27,
53,
53
] | [
1,
1,
1
] | -0.675054 | 0 | 0 | 194 | 194 | [
"Co",
"Dy",
"I"
] |
mp-1104212 | mp-1104212 | La2Te5 | # generated using pymatgen
data_La2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 22.80714454
_cell_length_b 22.80714454
_cell_length_c 4.47844700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 168.72118220
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48239800
_cell_length_b 45.39351800
_cell_length_c 4.47844700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3588352500000003,
0.43722922585977175,
4.427847042010256
],
[
1.1196117500000016,
4.023474174125655,
17.93882386015599
],
[
3.3588352500000007,
1.3700202959409238,
13.874279110567961
],
[
1.1196117500000011,
3.090683104044502,
8.492391791598283
],
... | [
[
4.478447,
0,
2.7422578918505333e-16
],
[
1.7078109412381224e-15,
4.460703399985427,
-0.4404736378337511
],
[
0,
0,
22.807144539999996
]
] | [
57,
57,
57,
57,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.490297 | 0 | 0.030574 | 63 | 63 | [
"La",
"Te"
] |
mp-865608 | mp-865608 | LuPaOs2 | # generated using pymatgen
data_LuPaOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82698666
_cell_length_b 4.82698666
_cell_length_c 4.82698666
_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_LuPaOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82639000
_cell_length_b 6.82639000
_cell_length_c 6.82639000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7868620475257333,
1.9706090520368706,
4.826986659999999
],
[
0,
0,
0
],
[
4.180293071288599,
2.955913578055307,
7.24047999
],
[
1.393431023762866,
0.9853045260184349,
2.4134933300000005
]
] | [
[
4.180293071288599,
0,
2.4134933300000005
],
[
1.3934310237628662,
3.941218104073743,
2.41349333
],
[
0,
0,
4.826986659999999
]
] | [
71,
91,
76,
76
] | [
1,
1,
1
] | -0.29896 | 0 | 0 | 225 | 225 | [
"Lu",
"Pa",
"Os"
] |
mp-1025520 | mp-1025520 | BaIn2Pd | # generated using pymatgen
data_BaIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35602222
_cell_length_b 6.35602222
_cell_length_c 8.16263800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.29653117
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62835800
_cell_length_b 11.83952601
_cell_length_c 8.16263800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2283793046324498e-15,
5.314301482506098,
6.121978500000001
],
[
2.3141790013760395,
0.6054615204125096,
2.0406595000000007
],
[
6.685133789472784e-16,
1.9589324543478082,
7.697522724122
],
[
2.314179001376041,
3.960830548570799,
0.4651152758780009
],... | [
[
4.628358002752079,
0,
1.311107114841611e-15
],
[
-2.314179001376038,
5.919763002918607,
3.891941133516227e-16
],
[
0,
0,
8.162638
]
] | [
56,
56,
49,
49,
49,
49,
46,
46
] | [
1,
1,
1
] | -0.569976 | 0 | 0 | 63 | 63 | [
"Ba",
"In",
"Pd"
] |
mp-757100 | mp-757100 | LiCoS2 | # generated using pymatgen
data_LiCoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51510519
_cell_length_b 6.51510519
_cell_length_c 6.51510549
_cell_angle_alpha 30.41569294
_cell_angle_beta 30.41569294
_cell_angle_gamma 30.41569164
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiCoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41810211
_cell_length_b 3.41810211
_cell_length_c 18.62710674
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.126174158471902,
2.4996787223389165,
4.3666886215527265
],
[
4.819289148024578,
2.9195749082431557,
1.8169817796833403
],
[
3.5013191409807374,
2.12113512922315,
6.665292947368653
],
[
1.2920751318171124,
0.7827523974079195,
1.7620517349087381
]
] | [
[
3.298402187277637,
0,
0.8966414073767922
],
[
1.5273293122988754,
2.9234777510407945,
0.8966414073767922
],
[
0,
0,
6.51510549
]
] | [
3,
27,
16,
16
] | [
1,
1,
1
] | -0.96208 | 0.714 | 0.049205 | 160 | 160 | [
"Li",
"Co",
"S"
] |
mp-867201 | mp-867201 | CaInHg2 | # generated using pymatgen
data_CaInHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24936700
_cell_length_b 5.24936700
_cell_length_c 5.24936700
_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_CaInHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42372601
_cell_length_b 7.42372601
_cell_length_c 7.42372601
_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
],
[
3.0307234505251386,
2.1430451037674167,
5.2493669999999995
],
[
1.5153617252625686,
1.071522551883708,
2.624683499999998
],
[
4.546085175787708,
3.214567655651126,
7.8740505
]
] | [
[
4.546085175787708,
0,
2.6246834999999997
],
[
1.5153617252625684,
4.286090207534835,
2.6246834999999997
],
[
0,
0,
5.249367
]
] | [
20,
49,
80,
80
] | [
1,
1,
1
] | -0.388914 | 0 | 0 | 225 | 225 | [
"Ca",
"Hg",
"In"
] |
mp-1077423 | mp-1077423 | TmAlZn | # generated using pymatgen
data_TmAlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48754478
_cell_length_b 4.48754478
_cell_length_c 6.87932200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001143
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmAlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48754478
_cell_length_b 4.48754478
_cell_length_c 6.87932200
_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,
3.439661
],
[
0,
0,
0
],
[
2.243772002356022,
1.2954426679688595,
5.1594915000000015
],
[
3.3214497853665967e-16,
2.590885335937719,
1.7198304999999998
],
[
2.243772002356022,
1.2954426679688595,
1.7198305000000003
],
[
3.32... | [
[
4.487544004712044,
0,
1.2712177556801537e-15
],
[
-2.243772002356023,
3.8863280039065793,
2.7478286754287067e-16
],
[
0,
0,
6.879322
]
] | [
69,
69,
13,
13,
30,
30
] | [
1,
1,
1
] | -0.444363 | 0 | 0 | 194 | 194 | [
"Al",
"Tm",
"Zn"
] |
mp-28038 | mp-28038 | NbTeBr3 | # generated using pymatgen
data_NbTeBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61631400
_cell_length_b 7.03928100
_cell_length_c 12.81756575
_cell_angle_alpha 81.97908313
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbTeBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.03928100
_cell_length_b 7.61631400
_cell_length_c 12.81756575
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.02091687
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.4785121626159424,
2.757098051686,
8.241981329190478
],
[
6.491904924536712,
2.757098051686,
10.002143987141219
],
[
6.491904924536712,
4.859215948314001,
3.593361112141217
],
[
0.4785121626159423,
4.859215948314001,
1.8331984541904807
],
[
5.72... | [
[
6.970417087152653,
0,
-0.9822233086683027
],
[
-4.663647280700587e-16,
7.616314,
4.663647280700587e-16
],
[
0,
0,
12.81756575
]
] | [
41,
41,
41,
41,
52,
52,
52,
52,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.175179 | 0.6276 | 0 | 13 | 13 | [
"Br",
"Nb",
"Te"
] |
mp-1218511 | mp-1218511 | SrCaYRuO6 | # generated using pymatgen
data_SrCaYRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70462025
_cell_length_b 5.87041000
_cell_length_c 8.16378109
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.28474230
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrCaYRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70462025
_cell_length_b 5.87041000
_cell_length_c 9.93615248
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.75332806
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.797990406206441,
3.1826545223199996,
2.026476710354362
],
[
5.6502653083504875,
5.6229604776799995,
6.094192214730787
],
[
2.9260461402131006,
2.62186599584,
6.139561435200436
],
[
0.07377123806905361,
0.31333900416,
2.071845930824012
],
[
5.70... | [
[
5.704549804288093,
0,
-0.028350081247151673
],
[
-3.5945894080913066e-16,
5.87041,
3.5945894080913066e-16
],
[
0,
0,
8.16378109
]
] | [
38,
38,
20,
20,
39,
39,
44,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.841935 | 0.3199 | 0.008759 | 7 | 7 | [
"Ca",
"O",
"Ru",
"Sr",
"Y"
] |
mp-1025262 | mp-1025262 | Sm2Fe2Si2C | # generated using pymatgen
data_Sm2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71307106
_cell_length_b 5.71307106
_cell_length_c 6.88657994
_cell_angle_alpha 53.72743626
_cell_angle_beta 53.72743626
_cell_angle_gamma 40.74423946
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sm2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.71145401
_cell_length_b 3.97762200
_cell_length_c 6.88657994
_cell_angle_alpha 90.00000000
_cell_angle_beta 129.13144749
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.899303031216611,
4.32423897619589,
3.6523462604046837
],
[
2.36225701195348,
0.9383258300904714,
5.120381306884263
],
[
3.4610865078751765,
1.6055401090554873,
2.1166904642785007
],
[
1.800473535294914,
3.6570246972308738,
6.656037103010447
],
[
... | [
[
3.7355085383756164,
0,
1.366547750524675
],
[
1.5260515047944743,
5.26256480628636,
1.6173309497317645
],
[
0,
0,
5.788848867032509
]
] | [
62,
62,
26,
26,
14,
14,
6
] | [
1,
1,
1
] | -0.619167 | 0 | 0 | 12 | 12 | [
"Sm",
"Fe",
"Si",
"C"
] |
mp-1078968 | mp-1078968 | LaCoSb2 | # generated using pymatgen
data_LaCoSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39854700
_cell_length_b 4.39854700
_cell_length_c 10.03520700
_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_LaCoSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39854700
_cell_length_b 4.39854700
_cell_length_c 10.03520700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.3466666261122982e-16,
2.1992735,
7.466304395277
],
[
2.1992735,
0,
2.568902604723
],
[
2.1992735,
2.1992735,
5.0176035
],
[
0,
0,
5.0176035
],
[
2.1992735,
2.1992735,
2.6933332522245964e-16
],
[
0,
0,
0
],
[
-1.... | [
[
4.398547,
0,
2.6933332522245964e-16
],
[
-2.6933332522245964e-16,
4.398547,
2.6933332522245964e-16
],
[
0,
0,
10.035207
]
] | [
57,
57,
27,
27,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.770427 | 0 | 0.039963 | 129 | 129 | [
"Co",
"La",
"Sb"
] |
mp-1219520 | mp-1219520 | Sc(CuS)3 | # generated using pymatgen
data_Sc(CuS)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22330834
_cell_length_b 7.22330834
_cell_length_c 7.22330816
_cell_angle_alpha 54.08983888
_cell_angle_beta 54.08983888
_cell_angle_gamma 54.08983636
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sc(CuS)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56871610
_cell_length_b 6.56871610
_cell_length_c 18.44292677
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.342175595245158,
3.62397397283022,
3.9822962856619295
],
[
2.6715258560213897,
1.8122841522808821,
9.213598228588149
],
[
5.067875294940425,
4.767402992789666,
6.900726681639551
],
[
2.4147762470263063,
2.9463941231691946,
4.915637602607219
],
[
... | [
[
5.850429291851754,
0,
2.986722214246447
],
[
2.1628341010159824,
5.43596095924533,
2.986722214246447
],
[
0,
0,
7.22330816
]
] | [
21,
21,
29,
29,
29,
29,
29,
29,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.001235 | 1.0845 | 0.005782 | 148 | 148 | [
"Cu",
"S",
"Sc"
] |
mp-1103969 | mp-1103969 | NaCr5Se8 | # generated using pymatgen
data_NaCr5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.63815823
_cell_length_b 9.63815823
_cell_length_c 9.00421713
_cell_angle_alpha 75.17434445
_cell_angle_beta 75.17434445
_cell_angle_gamma 22.09023700
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaCr5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.91925399
_cell_length_b 3.69299400
_cell_length_c 9.00421713
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.11206700
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.587427218034679,
4.346415498097277,
-1.5057489312863899
],
[
0,
0,
0
],
[
1.9446764612112692,
8.504587740971958,
0.3244433661372513
],
[
1.2301779748580883,
0.18824325522259341,
6.30221700128997
],
[
2.4015735950227617,
2.9156189802786336,
... | [
[
3.624587279733504,
0,
-0.7075109344166169
],
[
-0.449732843664146,
8.692830996194552,
-2.3039869281561622
],
[
0,
0,
9.63815823
]
] | [
11,
24,
24,
24,
24,
24,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.862975 | 0 | 0.014077 | 12 | 12 | [
"Cr",
"Na",
"Se"
] |
mp-1226076 | mp-1226076 | CoNi | # generated using pymatgen
data_CoNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31775533
_cell_length_b 4.31775533
_cell_length_c 4.31775500
_cell_angle_alpha 33.36388450
_cell_angle_beta 33.36388450
_cell_angle_gamma 33.36388630
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co... | # generated using pymatgen
data_CoNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47889789
_cell_length_b 2.47889789
_cell_length_c 12.22097736
_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
],
[
1.7276157034131818,
1.0572066325980043,
2.8704662001539614
]
] | [
[
2.3745685308278923,
0,
0.7115887001539613
],
[
1.0806628759984716,
2.114413265196009,
0.7115887001539614
],
[
0,
0,
4.317755
]
] | [
27,
28
] | [
1,
1,
1
] | 0.006304 | 0 | 0.023496 | 166 | 166 | [
"Co",
"Ni"
] |
mp-867921 | mp-867921 | Sm2ZnRu | # generated using pymatgen
data_Sm2ZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02413086
_cell_length_b 5.02413086
_cell_length_c 5.02413086
_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_Sm2ZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10519400
_cell_length_b 7.10519400
_cell_length_c 7.10519400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.35102495669736,
3.076639251992607,
7.5361962899999995
],
[
1.4503416522324537,
1.0255464173308697,
2.5120654300000007
],
[
0,
0,
0
],
[
2.900683304464907,
2.0510928346617385,
5.02413086
]
] | [
[
4.351024956697359,
0,
2.5120654299999994
],
[
1.4503416522324541,
4.102185669323475,
2.5120654299999994
],
[
0,
0,
5.02413086
]
] | [
62,
62,
30,
44
] | [
1,
1,
1
] | -0.277128 | 0 | 0.023049 | 225 | 225 | [
"Sm",
"Zn",
"Ru"
] |
mp-34730 | mp-34730 | Zn(FeO2)2 | # generated using pymatgen
data_Zn(FeO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04578748
_cell_length_b 6.04578748
_cell_length_c 6.04578807
_cell_angle_alpha 60.10429844
_cell_angle_beta 60.10429844
_cell_angle_gamma 60.10429872
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Zn(FeO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05531614
_cell_length_b 6.05531614
_cell_length_c 14.79741110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.02149897215706091,
0.015214072394562468,
0.03715916587766823
],
[
4.369460041644286,
3.0921144003105736,
7.55224432578189
],
[
1.7210492974152307,
1.2179265322173336,
2.9746890157859966
],
[
3.49073351703342,
0.5869082982644381,
6.033439461007175
],
... | [
[
5.241299593832078,
0,
3.013357732002696
],
[
1.7434217047581544,
4.942843532996213,
3.0133577320026963
],
[
0,
0,
6.04578807
]
] | [
30,
30,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.681053 | 1.6344 | 0.063977 | 160 | 160 | [
"Fe",
"O",
"Zn"
] |
mp-1106407 | mp-1106407 | HfCo3B2 | # generated using pymatgen
data_HfCo3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70024342
_cell_length_b 5.70024342
_cell_length_c 5.70024274
_cell_angle_alpha 94.52331401
_cell_angle_beta 94.52331401
_cell_angle_gamma 94.52330821
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HfCo3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.37320794
_cell_length_b 8.37320794
_cell_length_c 9.06107717
_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
],
[
1.7122444149202753,
1.865691849353923,
1.5821361426669165
],
[
3.4837281126271193,
3.795931870740644,
3.2190101542651552
],
[
-0.24325824540572846,
2.830811860047284,
5.475468629233018
],
[
2.841244509179426,
2.2875661111173706e-... | [
[
5.682489018358852,
0,
-0.4495482215339639
],
[
-0.4865164908114569,
5.661623720094568,
-0.4495482215339639
],
[
0,
0,
5.70024274
]
] | [
72,
72,
72,
27,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.598232 | 0 | 0 | 166 | 166 | [
"B",
"Co",
"Hf"
] |
mp-1078625 | mp-1078625 | Tm2InAu2 | # generated using pymatgen
data_Tm2InAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96701600
_cell_length_b 7.96701600
_cell_length_c 3.63510700
_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_Tm2InAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96701600
_cell_length_b 7.96701600
_cell_length_c 3.63510700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-8.261846713011422e-17,
1.349261961696,
2.634246038304
],
[
3.6351069999999996,
6.6177540383040006,
5.332769961696001
],
[
-3.2653798320900796e-16,
5.332769961696001,
1.3492619616960004
],
[
-1.6130104894877945e-16,
2.634246038304,
6.6177540383040006
]... | [
[
3.635107,
0,
2.225861076054069e-16
],
[
-4.878390321577874e-16,
7.967016,
4.878390321577874e-16
],
[
0,
0,
7.967016
]
] | [
69,
69,
69,
69,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.810805 | 0 | 0 | 127 | 127 | [
"Au",
"In",
"Tm"
] |
mp-1212853 | mp-1212853 | DyAl3Ni2 | # generated using pymatgen
data_DyAl3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02151237
_cell_length_b 9.02151237
_cell_length_c 4.04957800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_DyAl3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02151237
_cell_length_b 9.02151237
_cell_length_c 4.04957800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.024789000000002,
5.208572453082596,
2.463572660324121e-7
],
[
2.024789000000001,
2.6042862265412974,
4.5107563081786335
],
[
0,
0,
0
],
[
1.4956033094973886e-15,
3.9064293398119467,
2.25537827726795
],
[
2.991206618994777e-15,
7.81285867962... | [
[
4.049578,
0,
2.4796513677987703e-16
],
[
2.991206618994777e-15,
7.8128586796238935,
-4.510755815464102
],
[
0,
0,
9.02151237
]
] | [
66,
66,
66,
13,
13,
13,
13,
13,
13,
13,
13,
13,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.65798 | 0 | 0 | 191 | 191 | [
"Al",
"Dy",
"Ni"
] |
mp-864603 | mp-864603 | YbH2 | # generated using pymatgen
data_YbH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54151500
_cell_length_b 5.77732300
_cell_length_c 6.70668600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb... | # generated using pymatgen
data_YbH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54151500
_cell_length_b 5.77732300
_cell_length_c 6.70668600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb... | [
[
2.65613625,
1.383154676753,
4.10174209074
],
[
2.6561362499999994,
4.271816176753,
5.958286909260001
],
[
0.8853787499999999,
1.5055068232470001,
0.7483990907400001
],
[
0.8853787499999998,
4.3941683232469995,
2.60494390926
],
[
2.656136249999999... | [
[
3.541515,
0,
2.1685525044411694e-16
],
[
-3.537590059795192e-16,
5.777323,
3.537590059795192e-16
],
[
0,
0,
6.706686
]
] | [
70,
70,
70,
70,
1,
1,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.721473 | 2.8872 | 0 | 62 | 62 | [
"Yb",
"H"
] |
mp-998150 | mp-998150 | CaTlF3 | # generated using pymatgen
data_CaTlF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51367471
_cell_length_b 4.51367471
_cell_length_c 4.51157000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.09062056
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaTlF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37825000
_cell_length_b 6.38834599
_cell_length_c 4.51157000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.394905335238548e-16,
2.2780532904829953,
2.281659173731246
],
[
2.255785,
0.04765531798216987,
0.047730750595411084
],
[
-1.172691026452672e-18,
0.019151497840343774,
2.265691879612102
],
[
2.255785,
2.217949273221148,
2.2214600190685747
],
[
... | [
[
4.51157,
0,
2.762539879814612e-16
],
[
-2.7638251860775946e-16,
4.5136690644222925,
0.007138947455100111
],
[
0,
0,
4.51367471
]
] | [
20,
81,
9,
9,
9
] | [
1,
1,
1
] | -3.303131 | 4.8398 | 0.018161 | 38 | 38 | [
"Ca",
"F",
"Tl"
] |
mp-1185625 | mp-1185625 | MgZrPt2 | # generated using pymatgen
data_MgZrPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64748760
_cell_length_b 4.64748760
_cell_length_c 4.64748760
_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_MgZrPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57253999
_cell_length_b 6.57253999
_cell_length_c 6.57253999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.683228216915448,
1.8973288676520024,
4.647487600000001
],
[
0,
0,
0
],
[
4.0248423253731715,
2.8459933014780026,
6.971231400000001
],
[
1.341614108457724,
0.9486644338260007,
2.3237438
]
] | [
[
4.0248423253731715,
0,
2.3237438000000004
],
[
1.341614108457724,
3.794657735304003,
2.3237438000000004
],
[
0,
0,
4.6474876
]
] | [
12,
40,
78,
78
] | [
1,
1,
1
] | -0.959687 | 0 | 0 | 225 | 225 | [
"Mg",
"Pt",
"Zr"
] |
mp-1205618 | mp-1205618 | TmRe2SiC | # generated using pymatgen
data_TmRe2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78828517
_cell_length_b 5.78828517
_cell_length_c 7.28333800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 140.48183255
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TmRe2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91364400
_cell_length_b 10.89497001
_cell_length_c 7.28333800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.581231403620318e-16,
4.975994281560467,
5.4625035
],
[
1.9568220013301656,
0.4714907220308343,
1.8208345000000006
],
[
1.0207053589482268e-16,
1.8902228213961454,
6.842229917368
],
[
1.9568220013301654,
3.557262182195156,
0.44110808263199996
],
[
... | [
[
3.91364400266033,
0,
1.1086451164309417e-15
],
[
-1.9568220013301647,
5.447485003591302,
3.544302452996296e-16
],
[
0,
0,
7.283338
]
] | [
69,
69,
75,
75,
75,
75,
14,
14,
6,
6
] | [
1,
1,
1
] | -0.445644 | 0 | 0 | 63 | 63 | [
"C",
"Re",
"Si",
"Tm"
] |
mp-1225071 | mp-1225071 | Er(AlCu)6 | # generated using pymatgen
data_Er(AlCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08906700
_cell_length_b 6.59717712
_cell_length_c 6.59717712
_cell_angle_alpha 99.05914538
_cell_angle_beta 112.68723019
_cell_angle_gamma 67.31276981
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Er(AlCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08906700
_cell_length_b 8.56386799
_cell_length_c 8.65173599
_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
],
[
3.150786145802842,
3.9637601712215447,
5.657438702736256
],
[
3.868193868399913,
2.12263715333718,
3.9413453289768996
],
[
1.5245785498434483,
3.9933096302322775,
2.950271917699496
],
[
0.7991057286298551,
2.093087694326447,
... | [
[
4.695295735729452,
0,
1.9628552887387853
],
[
2.323684278473303,
6.086397324558725,
1.0387516229743698
],
[
0,
0,
6.59717712
]
] | [
68,
13,
13,
13,
13,
13,
13,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.347081 | 0 | 0 | 71 | 71 | [
"Al",
"Cu",
"Er"
] |
mp-1102671 | mp-1102671 | EuIn4Au | # generated using pymatgen
data_EuIn4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.94528236
_cell_length_b 8.94528236
_cell_length_c 7.56369700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.29974228
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuIn4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73593400
_cell_length_b 17.25233999
_cell_length_c 7.56369700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.857558044476683,
5.672772750000001,
1.464398805598176
],
[
1.7094271104886958,
1.89092425,
6.227202009216193
],
[
3.750769001084812,
7.198733492356001,
4.718240416928371
],
[
0.8162161538805671,
0.3649635076440001,
2.973360397885998
],
[
3.7507... | [
[
4.566985154965377,
0,
-1.2536815451856322
],
[
1.2163352460991227e-15,
7.563697,
4.631428660385219e-16
],
[
0,
0,
8.94528236
]
] | [
63,
63,
49,
49,
49,
49,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | -0.368556 | 0 | 0 | 63 | 63 | [
"Au",
"Eu",
"In"
] |
mp-765775 | mp-765775 | Li2V2SiGeO10 | # generated using pymatgen
data_Li2V2SiGeO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41248160
_cell_length_b 6.41248160
_cell_length_c 4.66678600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.50610091
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li2V2SiGeO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02847800
_cell_length_b 9.10858200
_cell_length_c 4.66678600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.666786,
4.873680626353109,
1.4955598743912693
],
[
4.666786,
1.538550811103288,
4.860280196370603
],
[
1.8253760096120004,
0,
3.2062408
],
[
2.841409990388,
3.206115718728199,
6.3841608353809365
],
[
2.333393,
0,
1.42879113430142e-16
... | [
[
4.666786,
0,
2.85758226860284e-16
],
[
-3.9263593526365043e-16,
6.412231437456398,
-0.05664152923812687
],
[
0,
0,
6.4124816
]
] | [
3,
3,
23,
23,
14,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.458023 | 1.8559 | 0.061021 | 21 | 21 | [
"Ge",
"Li",
"O",
"Si",
"V"
] |
mp-1183517 | mp-1183517 | CaCd3 | # generated using pymatgen
data_CaCd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75810695
_cell_length_b 6.75810695
_cell_length_c 5.09348800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998975
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaCd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75810695
_cell_length_b 6.75810695
_cell_length_c 5.09348800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2733720000000022,
3.901795269794712,
-6.980164976852274e-7
],
[
3.8201160000000005,
1.9508976348973566,
3.379053125991751
],
[
3.8201160000000014,
4.916788782302759,
-1.7580210310332693
],
[
3.8201160000000005,
1.8718082447786168,
-3.3485945393214986e-... | [
[
5.093488,
0,
3.1188618878477266e-16
],
[
2.2407436859335896e-15,
5.852692904692067,
-3.3790545220247465
],
[
0,
0,
6.758106949999999
]
] | [
20,
20,
48,
48,
48,
48,
48,
48
] | [
1,
1,
1
] | -0.265919 | 0 | 0.001156 | 194 | 194 | [
"Ca",
"Cd"
] |
mp-11436 | mp-11436 | Er(VGa2)2 | # generated using pymatgen
data_Er(VGa2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35137350
_cell_length_b 5.35137350
_cell_length_c 5.35137350
_cell_angle_alpha 103.83127403
_cell_angle_beta 103.83127403
_cell_angle_gamma 121.45797257
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Er(VGa2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60168001
_cell_length_b 6.60168001
_cell_length_c 5.23301400
_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
],
[
4.56484572900481,
2.3340463495491686,
5.234322917561667
],
[
2.2824228645945865,
2.3340463495491686,
3.9550048338325023
],
[
4.564845729043594,
2.82504567582573,
7.910009667583406
],
[
3.6637040987084584,
4.668092699098337,
4... | [
[
4.564845728820448,
0,
2.5586361674583302
],
[
2.28242286477895,
4.668092699098337,
1.2793180839358398
],
[
0,
0,
5.3513735
]
] | [
68,
23,
23,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.405339 | 0 | 0 | 139 | 139 | [
"Er",
"V",
"Ga"
] |
mp-776441 | mp-776441 | VOF3 | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47449700
_cell_length_b 5.49658980
_cell_length_c 10.43528246
_cell_angle_alpha 89.20385312
_cell_angle_beta 89.39920396
_cell_angle_gamma 60.45502180
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47449700
_cell_length_b 5.49658980
_cell_length_c 10.43528246
_cell_angle_alpha 89.20385312
_cell_angle_beta 89.39920396
_cell_angle_gamma 60.45502180
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
0,
0,
0
],
[
0,
0,
5.21764123
],
[
2.359775645426108,
0.00043034593623811953,
2.571845440921438
],
[
5.824173516967828,
4.781191167820645,
7.997215595922713
],
[
3.9698960891694988,
0.3181212793102455,
9.381465576572397
],
[
1.106... | [
[
5.474196032843454,
0,
0.05740380658104492
],
[
2.709753129550481,
4.781621513756884,
0.07637477026310588
],
[
0,
0,
10.43528246
]
] | [
23,
23,
23,
23,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.651317 | 1.8455 | 0.06276 | 2 | 2 | [
"F",
"O",
"V"
] |
mp-561317 | mp-561317 | Rb2NiF4 | # generated using pymatgen
data_Rb2NiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53206088
_cell_length_b 7.53206088
_cell_length_c 7.53206088
_cell_angle_alpha 147.93389085
_cell_angle_beta 147.93389085
_cell_angle_gamma 45.98296607
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb2NiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16058800
_cell_length_b 4.16058800
_cell_length_c 13.86747199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3696936474792767,
2.5741788882949446,
0.7140852126352928
],
[
1.2988353569657543,
1.4109142584016279,
4.519734487710139
],
[
0,
0,
0
],
[
3.8336403016143716,
1.9925465733482868,
5.808379995162861
],
[
1.6691532050531745,
3.9850931466965736,... | [
[
3.998751598783713,
0,
-1.1491205900197088
],
[
-0.3302225943386819,
3.9850931466965736,
-1.1491205896348613
],
[
0,
0,
7.53206088
]
] | [
37,
37,
28,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.712248 | 3.8975 | 0 | 139 | 139 | [
"Rb",
"Ni",
"F"
] |
mp-638 | mp-638 | SrZn5 | # generated using pymatgen
data_SrZn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59816962
_cell_length_b 5.59816962
_cell_length_c 4.23697700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999555
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrZn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59816962
_cell_length_b 5.59816962
_cell_length_c 4.23697700
_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
],
[
6.1871677914513965e-16,
1.6160524410037367,
2.7990846844858126
],
[
2.118488500000001,
2.4240786615056047,
1.3995422167287193
],
[
2.118488500000001,
2.4240786615056047,
-1.3995425932712802
],
[
2.118488500000002,
4.8481573230112... | [
[
4.236977,
0,
2.594400160555478e-16
],
[
1.8561503374354187e-15,
4.848157323011209,
-2.799085186542561
],
[
0,
0,
5.598169619999999
]
] | [
38,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | -0.215325 | 0 | 0.007275 | 191 | 191 | [
"Sr",
"Zn"
] |
mp-1226717 | mp-1226717 | CeTh3Al2 | # generated using pymatgen
data_CeTh3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76633081
_cell_length_b 6.15166325
_cell_length_c 6.13184544
_cell_angle_alpha 78.43344834
_cell_angle_beta 50.89654974
_cell_angle_gamma 50.67000192
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeTh3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50029000
_cell_length_b 10.96106400
_cell_length_c 11.00539200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.9200391038178255,
3.77262285099437,
2.4589439359980645
],
[
2.4600220119279044,
1.683767404415149,
7.381130298000752
],
[
6.612827757878521,
5.480115478432603,
5.22354892187585
],
[
3.2272504497665864,
5.480115478432603,
5.8460022035710635
],
[
... | [
[
4.9200391038073805,
0,
2.4589439346863613
],
[
2.460019551918865,
5.4805319988645165,
1.2294719692487077
],
[
0,
0,
6.151663252263428
]
] | [
58,
90,
90,
90,
13,
13
] | [
1,
1,
1
] | -0.19845 | 0 | 0.035018 | 42 | 42 | [
"Al",
"Ce",
"Th"
] |
mp-568244 | mp-568244 | TlSn2Br5 | # generated using pymatgen
data_TlSn2Br5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.54454082
_cell_length_b 9.54454082
_cell_length_c 9.54454082
_cell_angle_alpha 127.41212058
_cell_angle_beta 127.41212058
_cell_angle_gamma 77.57932398
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_TlSn2Br5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45601200
_cell_length_b 8.45601200
_cell_length_c 14.87900400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.432573222745496,
1.8379259261396428,
2.8993636804733574
],
[
4.297719668236488,
5.513777778418929,
-0.8464497785799274
],
[
5.6494322213855845,
2.3848632749439824,
-4.303160535128682
],
[
2.1342669763624174,
1.2909959290390092,
-1.8729104753031844
],... | [
[
7.581096257445183,
0,
-3.7458134588051655
],
[
-1.8508033664631995,
7.351703704558571,
-3.745813459301405
],
[
0,
0,
9.54454082
]
] | [
81,
81,
50,
50,
50,
50,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.142166 | 2.3783 | 0 | 140 | 140 | [
"Br",
"Sn",
"Tl"
] |
mp-11511 | mp-11511 | LaAlGe | # generated using pymatgen
data_LaAlGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04203170
_cell_length_b 8.04203170
_cell_length_c 8.04203170
_cell_angle_alpha 148.46376631
_cell_angle_beta 148.46376631
_cell_angle_gamma 45.20121728
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaAlGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37076000
_cell_length_b 4.37076000
_cell_length_c 14.84890600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1052872325137058,
0.002322863123144422,
-0.586271005627792
],
[
2.905323387266426,
3.1469931561883357,
2.247013702608095
],
[
3.718061178253364,
1.7492501043267192,
5.125280563669869
],
[
0.6471921252976106,
0.7010266733049887,
2.2919958551198953
],
... | [
[
4.20628550205727,
0,
-1.1877311412929834
],
[
-0.3353802943487962,
4.192893724086922,
-1.1877311419211571
],
[
0,
0,
8.0420317
]
] | [
57,
57,
13,
13,
32,
32
] | [
1,
1,
1
] | -0.7101 | 0 | 0 | 109 | 109 | [
"La",
"Al",
"Ge"
] |
mp-1208135 | mp-1208135 | Tm12Fe2Pb3 | # generated using pymatgen
data_Tm12Fe2Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38129575
_cell_length_b 8.38129575
_cell_length_c 8.38129575
_cell_angle_alpha 110.22558339
_cell_angle_beta 110.22558339
_cell_angle_gamma 107.97280631
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Tm12Fe2Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.58757800
_cell_length_b 9.58757800
_cell_length_c 9.85602201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.0167276028933103,
6.666694914763353,
-2.8922870953389865
],
[
1.806960871393926,
0.20569049532391168,
5.789845321810152
],
[
0.06771711377962028,
3.1637026235336725,
-0.09711640484587053
],
[
1.0582803188852634,
1.4790060641048803,
2.591450428378626
... | [
[
7.86449456511551,
0,
-2.8975582257010752
],
[
-4.040806090828274,
6.872385410087265,
-2.586179297827757
],
[
0,
0,
8.38129575
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
26,
26,
82,
82,
82
] | [
1,
1,
1
] | -0.229582 | 0 | 0.029226 | 139 | 139 | [
"Fe",
"Pb",
"Tm"
] |
mp-12781 | mp-12781 | ScAl2Ni | # generated using pymatgen
data_ScAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17674782
_cell_length_b 5.17674782
_cell_length_c 6.68600100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.40987996
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ScAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01131800
_cell_length_b 9.54485201
_cell_length_c 6.68600100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.035914144053152e-16,
4.131737357648105,
1.6715002500000007
],
[
2.005659001440535,
0.6406886461591111,
5.014500750000001
],
[
-2.460063458971945e-16,
1.3929947916952652,
0.3392008887330012
],
[
2.0056590014405344,
3.379431212111951,
6.346800111267001
... | [
[
4.011318002881069,
0,
1.1363139088079152e-15
],
[
-2.0056590014405344,
4.772426003807216,
3.169843823878019e-16
],
[
0,
0,
6.686001
]
] | [
21,
21,
13,
13,
13,
13,
28,
28
] | [
1,
1,
1
] | -0.656923 | 0 | 0 | 63 | 63 | [
"Sc",
"Al",
"Ni"
] |
mp-15965 | mp-15965 | Hf5Si3 | # generated using pymatgen
data_Hf5Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88998127
_cell_length_b 7.88998127
_cell_length_c 5.51148500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999385
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Hf5Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88998127
_cell_length_b 7.88998127
_cell_length_c 5.51148500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3778712500000028,
6.832924638649783,
1.9490613396973728
],
[
4.133613750000003,
6.832924638649783,
-1.9490628065588265
],
[
4.133613750000001,
1.7285249458392358,
-0.9979644664719203
],
[
1.3778712500000008,
1.7285249458392367,
0.9979640953999797
],
... | [
[
5.511485,
0,
3.3748112318993253e-16
],
[
2.6160321393661298e-15,
6.832924638649783,
-3.9449913684307267
],
[
0,
0,
7.88998127
]
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.717917 | 0 | 0.033388 | 193 | 193 | [
"Hf",
"Si"
] |
mp-541785 | mp-541785 | GePdS3 | # generated using pymatgen
data_GePdS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75720251
_cell_length_b 7.75720251
_cell_length_c 9.39719999
_cell_angle_alpha 72.61922643
_cell_angle_beta 72.61922643
_cell_angle_gamma 26.07926904
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GePdS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.11435400
_cell_length_b 3.50043800
_cell_length_c 9.39719999
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.85608619
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-5.076107332145374e-18,
1.2062904969585504,
2.435464870566413
],
[
1.7502190006163918,
5.986854982818138,
4.644499193205991
],
[
-1.0813806108838338e-16,
5.622004257792905,
-1.5513714102255027
],
[
1.7502190006163918,
1.5711412219837846,
8.63133547399790... | [
[
3.500438001232784,
0,
2.1434000969117439e-16
],
[
-1.750219000616392,
7.193145479776688,
-2.3172359262275974
],
[
0,
0,
9.39719999
]
] | [
32,
32,
46,
46,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.651797 | 1.3728 | 0 | 12 | 12 | [
"Ge",
"Pd",
"S"
] |
mp-12097 | mp-12097 | Sm(SiIr)2 | # generated using pymatgen
data_Sm(SiIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82815228
_cell_length_b 5.82815228
_cell_length_c 5.82815228
_cell_angle_alpha 138.74762437
_cell_angle_beta 138.74762437
_cell_angle_gamma 59.75988488
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(SiIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10616000
_cell_length_b 4.10616000
_cell_length_c 10.10684600
_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
],
[
2.054840606496966,
2.369863746983053,
-0.3689150555455087
],
[
1.2436601150510034,
1.4343229401392001,
3.3041178830071054
],
[
0.5524007937877582,
2.853140015341691,
1.4676014135530913
],
[
2.746099927760211,
0.9510466717805632,
... | [
[
3.842949494746438,
0,
-1.446474725913788
],
[
-0.5444487731984685,
3.8041866871222547,
-1.446474726624616
],
[
0,
0,
5.82815228
]
] | [
62,
14,
14,
77,
77
] | [
1,
1,
1
] | -1.051017 | 0 | 0 | 139 | 139 | [
"Sm",
"Si",
"Ir"
] |
mp-1215776 | mp-1215776 | Zr2Ga3Co | # generated using pymatgen
data_Zr2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34288783
_cell_length_b 5.34288783
_cell_length_c 6.54808826
_cell_angle_alpha 52.89360845
_cell_angle_beta 52.89360845
_cell_angle_gamma 46.00324821
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zr2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.83619000
_cell_length_b 4.17554400
_cell_length_c 6.54808826
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.95042676
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.4351277159893536,
1.0147280425766398,
4.994780182845987
],
[
3.0934158558874123,
3.869846654185092,
3.4229341551443
],
[
4.3291625529929325,
3.025067774383753,
5.876907660886224
],
[
3.5407228672262643,
1.0801178760491508,
2.354864253345727
],
[
... | [
[
3.8514257470139617,
0,
1.6129747101657508
],
[
1.6869791082157417,
4.879110093457058,
1.3765306201938192
],
[
0,
0,
5.404662450846697
]
] | [
40,
40,
31,
31,
31,
27
] | [
1,
1,
1
] | -0.518511 | 0 | 0.055524 | 8 | 8 | [
"Co",
"Ga",
"Zr"
] |
mp-22872 | mp-22872 | SbCl3 | # generated using pymatgen
data_SbCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94773000
_cell_length_b 8.86921200
_cell_length_c 9.35376400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SbCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94773000
_cell_length_b 8.86921200
_cell_length_c 9.35376400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
6.86683063188,
0.01272731922,
7.015323
],
[
3.3929656318799997,
4.421878680779999,
2.3384410000000004
],
[
3.5547643681199994,
4.447333319219999,
7.015323
],
[
0.08089936811999945,
8.85648468078,
2.3384410000000004
],
[
0.8748512138699999,
1.... | [
[
6.94773,
0,
4.25425765292002e-16
],
[
-5.430826043379647e-16,
8.869212,
5.430826043379647e-16
],
[
0,
0,
9.353764
]
] | [
51,
51,
51,
51,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.329273 | 3.7511 | 0 | 62 | 62 | [
"Sb",
"Cl"
] |
mp-1188244 | mp-1188244 | Lu2ReC2 | # generated using pymatgen
data_Lu2ReC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98932800
_cell_length_b 6.48275300
_cell_length_c 9.67706000
_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_Lu2ReC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98932800
_cell_length_b 6.48275300
_cell_length_c 9.67706000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2473319999999999,
5.318813595368,
9.125090174660002
],
[
1.2473319999999999,
2.077437095368,
5.39049982534
],
[
3.7419960000000003,
1.163939404632,
0.5519698253400004
],
[
3.741996,
4.405315904632,
4.286560174660001
],
[
1.2473319999999999,
... | [
[
4.989328,
0,
3.055082282548133e-16
],
[
-3.9695413555564504e-16,
6.482753,
3.9695413555564504e-16
],
[
0,
0,
9.67706
]
] | [
71,
71,
71,
71,
71,
71,
71,
71,
75,
75,
75,
75,
6,
6,
6,
6,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.474522 | 0 | 0 | 62 | 62 | [
"C",
"Lu",
"Re"
] |
mp-675464 | mp-675464 | CdIn2O4 | # generated using pymatgen
data_CdIn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58383083
_cell_length_b 6.58383083
_cell_length_c 6.58383083
_cell_angle_alpha 120.99928837
_cell_angle_beta 119.14600652
_cell_angle_gamma 89.88172647
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CdIn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48413800
_cell_length_b 6.66863200
_cell_length_c 9.32054801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.732534305351184,
5.4234331473926165,
8.09497221166891
],
[
7.5542776135299246,
5.423433147392617,
9.69146089553767
],
[
1.9316768671251159,
3.343156048180936,
3.169652997291603
],
[
5.622600746404808,
2.0802770992116812,
9.813723313726404
],
[
... | [
[
5.643486616357482,
0,
3.1929773677375204
],
[
1.9107909971724426,
5.423433147392617,
3.2065681123198124
],
[
0,
0,
6.583830830960675
]
] | [
48,
48,
49,
49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.771664 | 0.1908 | 0.077789 | 74 | 74 | [
"Cd",
"In",
"O"
] |
mp-1038816 | mp-1038816 | CeMg | # generated using pymatgen
data_CeMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84168275
_cell_length_b 5.84168275
_cell_length_c 5.95061315
_cell_angle_alpha 68.25308233
_cell_angle_beta 68.25308233
_cell_angle_gamma 33.81271139
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | # generated using pymatgen
data_CeMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.17842600
_cell_length_b 3.39762000
_cell_length_c 5.95061315
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.78309799
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6988099993046886,
3.674788488891849,
1.7534619172924324
],
[
-3.432084467326943e-16,
1.4783397295682765,
2.032764136548492
],
[
1.6988099993046892,
1.3114092940594808,
5.041581645655819
],
[
-3.548801705220034e-16,
3.8417189244006456,
-1.25535559181489... | [
[
3.3976199986093785,
0,
2.080442228008005e-16
],
[
-1.6988099993046903,
5.153128218460128,
-2.1643870961590754
],
[
0,
0,
5.95061315
]
] | [
58,
58,
12,
12
] | [
1,
1,
1
] | 0.007686 | 0 | 0.026491 | 12 | 12 | [
"Ce",
"Mg"
] |
mp-1188603 | mp-1188603 | La(Sb3Ru)4 | # generated using pymatgen
data_La(Sb3Ru)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13616837
_cell_length_b 8.13616837
_cell_length_c 8.13616837
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_La(Sb3Ru)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.39483800
_cell_length_b 9.39483800
_cell_length_c 9.39483800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
1.9975285026924103,
1.0518370909331969,
2.700698031975692
],
[
1.8378980495865593,
5.591316564840026,
0.011358090756419708
],
[
-0.6233411941294841,
5.591316564840026,
-1.7290008678742494
],
[
4.458767746408454,
1.051837090933197... | [
[
7.670853104557943,
0,
-2.712056124535775
],
[
-3.8354265522789723,
6.643153655773224,
-2.712056122732113
],
[
0,
0,
8.13616837
]
] | [
57,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.497704 | 0 | 0 | 204 | 204 | [
"La",
"Ru",
"Sb"
] |
mp-1214420 | mp-1214420 | BaHfF6 | # generated using pymatgen
data_BaHfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90255306
_cell_length_b 6.90255306
_cell_length_c 5.60102700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.20768453
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaHfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69896200
_cell_length_b 11.45892400
_cell_length_c 5.60102700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1054502129609998,
4.792890739597222,
-0.23105413621514348
],
[
2.495576787039,
1.5976302465324073,
4.524683994594952
],
[
-2.934799151455363e-16,
4.792890739597222,
3.220222393784856
],
[
-9.782663838184546e-17,
1.5976302465324073,
1.073407464594952
... | [
[
5.601027,
0,
3.429639893743951e-16
],
[
-3.9130655352738185e-16,
6.390520986129629,
-2.6089232016201915
],
[
0,
0,
6.90255306
]
] | [
56,
56,
72,
72,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -4.211964 | 7.1321 | 0 | 67 | 67 | [
"Ba",
"F",
"Hf"
] |
mp-1186793 | mp-1186793 | Pu2SnHg | # generated using pymatgen
data_Pu2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34991192
_cell_length_b 5.34991192
_cell_length_c 5.34991192
_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_Pu2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56591799
_cell_length_b 7.56591799
_cell_length_c 7.56591799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.633159630729182,
3.276138593208366,
8.02486788
],
[
1.5443865435763935,
1.0920461977361209,
2.6749559599999992
],
[
0,
0,
0
],
[
3.0887730871527883,
2.1840923954722444,
5.34991192
]
] | [
[
4.633159630729183,
0,
2.67495596
],
[
1.544386543576393,
4.368184790944487,
2.6749559599999997
],
[
0,
0,
5.34991192
]
] | [
94,
94,
50,
80
] | [
1,
1,
1
] | -0.271564 | 0 | 0 | 225 | 225 | [
"Hg",
"Pu",
"Sn"
] |
mp-973894 | mp-973894 | LaNdZn2 | # generated using pymatgen
data_LaNdZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27386400
_cell_length_b 5.27386400
_cell_length_c 5.27386400
_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_LaNdZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45836999
_cell_length_b 7.45836999
_cell_length_c 7.45836999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0448668000694767,
2.15304596213891,
5.273864000000001
],
[
0,
0,
0
],
[
1.5224334000347381,
1.0765229810694543,
2.6369320000000003
],
[
4.567300200104215,
3.2295689432083656,
7.910796000000001
]
] | [
[
4.567300200104215,
0,
2.6369320000000007
],
[
1.5224334000347384,
4.306091924277821,
2.6369320000000003
],
[
0,
0,
5.273864
]
] | [
57,
60,
30,
30
] | [
1,
1,
1
] | -0.313391 | 0 | 0.001845 | 225 | 225 | [
"La",
"Nd",
"Zn"
] |
mp-1184345 | mp-1184345 | ErLuRh2 | # generated using pymatgen
data_ErLuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79177416
_cell_length_b 4.79177416
_cell_length_c 4.79177416
_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_ErLuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77659200
_cell_length_b 6.77659200
_cell_length_c 6.77659200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7665321011718933,
1.9562336091089123,
4.791774159999999
],
[
0,
0,
0
],
[
4.14979815175784,
2.9343504136633696,
7.187661239999999
],
[
1.383266050585946,
0.9781168045544557,
2.395887079999999
]
] | [
[
4.14979815175784,
0,
2.3958870799999996
],
[
1.3832660505859455,
3.9124672182178264,
2.39588708
],
[
0,
0,
4.791774159999999
]
] | [
68,
71,
45,
45
] | [
1,
1,
1
] | -0.977037 | 0 | 0.011047 | 225 | 225 | [
"Er",
"Lu",
"Rh"
] |
mp-1205825 | mp-1205825 | Ba2MgMoO6 | # generated using pymatgen
data_Ba2MgMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80695605
_cell_length_b 5.80695605
_cell_length_c 5.80695605
_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_Ba2MgMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.21227600
_cell_length_b 8.21227600
_cell_length_c 8.21227600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.028971457959739,
3.556019820316929,
8.710434075
],
[
1.6763238193199146,
1.1853399401056415,
2.903478024999999
],
[
3.3526476386398256,
2.3706798802112856,
5.80695605
],
[
0,
0,
0
],
[
2.4767013900923986,
3.609454944816891,
4.2897726428... | [
[
5.028971457959739,
0,
2.9034780250000005
],
[
1.6763238193199128,
4.741359760422572,
2.903478025
],
[
0,
0,
5.806956049999999
]
] | [
56,
56,
12,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.835678 | 2.2639 | 0 | 225 | 225 | [
"Ba",
"Mg",
"Mo",
"O"
] |
mp-714911 | mp-714911 | V3O5 | # generated using pymatgen
data_V3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19573400
_cell_length_b 5.71406066
_cell_length_c 7.10895840
_cell_angle_alpha 109.65342430
_cell_angle_beta 90.00115006
_cell_angle_gamma 62.95738977
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_V3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.17866939
_cell_length_b 5.19573400
_cell_length_c 7.10895840
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.18539320
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8661711432714765,
2.382602019418455,
2.5734115047412898
],
[
1.2832312547544997,
3.5836485936333404,
3.673586797352995
],
[
1.3071787840263351,
1.1437890264664623,
5.090117380943734
],
[
-1.2682817708177556,
2.3827104081919708,
6.127963782701489
],
... | [
[
5.1957339989533216,
0,
-0.0001042905061139872
],
[
-2.5978577197214565,
4.712555370240583,
-1.9217047391273425
],
[
0,
0,
7.1089584
]
] | [
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.51969 | 1.0285 | 0.002655 | 9 | 9 | [
"O",
"V"
] |
mp-1224059 | mp-1224059 | Hf2CoCuSn2 | # generated using pymatgen
data_Hf2CoCuSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35668783
_cell_length_b 4.35668783
_cell_length_c 6.76558801
_cell_angle_alpha 90.00484014
_cell_angle_beta 89.99515986
_cell_angle_gamma 120.00440129
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Hf2CoCuSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35668783
_cell_length_b 4.35668783
_cell_length_c 6.76558801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.178198998029548,
3.773025613954331,
3.4135124641372614
],
[
2.4183078542199664e-16,
0.000015092343933335353,
0.164620288931469
],
[
2.1781989980295475,
1.257695327776688,
1.1046049217034983
],
[
2.8287009786153937e-16,
2.5153906555533765,
4.53443419303... | [
[
4.356397996059094,
0,
2.6675244308428566e-16
],
[
-2.1781989980295466,
3.7730859833300645,
0.00036803721299645076
],
[
0,
0,
6.76558801
]
] | [
72,
72,
27,
29,
50,
50
] | [
1,
1,
1
] | -0.380607 | 0 | 0 | 156 | 156 | [
"Co",
"Cu",
"Hf",
"Sn"
] |
mp-1106229 | mp-1106229 | YB2Os | # generated using pymatgen
data_YB2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91465700
_cell_length_b 5.33289900
_cell_length_c 6.39118200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YB2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33289900
_cell_length_b 5.91465700
_cell_length_c 6.39118200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
3.9996742499999995,
5.850766875086,
4.247272780464
],
[
3.99967425,
2.893438375086,
5.339500219536
],
[
1.3332247500000007,
0.06389012491399987,
2.143909219535999
],
[
1.3332247500000005,
3.021218624914,
1.0516817804639997
],
[
4.895115988191,
... | [
[
5.332899,
0,
3.2654588452630604e-16
],
[
-3.6216828815522436e-16,
5.914657,
3.6216828815522436e-16
],
[
0,
0,
6.391182
]
] | [
39,
39,
39,
39,
5,
5,
5,
5,
5,
5,
5,
5,
76,
76,
76,
76
] | [
1,
1,
1
] | -0.564034 | 0 | 0 | 62 | 62 | [
"B",
"Os",
"Y"
] |
mp-18837 | mp-18837 | KSc(MoO4)2 | # generated using pymatgen
data_KSc(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88498927
_cell_length_b 5.88498927
_cell_length_c 7.40486600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999181
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_KSc(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88498927
_cell_length_b 5.88498927
_cell_length_c 7.40486600
_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,
3.702433
],
[
0,
0,
0
],
[
2.942494999256719,
1.6988499995050355,
5.567126356120001
],
[
2.263008299821165e-16,
3.3976999990100722,
1.8377396438799998
],
[
1.4903737171235287,
4.258167523759372,
1.2730667773180009
],
[
-4.82... | [
[
5.884989998513437,
0,
1.6670819874423602e-15
],
[
-2.942494999256718,
5.0965499985151075,
3.6035166362610094e-16
],
[
0,
0,
7.404866
]
] | [
19,
21,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.515398 | 3.616 | 0 | 164 | 164 | [
"K",
"Mo",
"O",
"Sc"
] |
mp-1205507 | mp-1205507 | Eu2MgWO6 | # generated using pymatgen
data_Eu2MgWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66171207
_cell_length_b 5.66171207
_cell_length_c 5.66171207
_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_Eu2MgWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00687000
_cell_length_b 8.00687000
_cell_length_c 8.00687000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.903186481532979,
3.4670764105141796,
8.492568105
],
[
1.634395493844325,
1.1556921368380622,
2.830856035
],
[
3.2687909876886523,
2.311384273676121,
5.661712069999999
],
[
0,
0,
0
],
[
2.4333893437560508,
3.492820608554384,
4.2147539779... | [
[
4.9031864815329795,
0,
2.8308560350000005
],
[
1.6343954938443257,
4.622768547352238,
2.8308560350000005
],
[
0,
0,
5.661712069999999
]
] | [
63,
63,
12,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.933276 | 0.2766 | 0 | 225 | 225 | [
"Eu",
"Mg",
"O",
"W"
] |
mp-1227263 | mp-1227263 | CaMn3Cu3RuO12 | # generated using pymatgen
data_CaMn3Cu3RuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40376388
_cell_length_b 6.47964110
_cell_length_c 6.47856752
_cell_angle_alpha 70.38629723
_cell_angle_beta 109.29433555
_cell_angle_gamma 70.73450973
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_CaMn3Cu3RuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.59904477
_cell_length_b 10.59904477
_cell_length_c 6.40376388
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
6.0495123971533795,
0,
4.379260318452584
],
[
0.00014518045197768986,
0.00007412738223921741,
3.2398533064207293
],
[
-1.5127032406403618,
2.6474382774084364,
-1.093590289924756
],
[
1.5121013650629154,
2.64734297077413,
1.096016543684538
],
[
3.... | [
[
6.04953659529976,
0,
-2.1003092184060974
],
[
-3.0253701768386017,
5.294813017060669,
-2.1872191290905034
],
[
0,
0,
6.4795870539700235
]
] | [
20,
25,
25,
25,
29,
29,
29,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.676033 | 0 | 0.018668 | 148 | 148 | [
"Ca",
"Cu",
"Mn",
"O",
"Ru"
] |
mp-1220559 | mp-1220559 | Nb4H3S8 | # generated using pymatgen
data_Nb4H3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35740387
_cell_length_b 3.35740387
_cell_length_c 27.08397100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999736
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nb4H3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35740387
_cell_length_b 3.35740387
_cell_length_c 27.08397100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.19840302244099e-16,
1.9383980023397802,
27.083971
],
[
3.19840302244099e-16,
1.9383980023397802,
13.5419855
],
[
1.678702001986227,
0.9691990011698899,
20.321726372632998
],
[
1.678702001986227,
0.9691990011698899,
6.762244627367001
],
[
0,
... | [
[
3.3574040039724538,
0,
9.510751489812504e-16
],
[
-1.678702001986227,
2.90759700350967,
2.0558169514202183e-16
],
[
0,
0,
27.083971
]
] | [
41,
41,
41,
41,
1,
1,
1,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.158711 | 0 | 0 | 187 | 187 | [
"H",
"Nb",
"S"
] |
mp-1079047 | mp-1079047 | Sm2CoGe2 | # generated using pymatgen
data_Sm2CoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79027080
_cell_length_b 5.79027080
_cell_length_c 10.42290063
_cell_angle_alpha 63.61423549
_cell_angle_beta 63.61423549
_cell_angle_gamma 43.43730158
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sm2CoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.75846400
_cell_length_b 4.28537000
_cell_length_c 10.42290063
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.57907343
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.278866222680663,
3.9490279104547077,
9.073592453425043
],
[
3.9276975465085036,
1.4252469424372385,
2.023749554498664
],
[
0.6765130720566604,
1.7267168903102117,
6.516085135500539
],
[
5.5300506971325065,
3.647557962581735,
4.581256872423168
],
[
... | [
[
4.172762722396195,
0,
0.9759340714721125
],
[
2.033801046792972,
5.374274852891946,
0.7127826070897821
],
[
0,
0,
9.408625329361813
]
] | [
62,
62,
62,
62,
27,
27,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.697411 | 0 | 0.009121 | 12 | 12 | [
"Co",
"Ge",
"Sm"
] |
mp-1188412 | mp-1188412 | Nd4Mg7Ge6 | # generated using pymatgen
data_Nd4Mg7Ge6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63091771
_cell_length_b 8.63091771
_cell_length_c 12.55952229
_cell_angle_alpha 58.85524125
_cell_angle_beta 58.85524125
_cell_angle_gamma 29.80120930
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Nd4Mg7Ge6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.68137799
_cell_length_b 4.43876000
_cell_length_c 12.55952229
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.35740933
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.796224854353926,
7.0387767774706775,
8.396886960750308
],
[
3.469172534640894,
1.2064787731957076,
5.142745552525429
],
[
2.4153580688321155,
3.466651734233277,
10.238626540349587
],
[
3.8500393201627037,
4.778603816433106,
3.3010059729261507
],
[
... | [
[
4.3467875479931,
0,
0.8989039596524171
],
[
1.9186098410017205,
8.245255550666387,
1.6814986467458541
],
[
0,
0,
10.959229906877468
]
] | [
60,
60,
60,
60,
12,
12,
12,
12,
12,
12,
12,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.554185 | 0 | 0 | 12 | 12 | [
"Ge",
"Mg",
"Nd"
] |
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