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-23488 | mp-23488 | Tl5Se2I | # generated using pymatgen
data_Tl5Se2I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.43577854
_cell_length_b 9.43577854
_cell_length_c 9.43577854
_cell_angle_alpha 124.09339512
_cell_angle_beta 124.09339512
_cell_angle_gamma 83.04515543
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Tl5Se2I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84607600
_cell_length_b 8.84607600
_cell_length_c 14.12903200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.4670597647716357,
5.842251150943727,
-1.8394575187212285
],
[
3.908052487996731,
7.430114908608096,
-4.790926057070937
],
[
3.2221241050507525,
2.093363736612756,
-0.6443121715323633
],
[
1.7054906903768488,
0.06765992005384494,
5.933476825808717
],
... | [
[
7.8140037054614035,
0,
-4.146613885849582
],
[
-2.200460527087823,
7.4977748286619414,
-4.146613885412639
],
[
0,
0,
9.43577854
]
] | [
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81,
81,
81,
81,
81,
81,
81,
34,
34,
34,
34,
53,
53
] | [
1,
1,
1
] | -0.616137 | 0.7097 | 0 | 140 | 140 | [
"Tl",
"Se",
"I"
] |
mp-1215528 | mp-1215528 | Zr2Co3Mo | # generated using pymatgen
data_Zr2Co3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95202731
_cell_length_b 4.95202731
_cell_length_c 4.95202776
_cell_angle_alpha 62.08993537
_cell_angle_beta 62.08993537
_cell_angle_gamma 62.08992935
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zr2Co3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10762634
_cell_length_b 5.10762634
_cell_length_c 11.93480790
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.1483182079383103,
1.5439271247113302,
3.5690538469025714
],
[
3.622960789754891,
2.6037052678691355,
6.018913816431787
],
[
2.188012213297373,
2.7463960429838618e-17,
1.1589849758335897
],
[
0.6976272855492277,
2.073816196290233,
1.1589849758335895
]... | [
[
4.376024426594746,
0,
2.3179699516671795
],
[
1.3952545710984554,
4.147632392580466,
2.317969951667179
],
[
0,
0,
4.95202776
]
] | [
40,
40,
27,
27,
27,
42
] | [
1,
1,
1
] | -0.24469 | 0 | 0.0235 | 166 | 166 | [
"Co",
"Mo",
"Zr"
] |
mp-573267 | mp-573267 | YbNiGe2 | # generated using pymatgen
data_YbNiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.14824365
_cell_length_b 9.14824365
_cell_length_c 9.14824365
_cell_angle_alpha 153.20399543
_cell_angle_beta 123.95325337
_cell_angle_gamma 63.18356360
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_YbNiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23955200
_cell_length_b 8.59627000
_cell_length_c 15.58498600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3490636876397955,
5.578867873152465,
-3.484591071539437
],
[
0.9301242256472411,
2.2140750572823498,
3.904856766344263
],
[
1.8130753519028808,
1.9483128862114871,
-1.5365726918789446
],
[
2.2320148138954354,
5.313105702081602,
0.22222312023735408
],... | [
[
4.124168173910482,
0,
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],
[
-0.9620291343678049,
7.527180759363952,
-4.038800271311296
],
[
0,
0,
9.14824365
]
] | [
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70,
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70,
28,
28,
28,
28,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.623676 | 0 | 0 | 71 | 71 | [
"Ge",
"Ni",
"Yb"
] |
mp-557146 | mp-557146 | TiAs2O7 | # generated using pymatgen
data_TiAs2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36042498
_cell_length_b 5.36042498
_cell_length_c 9.58269959
_cell_angle_alpha 80.87933585
_cell_angle_beta 80.87933585
_cell_angle_gamma 98.23351067
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiAs2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01700800
_cell_length_b 8.10544401
_cell_length_c 9.58269959
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.01547455
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
4.791349795
],
[
3.8722214717856596,
2.924067076497461,
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],
[
2.211516019767071,
4.318965650329708,
5.510753359804389
],
[
2.1672361055039895,
0.8941858030390818,
2.372539542298933
],
[
0.50653... | [
[
5.292651527683551,
0,
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],
[
-0.9138994024124908,
5.2131514533687895,
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],
[
0,
0,
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]
] | [
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33,
33,
33,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.17587 | 2.6248 | 0.015957 | 15 | 15 | [
"As",
"O",
"Ti"
] |
mp-1209285 | mp-1209285 | PrSbIr | # generated using pymatgen
data_PrSbIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60646600
_cell_length_b 7.50069100
_cell_length_c 8.02946200
_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_PrSbIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60646600
_cell_length_b 7.50069100
_cell_length_c 8.02946200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1516164999999998,
3.876612132294,
1.5293957155260005
],
[
3.4548495,
3.624078867706,
6.500066284474001
],
[
3.4548494999999995,
7.374424367705999,
5.5441267155260014
],
[
1.1516165,
0.12626663229399998,
2.4853352844740004
],
[
1.151616499999999... | [
[
4.606466,
0,
2.820646921140556e-16
],
[
-4.59284861227168e-16,
7.500691,
4.59284861227168e-16
],
[
0,
0,
8.029462
]
] | [
59,
59,
59,
59,
51,
51,
51,
51,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.848957 | 0 | 0.037119 | 62 | 62 | [
"Ir",
"Pr",
"Sb"
] |
mp-31143 | mp-31143 | Er2SnAu2 | # generated using pymatgen
data_Er2SnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90007300
_cell_length_b 7.90007300
_cell_length_c 7.45169300
_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_Er2SnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90007300
_cell_length_b 7.90007300
_cell_length_c 7.45169300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
7.451693,
1.453044626744,
1.4530446267440007
],
[
3.7258465,
2.496991873256,
5.403081126744
],
[
3.7258464999999994,
5.4030811267439995,
2.496991873256001
],
[
7.451693,
6.447028373256,
6.447028373256001
],
[
7.451693,
2.7068889127929996,
... | [
[
7.451693,
0,
4.562845990339368e-16
],
[
-4.837399556240214e-16,
7.900073,
4.837399556240214e-16
],
[
0,
0,
7.900073
]
] | [
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68,
68,
68,
68,
68,
68,
68,
50,
50,
50,
50,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.839085 | 0 | 0.027365 | 136 | 136 | [
"Au",
"Er",
"Sn"
] |
mp-977580 | mp-977580 | MgSc2Al | # generated using pymatgen
data_MgSc2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89498629
_cell_length_b 4.89498629
_cell_length_c 4.89498629
_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_MgSc2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92255600
_cell_length_b 6.92255600
_cell_length_c 6.92255600
_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
],
[
4.239182478316542,
2.997554677104821,
7.342479435000001
],
[
1.413060826105514,
0.9991848923682732,
2.447493144999999
],
[
2.826121652211028,
1.9983697847365474,
4.894986289999999
]
] | [
[
4.239182478316542,
0,
2.447493145
],
[
1.413060826105514,
3.9967395694730947,
2.4474931450000006
],
[
0,
0,
4.89498629
]
] | [
12,
21,
21,
13
] | [
1,
1,
1
] | -0.284411 | 0 | 0 | 225 | 225 | [
"Mg",
"Sc",
"Al"
] |
mp-1215632 | mp-1215632 | YbTe4Pb3 | # generated using pymatgen
data_YbTe4Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00090266
_cell_length_b 8.00090266
_cell_length_c 7.99847068
_cell_angle_alpha 80.31711839
_cell_angle_beta 80.31711839
_cell_angle_gamma 33.51620936
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbTe4Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.32221801
_cell_length_b 4.61382800
_cell_length_c 7.99847068
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.11676735
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
1.6249543396524018,
0.9506962981370735,
5.396366018473502
],
[
0.3938923597754401,
2.9037351753315774,
1.3080905065204589
],
[
3.6188916531725743,
4.970373823045668,
4.0171974583672325
],
[
2.387829673295613,
6.923412700240172,
... | [
[
4.4178814252387095,
0,
-1.3303129493877621
],
[
-0.4050974122906951,
7.874108998377246,
-1.345301745724548
],
[
0,
0,
8.00090266
]
] | [
70,
52,
52,
52,
52,
82,
82,
82
] | [
1,
1,
1
] | -0.918557 | 1.2686 | 0.013145 | 12 | 12 | [
"Pb",
"Te",
"Yb"
] |
mp-1220032 | mp-1220032 | Pr2FeSn4 | # generated using pymatgen
data_Pr2FeSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70137517
_cell_length_b 8.70137517
_cell_length_c 4.62107900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 148.97699018
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr2FeSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65405000
_cell_length_b 16.76888601
_cell_length_c 4.62107900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.3105395000000004,
4.032708662997486,
5.828772087872317
],
[
7.331900202342203e-17,
0.45592916708290177,
1.6427464740161837
],
[
2.3105395000000004,
3.139299703686641,
2.6097536005214157
],
[
2.3105395,
1.1582431430880868,
4.173235618013021
],
[
... | [
[
4.621079,
0,
2.829594802978526e-16
],
[
7.211681472200599e-16,
4.484534481030246,
-1.2446412779033187
],
[
0,
0,
8.70137517
]
] | [
59,
59,
26,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.497143 | 0 | 0.051331 | 38 | 38 | [
"Fe",
"Pr",
"Sn"
] |
mp-1225311 | mp-1225311 | DyBeCu4 | # generated using pymatgen
data_DyBeCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06439412
_cell_length_b 5.06439412
_cell_length_c 3.85787800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000160
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyBeCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06439412
_cell_length_b 5.06439412
_cell_length_c 3.85787800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8578780000000013,
2.9239292613228356,
8.165151034810573e-8
],
[
3.8578780000000004,
1.461964630661418,
2.5321971008257558
],
[
0,
0,
0
],
[
1.928939000000001,
2.8795805642517216,
2.532199672610121
],
[
1.9289390000000002,
0.7531588568132124... | [
[
3.857878,
0,
2.3622689721004965e-16
],
[
1.679169607166581e-15,
4.385893891984254,
-2.532196937522735
],
[
0,
0,
5.06439412
]
] | [
66,
4,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.154482 | 0 | 0.043683 | 187 | 187 | [
"Be",
"Cu",
"Dy"
] |
mp-1114653 | mp-1114653 | KRb2AlCl6 | # generated using pymatgen
data_KRb2AlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54934352
_cell_length_b 7.54934352
_cell_length_c 7.54934352
_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_KRb2AlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.67638399
_cell_length_b 10.67638399
_cell_length_c 10.67638399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.358615513476957,
3.0820065861644403,
7.549343519999999
],
[
2.1793077567384773,
1.5410032930822188,
3.774671759999999
],
[
6.537923270215435,
4.623009879246662,
11.32401528
],
[
0,
0,
0
],
[
3.1371701778267145,
4.8093911455383695,
5.433... | [
[
6.537923270215436,
0,
3.774671759999999
],
[
2.179307756738477,
6.164013172328883,
3.7746717600000004
],
[
0,
0,
7.549343519999999
]
] | [
19,
37,
37,
13,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.162106 | 4.6728 | 0.049439 | 225 | 225 | [
"Al",
"Cl",
"K",
"Rb"
] |
mp-570498 | mp-570498 | Pr4C2Cl5 | # generated using pymatgen
data_Pr4C2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.84202762
_cell_length_b 9.84202762
_cell_length_c 9.84202762
_cell_angle_alpha 157.00315714
_cell_angle_beta 132.62318081
_cell_angle_gamma 53.29464303
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Pr4C2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92383800
_cell_length_b 7.90831600
_cell_length_c 17.59329600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.1424376142525943,
4.831127460872995,
0.6898749241156457
],
[
1.0563189988225923,
2.3819651450779786,
5.1927060452485625
],
[
3.6593131485999884,
2.0732519946358834,
8.146607946269969
],
[
-0.4605565355248016,
5.139840611315091,
-2.2640269769057615
],... | [
[
3.8450873443634395,
0,
-0.7821815403439571
],
[
-0.6463307312882528,
7.2130926059509735,
-3.1772651102918323
],
[
0,
0,
9.842027619999998
]
] | [
59,
59,
59,
59,
6,
6,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.859949 | 0 | 0 | 71 | 71 | [
"C",
"Cl",
"Pr"
] |
mp-1217616 | mp-1217616 | TbAgSn | # generated using pymatgen
data_TbAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53857000
_cell_length_b 4.82601076
_cell_length_c 4.82601076
_cell_angle_alpha 60.02516072
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82601076
_cell_length_b 4.82601076
_cell_length_c 3.53857000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.769285,
0.00020484485059489636,
4.825656138152782
],
[
3.53857,
2.787152481253349,
0.0009680093020651366
],
[
3.53857,
1.3931498288968645,
2.4142275770676918
]
] | [
[
3.53857,
0,
2.1667492120294248e-16
],
[
-2.5598223530921736e-16,
4.180507155000808,
-2.4111697954774622
],
[
0,
0,
4.82601076
]
] | [
65,
47,
50
] | [
1,
1,
1
] | -0.541365 | 0 | 0.062472 | 187 | 187 | [
"Ag",
"Sn",
"Tb"
] |
mp-568959 | mp-568959 | La4As3 | # generated using pymatgen
data_La4As3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98437837
_cell_length_b 7.98437837
_cell_length_c 7.98437837
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La4As3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.21956600
_cell_length_b 9.21956600
_cell_length_c 9.21956600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.365412339481749,
4.15425409501804,
0.9654923239620188
],
[
4.796919441144944,
4.338431593434113e-16,
-1.6959671332425528
],
[
-1.881936030027111,
3.2596088198788196,
3.757171669433509
],
[
3.247348369508859,
5.624572364618419,
-1.6959671329996502
],
... | [
[
7.5277441201084425,
0,
-2.661459457846675
],
[
-3.763872060054222,
6.519217639757639,
-2.6614594560766625
],
[
0,
0,
7.98437837
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -1.330446 | 0 | 0.009856 | 220 | 220 | [
"As",
"La"
] |
mp-22237 | mp-22237 | CeMgCu2 | # generated using pymatgen
data_CeMgCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60134914
_cell_length_b 4.60134914
_cell_length_c 8.41293600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998765
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeMgCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60134914
_cell_length_b 4.60134914
_cell_length_c 8.41293600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.0584625768059988e-15,
2.6565899993123794,
2.1032340000000005
],
[
2.300674999467333,
1.3282949996561892,
6.3097020000000015
],
[
0,
0,
4.206468
],
[
0,
0,
0
],
[
2.300674999467333,
1.3282949996561892,
3.4567660342320012
],
[
-1... | [
[
4.601349998934666,
0,
1.3034563700328418e-15
],
[
-2.3006749994673337,
3.9848849989685684,
2.8175137480302133e-16
],
[
0,
0,
8.412936
]
] | [
58,
58,
12,
12,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.12129 | 0 | 0.021635 | 194 | 194 | [
"Ce",
"Cu",
"Mg"
] |
mp-1002571 | mp-1002571 | NaMn2O4 | # generated using pymatgen
data_NaMn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01549300
_cell_length_b 5.15293693
_cell_length_c 5.86204607
_cell_angle_alpha 106.94053110
_cell_angle_beta 91.05598670
_cell_angle_gamma 93.35809724
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaMn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01549300
_cell_length_b 5.15293693
_cell_length_c 5.86204607
_cell_angle_alpha 106.94053110
_cell_angle_beta 91.05598670
_cell_angle_gamma 93.35809724
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5074904306071704,
0,
2.9032361695765805
],
[
0,
0,
0
],
[
1.3427069634402036,
2.4591548407146875,
-0.7785155977078648
],
[
1.1725530223984375,
3.8554678775821682,
3.6302688838378145
],
[
0.026178099872342306,
1.2247574768695428,
4.37231... | [
[
3.0149808612143407,
0,
-0.05557373084683862
],
[
-0.3295669343339337,
4.918309681429375,
-1.501457464568891
],
[
0,
0,
5.86204607
]
] | [
11,
25,
25,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.975768 | 0.545 | 0.005136 | 2 | 2 | [
"Mn",
"Na",
"O"
] |
mp-976256 | mp-976256 | Li3Mg | # generated using pymatgen
data_Li3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84400955
_cell_length_b 4.84400955
_cell_length_c 4.84400955
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_Li3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85046400
_cell_length_b 6.85046400
_cell_length_c 6.85046400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
4.195035326474427,
2.966337926667189,
7.266014324999999
],
[
2.796690217649618,
1.9775586177781252,
4.844009549999999
],
[
1.39834510882481,
0.988779308889062,
2.4220047750000004
],
[
0,
0,
0
]
] | [
[
4.195035326474427,
0,
2.4220047749999996
],
[
1.3983451088248082,
3.955117235556253,
2.4220047749999996
],
[
0,
0,
4.84400955
]
] | [
3,
3,
3,
12
] | [
1,
1,
1
] | -0.027404 | 0 | 0.00643 | 225 | 225 | [
"Li",
"Mg"
] |
mp-1448 | mp-1448 | NdGa | # generated using pymatgen
data_NdGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09513968
_cell_length_b 6.09513968
_cell_length_c 4.18605900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.86513415
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NdGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48109800
_cell_length_b 11.33678400
_cell_length_c 4.18605900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
1.04651475,
0.5857677996208795,
1.481941037192778
],
[
3.1395442500000006,
3.581588719049877,
2.9659649156127497
],
[
1.0465147500000003,
1.788150171813842,
4.52386273535236
],
[
3.1395442500000006,
2.3792063468569147,
-0.07595678254683222
]
] | [
[
4.186059,
0,
2.5632218776959853e-16
],
[
6.701620406952021e-16,
4.167356518670757,
-1.6472337271944728
],
[
0,
0,
6.09513968
]
] | [
60,
60,
31,
31
] | [
1,
1,
1
] | -0.588182 | 0 | 0 | 63 | 63 | [
"Ga",
"Nd"
] |
mp-19741 | mp-19741 | CeNiC2 | # generated using pymatgen
data_CeNiC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76805523
_cell_length_b 3.76805523
_cell_length_c 3.82281600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.76606169
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeNiC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54762200
_cell_length_b 6.00933399
_cell_length_c 3.82281600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.740530703247055,
0.0208294535479631,
3.8228160000000004
],
[
1.8517319329427098,
1.4501963088125827,
1.9114080000000002
],
[
-0.05994137975602767,
2.0257223783013845,
1.9114080000000002
],
[
0.7784364471517373,
3.13357443369318,
1.9114080000000002
]
... | [
[
3.7680552300000003,
0,
2.307268388214972e-16
],
[
-1.0238192047049475,
3.626297623252631,
2.3072683882149716e-16
],
[
0,
0,
3.822816
]
] | [
58,
28,
6,
6
] | [
1,
1,
1
] | -0.23368 | 0 | 0.004639 | 38 | 38 | [
"Ce",
"Ni",
"C"
] |
mp-1301681 | mp-1301681 | Zn(NiO2)2 | # generated using pymatgen
data_Zn(NiO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67497444
_cell_length_b 5.99167078
_cell_length_c 5.67491058
_cell_angle_alpha 61.73170575
_cell_angle_beta 89.99991486
_cell_angle_gamma 118.26906320
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Zn(NiO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67494251
_cell_length_b 5.67494251
_cell_length_c 8.89832710
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.9710554450429306,
2.990503703850375,
-1.1896566854626376
],
[
2.5818624683914875,
1.7942945666329928,
1.8059565733587506
],
[
1.0538757510607308,
4.784793485685097,
1.9602142788827668
],
[
-1.4451678564822583,
4.784793485685097,
3.3041319740047004
],... | [
[
4.998087215085978,
0,
-2.6878353902438663
],
[
-1.44516930165156,
4.784798270483368,
-2.687340933216188
],
[
0,
0,
5.991476211356167
]
] | [
30,
30,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.229059 | 0 | 0.00122 | 141 | 141 | [
"Ni",
"O",
"Zn"
] |
mp-779909 | mp-779909 | V6O7F5 | # generated using pymatgen
data_V6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61223700
_cell_length_b 5.61919234
_cell_length_c 7.36335495
_cell_angle_alpha 72.36632581
_cell_angle_beta 72.78913633
_cell_angle_gamma 71.72972467
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61223700
_cell_length_b 5.61919234
_cell_length_c 7.36335495
_cell_angle_alpha 72.36632581
_cell_angle_beta 72.78913633
_cell_angle_gamma 71.72972467
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.543174280154094,
3.6684114645389743,
8.542712977131188
],
[
2.18902802918072,
1.7946888381980433,
6.053006741629505
],
[
4.412400115129823,
3.2568969702410633,
4.572114742168052
],
[
2.16363547770247,
1.7879357212681932,
2.3155526622256186
],
[
... | [
[
5.360933804469652,
0,
1.6606001590580273
],
[
1.316915345048308,
5.1907124749039575,
1.7022222330728158
],
[
0,
0,
7.36335495
]
] | [
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.762637 | 1.1463 | 0.024595 | 1 | 1 | [
"F",
"O",
"V"
] |
mp-557618 | mp-557618 | Rb4CuSi2O7 | # generated using pymatgen
data_Rb4CuSi2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37319556
_cell_length_b 7.21984356
_cell_length_c 7.29564571
_cell_angle_alpha 114.54805955
_cell_angle_beta 100.23258755
_cell_angle_gamma 108.12025477
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Rb4CuSi2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37319556
_cell_length_b 7.21984356
_cell_length_c 7.55393585
_cell_angle_alpha 106.98509693
_cell_angle_beta 112.01594557
_cell_angle_gamma 108.12025477
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.8035038672350527,
0.4593962615004731,
4.619741732782258
],
[
1.645109260019443,
5.470057144032435,
-1.4557890477875626
],
[
4.553065945461223,
2.7068073385325833,
-0.8050822967787806
],
[
-1.104452818206728,
3.222646067000324,
3.9690349817734765
],
... | [
[
6.271828164253663,
0,
-1.132163028931009
],
[
-2.8232150369991675,
5.929453405532907,
-2.999529996074295
],
[
0,
0,
7.29564571
]
] | [
37,
37,
37,
37,
29,
14,
14,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.39686 | 0.8405 | 0 | 2 | 2 | [
"Cu",
"O",
"Rb",
"Si"
] |
mp-1220208 | mp-1220208 | Nd3Y | # generated using pymatgen
data_Nd3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65047964
_cell_length_b 3.65047964
_cell_length_c 11.91347300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999347
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Nd3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65047964
_cell_length_b 3.65047964
_cell_length_c 11.91347300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8252400001528377,
1.0538026667421916,
11.913473
],
[
0,
0,
3.0210661372320016
],
[
0,
0,
8.892406862767999
],
[
-2.2851202411215827e-16,
2.1076053334843836,
5.956736500000001
]
] | [
[
3.6504800003056745,
0,
1.0340968218408903e-15
],
[
-1.8252400001528373,
3.1614080002265754,
2.235274103239291e-16
],
[
0,
0,
11.913473
]
] | [
60,
60,
60,
39
] | [
1,
1,
1
] | 0.000812 | 0 | 0.000812 | 187 | 187 | [
"Nd",
"Y"
] |
mp-982635 | mp-982635 | Tm3Al2 | # generated using pymatgen
data_Tm3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.12053600
_cell_length_b 8.12053600
_cell_length_c 7.49716100
_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_Tm3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.12053600
_cell_length_b 8.12053600
_cell_length_c 7.49716100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8742902499999998,
4.060268,
3.6338688826080087e-16
],
[
1.8742902499999996,
8.120536,
4.060268000000001
],
[
5.62287075,
8.120536,
4.060268000000001
],
[
5.622870750000001,
4.060268,
5.929212437943602e-16
],
[
-1.7367777392038737e-16,
2.836... | [
[
7.497161,
0,
4.590687110671185e-16
],
[
-4.972394209880425e-16,
8.120536,
4.972394209880425e-16
],
[
0,
0,
8.120536
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.326939 | 0 | 0 | 136 | 136 | [
"Al",
"Tm"
] |
mp-1223104 | mp-1223104 | La3Nd(GaO3)4 | # generated using pymatgen
data_La3Nd(GaO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86027500
_cell_length_b 5.55603500
_cell_length_c 5.55702540
_cell_angle_alpha 89.90036947
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_La3Nd(GaO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55603500
_cell_length_b 7.86027500
_cell_length_c 5.55702540
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.09963053
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.935946103443842,
5.520290673251818,
7.860275000000001
],
[
5.419645818671537,
2.7416710336140784,
3.9301375000000003
],
[
2.6241406301324486,
0.04650111824424745,
3.9301375
],
[
0.19759025264254101,
2.8314890993623782,
7.860275
],
[
2.791614809... | [
[
5.556035,
0,
3.402090239350332e-16
],
[
0.00966299981461693,
5.557016998595536,
3.40269668444527e-16
],
[
0,
0,
7.860275
]
] | [
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57,
60,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.084562 | 3.4257 | 0.040065 | 6 | 6 | [
"Ga",
"La",
"Nd",
"O"
] |
mp-3904 | mp-3904 | Mg2GeO4 | # generated using pymatgen
data_Mg2GeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90429495
_cell_length_b 5.90429495
_cell_length_c 5.90429495
_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_Mg2GeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34993399
_cell_length_b 8.34993399
_cell_length_c 8.34993399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.113269418136173,
1.8078137397989396,
5.90429495
],
[
2.556634709068086,
1.80781373979894,
7.380368687500001
],
[
3.4088462787574474,
4.21823205953086,
5.90429495
],
[
2.556634709068086,
1.80781373979894,
4.4282212125000004
],
[
5.11326941813617... | [
[
5.113269418136173,
0,
2.952147475
],
[
1.7044231393787233,
4.82083663946384,
2.952147475
],
[
0,
0,
5.904294950000001
]
] | [
12,
12,
12,
12,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.728967 | 3.0801 | 0.000345 | 227 | 227 | [
"Ge",
"Mg",
"O"
] |
mp-12065 | mp-12065 | Ag3Pt | # generated using pymatgen
data_Ag3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10400400
_cell_length_b 4.10400400
_cell_length_c 4.10400400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_Ag3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10400400
_cell_length_b 4.10400400
_cell_length_c 4.10400400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
-1.2564888405719835e-16,
2.052002,
2.052002
],
[
2.052002,
2.052002,
2.512977681143967e-16
],
[
2.052002,
0,
2.052002
],
[
0,
0,
0
]
] | [
[
4.104004,
0,
2.512977681143967e-16
],
[
-2.512977681143967e-16,
4.104004,
2.512977681143967e-16
],
[
0,
0,
4.104004
]
] | [
47,
47,
47,
78
] | [
1,
1,
1
] | 0.012627 | 0 | 0.0303 | 221 | 221 | [
"Ag",
"Pt"
] |
mp-22114 | mp-22114 | ErSiRh | # generated using pymatgen
data_ErSiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22441400
_cell_length_b 6.84521900
_cell_length_c 7.39847900
_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_ErSiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22441400
_cell_length_b 6.84521900
_cell_length_c 7.39847900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0561034999999999,
3.4291672198020002,
5.107554774608
],
[
3.1683105000000005,
3.416051780198,
2.290924225392
],
[
1.0561035,
0.006557719802,
5.990163725392001
],
[
3.1683105,
6.838661280198,
1.4083152746080005
],
[
1.0561034999999999,
2.011... | [
[
4.224414,
0,
2.5867075416866336e-16
],
[
-4.191487768906323e-16,
6.845219,
4.191487768906323e-16
],
[
0,
0,
7.398479
]
] | [
68,
68,
68,
68,
14,
14,
14,
14,
45,
45,
45,
45
] | [
1,
1,
1
] | -1.046893 | 0 | 0 | 62 | 62 | [
"Er",
"Rh",
"Si"
] |
mp-21158 | mp-21158 | CeAlPd | # generated using pymatgen
data_CeAlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18294539
_cell_length_b 7.18294539
_cell_length_c 4.17949800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999434
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeAlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18294539
_cell_length_b 7.18294539
_cell_length_c 4.17949800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.089749000000002,
6.220613536522203,
0.558092693459581
],
[
2.089749000000001,
3.5936297782082685,
-2.07478335648241
],
[
2.0897490000000007,
2.6269837583139366,
1.516689434008329
],
[
4.179498000000002,
6.220613536522204,
-1.915297088023799
],
[
... | [
[
4.179498,
0,
2.559204423871382e-16
],
[
2.3816046274050182e-15,
6.220613536522204,
-3.5914733095072497
],
[
0,
0,
7.18294539
]
] | [
58,
58,
58,
13,
13,
13,
46,
46,
46
] | [
1,
1,
1
] | -0.782567 | 0 | 0 | 189 | 189 | [
"Ce",
"Al",
"Pd"
] |
mp-755539 | mp-755539 | LiFe2O2F3 | # generated using pymatgen
data_LiFe2O2F3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17614300
_cell_length_b 8.16463100
_cell_length_c 8.33058400
_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_LiFe2O2F3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17614300
_cell_length_b 8.16463100
_cell_length_c 8.33058400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.9803301966186735e-16,
3.2341246439340003,
1.4345765483040003
],
[
-3.019064413565954e-16,
4.930506356066,
5.599868548304
],
[
1.5880714999999996,
6.189206694181,
8.260198895784
],
[
-4.494530745475133e-16,
7.340125738465,
2.7477098430560005
],
[
... | [
[
3.176143,
0,
1.944826679292136e-16
],
[
-4.999394610184627e-16,
8.164631,
4.999394610184627e-16
],
[
0,
0,
8.330584
]
] | [
3,
3,
26,
26,
26,
26,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.324788 | 2.0132 | 0.070146 | 26 | 26 | [
"F",
"Fe",
"Li",
"O"
] |
mp-753846 | mp-753846 | Mg(GaO2)2 | # generated using pymatgen
data_Mg(GaO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94650222
_cell_length_b 5.94650222
_cell_length_c 5.94650247
_cell_angle_alpha 60.15490955
_cell_angle_beta 60.15490955
_cell_angle_gamma 60.15490659
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mg(GaO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96042019
_cell_length_b 5.96042019
_cell_length_c 14.54882050
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
6.038193464286668,
4.274658560765793,
10.425883165270838
],
[
3.4490238801159196,
2.4416904729244058,
5.955277885844581
],
[
5.9670338051296685,
2.446662256264438,
7.408085283793164
],
[
4.2904234382883555,
4.814967844957551,
7.408085283793164
],
[
... | [
[
5.157841878656868,
0,
2.959316780481318
],
[
1.7139008504081115,
4.864758649737616,
2.959316780481318
],
[
0,
0,
5.94650247
]
] | [
12,
12,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.515638 | 2.3585 | 0.021742 | 160 | 160 | [
"Ga",
"Mg",
"O"
] |
mp-30984 | mp-30984 | S(IO3)2 | # generated using pymatgen
data_S(IO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02577144
_cell_length_b 8.02577144
_cell_length_c 10.51337680
_cell_angle_alpha 59.64537306
_cell_angle_beta 59.64537306
_cell_angle_gamma 34.50080876
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_S(IO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.32950999
_cell_length_b 4.76005800
_cell_length_c 10.51337680
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.94824513
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.163795880631129,
5.595397698493757,
5.0701020494146025
],
[
1.3053170684416695,
1.8651325661645843,
7.89472894138689
],
[
2.912697960448625,
3.1801330911435284,
3.8883708447588976
],
[
0.7602793447410467,
0.5501320411856416,
2.707895755155408
],
[
... | [
[
4.607245038864143,
0,
1.1964302327006646
],
[
1.8618679102086564,
7.460530264658344,
2.299335395755006
],
[
0,
0,
9.469065362345823
]
] | [
16,
16,
53,
53,
53,
53,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.197014 | 1.9691 | 0 | 15 | 15 | [
"I",
"O",
"S"
] |
mp-21901 | mp-21901 | SrIn4Ir | # generated using pymatgen
data_SrIn4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42268800
_cell_length_b 7.76795500
_cell_length_c 8.76522200
_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_SrIn4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42268800
_cell_length_b 7.76795500
_cell_length_c 8.76522200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.876503258915773e-16,
4.697686322159999,
6.5739165
],
[
-1.879997354419566e-16,
3.0702686778399997,
2.1913055
],
[
2.2113439999999995,
5.371719545465,
3.7931673509440005
],
[
2.211344,
0.44614472747,
2.1913055
],
[
2.211344,
2.3962354545349... | [
[
4.422688,
0,
2.7081153514137046e-16
],
[
-4.756500613335339e-16,
7.767955,
4.756500613335339e-16
],
[
0,
0,
8.765222
]
] | [
38,
38,
49,
49,
49,
49,
49,
49,
49,
49,
77,
77
] | [
1,
1,
1
] | -0.346493 | 0 | 0 | 51 | 51 | [
"In",
"Ir",
"Sr"
] |
mp-1111196 | mp-1111196 | K2TlSbCl6 | # generated using pymatgen
data_K2TlSbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02595047
_cell_length_b 8.02595047
_cell_length_c 8.02595047
_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_K2TlSbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.35040801
_cell_length_b 11.35040801
_cell_length_c 11.35040801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.3168923321785484,
1.6382902793625689,
4.012975234999999
],
[
6.9506769965356545,
4.914870838087706,
12.038925705
],
[
4.633784664357103,
3.276580558725137,
8.02595047
],
[
0,
0,
0
],
[
3.4012164787767705,
5.019695203322441,
5.8910797487... | [
[
6.9506769965356545,
0,
4.012975235000001
],
[
2.316892332178552,
6.5531611174502755,
4.012975235000001
],
[
0,
0,
8.02595047
]
] | [
19,
19,
81,
51,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.654809 | 1.9531 | 0.069216 | 225 | 225 | [
"Cl",
"K",
"Sb",
"Tl"
] |
mp-1120741 | mp-1120741 | Cs2HfCl6 | # generated using pymatgen
data_Cs2HfCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56657006
_cell_length_b 7.56657006
_cell_length_c 7.56657006
_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_Cs2HfCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.70074600
_cell_length_b 10.70074600
_cell_length_c 10.70074600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.184280630491581,
1.5445196458350252,
3.7832850299999987
],
[
6.552841891474742,
4.633558937505074,
11.34985509
],
[
0,
0,
0
],
[
6.72146835614869,
4.752795854163537,
7.566570059999999
],
[
5.545014808565927,
1.4252827291765608,
5.528892... | [
[
6.552841891474744,
0,
3.783285030000001
],
[
2.1842806304915796,
6.178078583340098,
3.7832850300000005
],
[
0,
0,
7.566570059999998
]
] | [
55,
55,
72,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.433925 | 4.2586 | 0 | 225 | 225 | [
"Cl",
"Cs",
"Hf"
] |
mp-1223463 | mp-1223463 | KCNO | # generated using pymatgen
data_KCNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63786136
_cell_length_b 5.63786136
_cell_length_c 5.63786136
_cell_angle_alpha 113.94316830
_cell_angle_beta 113.57853911
_cell_angle_gamma 101.19588709
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KCNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14588800
_cell_length_b 6.17593800
_cell_length_c 7.15735800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KC... | [
[
1.6435789814691562,
3.494621447521008,
3.1097175387026756
],
[
3.1203729137537435,
1.1567004440120683,
0.8381215292329139
],
[
1.3063785712294558,
0.006859460224294955,
3.6611645378995807
],
[
-0.2003651377497086,
2.344775787891227,
0.27542762486679034
... | [
[
5.152714653783143,
0,
-2.288014951623178
],
[
-2.9535878645691755,
4.675842007017878,
-1.094669341060476
],
[
0,
0,
5.63786136
]
] | [
19,
19,
6,
6,
7,
7,
8,
8
] | [
1,
1,
1
] | -1.241733 | 4.6965 | 0.010795 | 46 | 46 | [
"C",
"K",
"N",
"O"
] |
mp-1210773 | mp-1210773 | MnGaNi | # generated using pymatgen
data_MnGaNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12874074
_cell_length_b 4.12874074
_cell_length_c 5.16619400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99997977
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnGaNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12874074
_cell_length_b 4.12874074
_cell_length_c 5.16619400
_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
],
[
0,
0,
2.583097
],
[
-3.7483875272104723e-16,
2.3837293346904334,
1.2915485000000007
],
[
2.064371001235589,
1.1918646673452165,
3.8746455000000006
],
[
-3.7483875272104723e-16,
2.3837293346904334,
3.8746455000000006
],
[
... | [
[
4.128742002471178,
0,
1.1695774206676734e-15
],
[
-2.0643710012355894,
3.5755940020356496,
2.528124565875137e-16
],
[
0,
0,
5.166194
]
] | [
25,
25,
31,
31,
28,
28
] | [
1,
1,
1
] | -0.257366 | 0 | 0.011155 | 194 | 194 | [
"Ga",
"Mn",
"Ni"
] |
mp-567130 | mp-567130 | Nd(SiIr)2 | # generated using pymatgen
data_Nd(SiIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87033690
_cell_length_b 5.87033690
_cell_length_c 5.87033690
_cell_angle_alpha 138.90596107
_cell_angle_beta 138.90596107
_cell_angle_gamma 59.51827163
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Nd(SiIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12069400
_cell_length_b 4.12069400
_cell_length_c 10.19231000
_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
],
[
1.246135036945519,
1.4354415218210097,
3.324619666656791
],
[
2.0703295503125436,
2.3848434658061644,
-0.3468116516438544
],
[
2.7583930976678164,
0.9550712469067933,
1.4889040075796218
],
[
0.5580714895902453,
2.865213740720381,... | [
[
3.858553901706602,
0,
-1.4462644423472248
],
[
-0.54208931444854,
3.820284987627174,
-1.4462644426398403
],
[
0,
0,
5.8703369
]
] | [
60,
14,
14,
77,
77
] | [
1,
1,
1
] | -1.034699 | 0 | 0 | 139 | 139 | [
"Ir",
"Nd",
"Si"
] |
mp-1176813 | mp-1176813 | LiFeSnO4 | # generated using pymatgen
data_LiFeSnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11577600
_cell_length_b 5.18555700
_cell_length_c 9.91613400
_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_LiFeSnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11577600
_cell_length_b 5.18555700
_cell_length_c 9.91613400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.557888,
1.145219892336,
9.335623683372
],
[
1.5578879999999997,
4.040337107664,
4.377556683372
],
[
1.557888,
1.2652136813160002,
3.4781038327680003
],
[
1.5578879999999997,
3.9203433186840004,
8.436170832768
],
[
-8.556218287533686e-17,
1.... | [
[
3.115776,
0,
1.9078625526300716e-16
],
[
-3.175237890923076e-16,
5.185557,
3.175237890923076e-16
],
[
0,
0,
9.916134
]
] | [
3,
3,
26,
26,
50,
50,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.998408 | 2.1542 | 0.01631 | 26 | 26 | [
"Fe",
"Li",
"O",
"Sn"
] |
mp-1226840 | mp-1226840 | CdIn2SeS3 | # generated using pymatgen
data_CdIn2SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90651569
_cell_length_b 7.90651569
_cell_length_c 7.90651569
_cell_angle_alpha 120.23447302
_cell_angle_beta 119.75869297
_cell_angle_gamma 90.00641233
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CdIn2SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87847800
_cell_length_b 7.93533600
_cell_length_c 11.18087601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.6730272308239569,
2.4821573470166016,
4.995005656312591
],
[
6.270193444790554,
0.7988802302673919,
4.901235808652702
],
[
4.002948869369994,
1.5933665286717784,
8.846841241095198
],
[
5.14824605196341,
4.832296131533728,
6.853721118717803
],
[
... | [
[
6.831008131591537,
0,
3.9252698723846073
],
[
2.2882329088249262,
6.471180946986611,
3.9243850043725654
],
[
0,
0,
7.906515690259519
]
] | [
48,
48,
49,
49,
49,
49,
34,
34,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.850091 | 1.2832 | 0.018446 | 44 | 44 | [
"Cd",
"In",
"S",
"Se"
] |
mp-1104162 | mp-1104162 | Mn2ZnS4 | # generated using pymatgen
data_Mn2ZnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16220398
_cell_length_b 7.16220398
_cell_length_c 7.16220398
_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_Mn2ZnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.12888600
_cell_length_b 10.12888600
_cell_length_c 10.12888600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.101325296883007,
2.192968148091357,
8.952754975
],
[
3.101325296883007,
2.192968148091357,
5.371652985
],
[
4.13510039584401,
5.116925678879832,
7.162203980000001
],
[
6.2026505937660135,
2.1929681480913574,
7.16220398
],
[
6.2026505937660135,
... | [
[
6.202650593766014,
0,
3.581101989999999
],
[
2.0675501979220043,
5.84791506157695,
3.5811019900000005
],
[
0,
0,
7.162203979999999
]
] | [
25,
25,
25,
25,
30,
30,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.881522 | 0 | 0.025206 | 227 | 227 | [
"Mn",
"S",
"Zn"
] |
mp-18751 | mp-18751 | Mn2ZnO4 | # generated using pymatgen
data_Mn2ZnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80359443
_cell_length_b 5.80359243
_cell_length_c 6.23523538
_cell_angle_alpha 117.67059116
_cell_angle_beta 117.66893906
_cell_angle_gamma 90.12464979
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mn2ZnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80359343
_cell_length_b 5.80359343
_cell_length_c 9.39657900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7490543695515735,
0.6172053927943253,
3.3289250287579613
],
[
1.0353687700857852,
3.086051652384843,
-1.1362483315913021
],
[
1.035373910012985,
3.0860516523848434,
1.9813583656042904
],
[
3.605337510331173,
3.086051652384843,
-2.4837332588794103
],
... | [
[
5.139927200636373,
0,
-2.6949644646472897
],
[
-1.4273580643610482,
4.937682643815749,
-2.6951154656139007
],
[
0,
0,
6.235231254782622
]
] | [
25,
25,
25,
25,
30,
30,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.982325 | 0.947 | 0 | 141 | 141 | [
"Mn",
"O",
"Zn"
] |
mp-570456 | mp-570456 | Eu(CoAs)2 | # generated using pymatgen
data_Eu(CoAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23686604
_cell_length_b 6.23686604
_cell_length_c 6.23686604
_cell_angle_alpha 143.02002558
_cell_angle_beta 143.02002558
_cell_angle_gamma 53.29525062
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu(CoAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95590600
_cell_length_b 3.95590600
_cell_length_c 11.14879399
_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
],
[
2.708891384651568,
0.9320419930099046,
1.8638612397005165
],
[
0.6232770816796576,
2.796125979029715,
1.863861239931124
],
[
1.2011334383845516,
1.3438777962092334,
3.5918953653175394
],
[
2.131035027946674,
2.3842901758303863,
... | [
[
3.7516985361375235,
0,
-1.254571780414787
],
[
-0.4195300698062977,
3.7281679720396204,
-1.254571779953572
],
[
0,
0,
6.23686604
]
] | [
63,
27,
27,
33,
33
] | [
1,
1,
1
] | -0.672179 | 0 | 0 | 139 | 139 | [
"As",
"Co",
"Eu"
] |
mp-978929 | mp-978929 | SrAcZn2 | # generated using pymatgen
data_SrAcZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53745927
_cell_length_b 5.53745927
_cell_length_c 5.53745927
_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_SrAcZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83115000
_cell_length_b 7.83115000
_cell_length_c 7.83115000
_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
],
[
3.197053600161089,
2.2606582804907718,
5.537459270000001
],
[
4.795580400241633,
3.390987420736157,
8.306188905
],
[
1.5985268000805444,
1.1303291402453868,
2.7687296350000015
]
] | [
[
4.795580400241633,
0,
2.7687296350000006
],
[
1.5985268000805435,
4.521316560981543,
2.7687296350000006
],
[
0,
0,
5.53745927
]
] | [
38,
89,
30,
30
] | [
1,
1,
1
] | -0.231757 | 0 | 0 | 225 | 225 | [
"Sr",
"Ac",
"Zn"
] |
mp-1072113 | mp-1072113 | NbSe2 | # generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48813207
_cell_length_b 3.48813207
_cell_length_c 13.87313700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000125
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48813207
_cell_length_b 3.48813207
_cell_length_c 13.87313700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7440660020480643,
1.0069370011333358,
10.40485275
],
[
-3.788584230808096e-17,
2.0138740022666717,
3.4682842500000004
],
[
1.7440660020480643,
1.0069370011333358,
1.7780644767420006
],
[
-3.788584230808096e-17,
2.0138740022666717,
12.095072523258
],
... | [
[
3.4881320040961277,
0,
9.881073774668707e-16
],
[
-1.7440660020480638,
3.020811003400008,
2.1358648872643653e-16
],
[
0,
0,
13.873137
]
] | [
41,
41,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.153874 | 0 | 0.00213 | 194 | 194 | [
"Nb",
"Se"
] |
mp-30662 | mp-30662 | Zn3Ga4Pd7 | # generated using pymatgen
data_Zn3Ga4Pd7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95678963
_cell_length_b 6.95678963
_cell_length_c 6.95678978
_cell_angle_alpha 113.65112705
_cell_angle_beta 113.65112705
_cell_angle_gamma 113.65111813
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Zn3Ga4Pd7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.64578436
_cell_length_b 11.64578436
_cell_length_c 5.35718352
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.6918762705127603,
2.5728216979286223,
-0.7221858804875454
],
[
-0.22349773351410646,
4.7648553499406985,
-0.9772414157745397
],
[
-1.3673677788684697,
4.308107673181102,
1.6726009839525389
],
[
2.8451568892962187,
0.9928671992855143,
3.826226048464234
... | [
[
5.177686678322564,
0,
-1.3751276113496391
],
[
-2.5888437047998867,
5.822892360525211,
-2.790830483195043
],
[
0,
0,
6.956789629999999
]
] | [
30,
30,
30,
31,
31,
31,
31,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.606275 | 0 | 0.019345 | 146 | 146 | [
"Ga",
"Pd",
"Zn"
] |
mp-23353 | mp-23353 | Cu2HgI4 | # generated using pymatgen
data_Cu2HgI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67149480
_cell_length_b 7.67149480
_cell_length_c 7.67149480
_cell_angle_alpha 132.28374580
_cell_angle_beta 132.28374580
_cell_angle_gamma 69.78124876
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cu2HgI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20583000
_cell_length_b 6.20583000
_cell_length_c 12.58501800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.5862906217027475,
4.174434302362529,
1.3256547151556148
],
[
3.979123915099458,
1.3914781007875097,
1.325654714926567
],
[
2.2827072684011034,
2.7829562015750193,
-2.5100926849589085
],
[
3.4841898383470498,
0.5486375514909018,
3.7768405133525222
],
... | [
[
5.675540561797814,
0,
-2.510092685187957
],
[
-1.1101260249956078,
5.565912403150039,
-2.5100926847298606
],
[
0,
0,
7.6714948
]
] | [
29,
29,
80,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.445614 | 0.8462 | 0 | 121 | 121 | [
"Cu",
"Hg",
"I"
] |
mp-1189420 | mp-1189420 | TbGePd | # generated using pymatgen
data_TbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.47226148
_cell_length_b 11.47226148
_cell_length_c 11.47226148
_cell_angle_alpha 157.75321892
_cell_angle_beta 141.06582403
_cell_angle_gamma 45.29713730
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42651600
_cell_length_b 7.64661400
_cell_length_c 21.17513599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.110455670044319,
3.34310871359459,
9.433726359505254
],
[
2.827744147319558,
0.9418419149577971,
2.9098014008085147
],
[
1.0498390129291517,
5.743864876781597,
5.339534930482859
],
[
2.1476945793871383,
0.34428336593229614,
10.92328451294492
],
[
... | [
[
4.343359410826618,
0,
-0.8539747776230274
],
[
-0.5010471281840377,
7.19204858851674,
-2.5483513315973436
],
[
0,
0,
11.47226148
]
] | [
65,
65,
65,
65,
65,
65,
32,
32,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.985925 | 0 | 0 | 44 | 44 | [
"Ge",
"Pd",
"Tb"
] |
mp-12684 | mp-12684 | LaAl | # generated using pymatgen
data_LaAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12466442
_cell_length_b 6.12466442
_cell_length_c 5.77126700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.34015400
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LaAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76344000
_cell_length_b 9.47497000
_cell_length_c 5.77126700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La... | [
[
4.3284502499999995,
2.918349177327092,
4.570998324845121
],
[
1.442816749999999,
3.086744000211633,
0.349352935427814
],
[
4.3284502499999995,
5.055603874865367,
1.9625639013771994
],
[
1.4428167499999993,
0.9494893026733581,
2.9577873588957346
],
[
... | [
[
5.771267,
0,
3.5338818292873736e-16
],
[
-3.6770590692272043e-16,
6.0050931775387255,
-1.2043131597270662
],
[
0,
0,
6.12466442
]
] | [
57,
57,
57,
57,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.411507 | 0 | 0 | 63 | 63 | [
"La",
"Al"
] |
mp-20801 | mp-20801 | LiIn2Pd | # generated using pymatgen
data_LiIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69490194
_cell_length_b 4.69490194
_cell_length_c 4.69490194
_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_LiIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63959400
_cell_length_b 6.63959400
_cell_length_c 6.63959400
_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
],
[
4.065904348316846,
2.87502853635071,
7.04235291
],
[
1.355301449438948,
0.9583428454502355,
2.3474509699999997
],
[
2.7106028988778976,
1.9166856909004728,
4.694901939999999
]
] | [
[
4.065904348316844,
0,
2.3474509699999997
],
[
1.3553014494389493,
3.8333713818009474,
2.3474509699999997
],
[
0,
0,
4.69490194
]
] | [
3,
49,
49,
46
] | [
1,
1,
1
] | -0.450474 | 0 | 0 | 225 | 225 | [
"Li",
"In",
"Pd"
] |
mp-768908 | mp-768908 | Ho2TeO2 | # generated using pymatgen
data_Ho2TeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89467792
_cell_length_b 3.89467792
_cell_length_c 7.20659200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999871
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ho2TeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89467792
_cell_length_b 3.89467792
_cell_length_c 7.20659200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9473389979698832,
1.1242966654521385,
5.004740326464
],
[
2.9995717036361973e-16,
2.2485933309042774,
2.2018516735360008
],
[
0,
0,
0
],
[
1.9473389979698832,
1.1242966654521385,
2.7423316603520003
],
[
2.9995717036361973e-16,
2.24859333090... | [
[
3.894677995939765,
0,
1.103272483990521e-15
],
[
-1.9473389979698814,
3.372889996356416,
2.3848024242189354e-16
],
[
0,
0,
7.206592
]
] | [
67,
67,
52,
8,
8
] | [
1,
1,
1
] | -3.256005 | 0.5838 | 0.079295 | 164 | 164 | [
"Ho",
"O",
"Te"
] |
mp-1184617 | mp-1184617 | Ho2ZnAu | # generated using pymatgen
data_Ho2ZnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05635230
_cell_length_b 5.05635230
_cell_length_c 5.05635230
_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_Ho2ZnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15076200
_cell_length_b 7.15076200
_cell_length_c 7.15076200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.378929542283875,
3.096370773687033,
7.584528450000001
],
[
1.4596431807612933,
1.0321235912290105,
2.5281761500000006
],
[
0,
0,
0
],
[
2.919286361522583,
2.064247182458022,
5.0563523
]
] | [
[
4.378929542283875,
0,
2.5281761500000006
],
[
1.4596431807612908,
4.128494364916044,
2.5281761500000006
],
[
0,
0,
5.0563523
]
] | [
67,
67,
30,
79
] | [
1,
1,
1
] | -0.60784 | 0 | 0.01335 | 225 | 225 | [
"Au",
"Ho",
"Zn"
] |
mp-1206589 | mp-1206589 | Dy2FeSi2 | # generated using pymatgen
data_Dy2FeSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64348872
_cell_length_b 5.64348872
_cell_length_c 9.98260158
_cell_angle_alpha 62.94281937
_cell_angle_beta 62.94281937
_cell_angle_gamma 43.02764010
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Dy2FeSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.50060400
_cell_length_b 4.13922400
_cell_length_c 9.98260158
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.27124247
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.3447607720585815,
3.5312650705288786,
4.365950313187509
],
[
0.6446992588015711,
1.7143202199529457,
6.243115963718235
],
[
3.7932921187668787,
1.4034563444684105,
1.9415315767212504
],
[
2.1961679120932738,
3.842128946013411,
8.667534700184495
],
... | [
[
4.027242908080995,
0,
0.9562896443228069
],
[
1.9622171227791583,
5.245585290481824,
0.6946249751630253
],
[
0,
0,
8.958151657419913
]
] | [
66,
66,
66,
66,
26,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.671717 | 0 | 0.013932 | 12 | 12 | [
"Dy",
"Fe",
"Si"
] |
mp-1222811 | mp-1222811 | LaY(B2Rh3)2 | # generated using pymatgen
data_LaY(B2Rh3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12983100
_cell_length_b 5.50221168
_cell_length_c 9.53520546
_cell_angle_alpha 89.99999996
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_LaY(B2Rh3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12983100
_cell_length_b 5.50221168
_cell_length_c 9.53520546
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-3.3690723166782914e-16,
5.50211264018976,
3.841201220234767e-9
],
[
-1.6846069101313283e-16,
2.7511718665401603,
4.7676027319206815
],
[
-3.3689577661576146e-16,
5.50192556499264,
3.1832902058402306
],
[
-1.684448560882158e-16,
2.7509132625912,
7.943846... | [
[
3.129831,
0,
1.9164687580110796e-16
],
[
-3.3691329610715907e-16,
5.50221168,
3.841270363101302e-9
],
[
0,
0,
9.53520546
]
] | [
57,
39,
5,
5,
5,
5,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.677693 | 0 | 0.021526 | 47 | 47 | [
"B",
"La",
"Rh",
"Y"
] |
mvc-14941 | mvc-14941 | MoO3 | # generated using pymatgen
data_MoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40001800
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.86537190
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo... | # generated using pymatgen
data_MoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40001800
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.86537190
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo... | [
[
2.77681614826627,
5.379635748011129,
7.6888620857902135
],
[
5.322816370549479,
2.6165949665155925,
7.783231285895969
],
[
5.382530969639839,
2.6463266526884826,
3.8073791196738322
],
[
2.694468516369832,
5.418098296863423,
3.867653911311296
],
[
... | [
[
5.399362169595907,
0,
0.0841579577971236
],
[
0.2019606398603139,
5.43640266463525,
0.04516519519751725
],
[
0,
0,
7.79665768
]
] | [
42,
42,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.914604 | 1.8444 | 0.00997 | 1 | 1 | [
"Mo",
"O"
] |
mp-19079 | mp-19079 | CoO | # generated using pymatgen
data_CoO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02407964
_cell_length_b 3.01182816
_cell_length_c 5.31619339
_cell_angle_alpha 107.29495123
_cell_angle_beta 89.50258333
_cell_angle_gamma 120.03784374
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CoO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28911407
_cell_length_b 4.28911407
_cell_length_c 4.28911407
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoO... | [
[
2.1176280368882066,
1.2900157924207145,
1.8091537447918233
],
[
0,
0,
0
],
[
1.0580615900594068,
0.6374277634140932,
3.5412478200797053
],
[
0.27842087596633086,
1.9426038214273358,
0.8945071824227326
]
] | [
[
2.898773607750676,
0,
-0.8174475129187909
],
[
-1.5622911417249379,
2.580031584841429,
-0.020591452934776905
],
[
0,
0,
5.273793968356006
]
] | [
27,
27,
8,
8
] | [
1,
1,
1
] | -1.247466 | 0 | 0.036915 | 225 | 225 | [
"Co",
"O"
] |
mp-1206870 | mp-1206870 | MnCu2GeTe4 | # generated using pymatgen
data_MnCu2GeTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40334636
_cell_length_b 7.40334636
_cell_length_c 7.40334636
_cell_angle_alpha 131.23516615
_cell_angle_beta 131.23516615
_cell_angle_gamma 71.43971475
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_MnCu2GeTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11257200
_cell_length_b 6.11257200
_cell_length_c 12.02127599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
0.5340424428765621,
4.086483765583191,
1.1782510280795644
],
[
3.8896102133663204,
1.3621612551943973,
1.1782510280612986
],
[
2.2118263281214414,
2.7243225103887947,
-2.5234221519295694
],
[
1.7013368115910128,
2.095548874991061... | [
[
5.567394098611199,
0,
-2.523422151947835
],
[
-1.143741442368317,
5.4486450207775885,
-2.523422151911303
],
[
0,
0,
7.40334636
]
] | [
25,
29,
29,
32,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.313186 | 0 | 0 | 121 | 121 | [
"Cu",
"Ge",
"Mn",
"Te"
] |
mp-23026 | mp-23026 | CsAuCl3 | # generated using pymatgen
data_CsAuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20683300
_cell_length_b 5.20683300
_cell_length_c 5.20683300
_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_CsAuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20683300
_cell_length_b 5.20683300
_cell_length_c 5.20683300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6034165,
2.6034165,
2.6034165000000002
],
[
0,
0,
0
],
[
0,
0,
2.6034165
],
[
2.6034165,
0,
1.5941328417862026e-16
],
[
-1.5941328417862026e-16,
2.6034165,
1.5941328417862026e-16
]
] | [
[
5.206833,
0,
3.1882656835724052e-16
],
[
-3.1882656835724052e-16,
5.206833,
3.1882656835724052e-16
],
[
0,
0,
5.206833
]
] | [
55,
79,
17,
17,
17
] | [
1,
1,
1
] | -1.343358 | 0 | 0.070644 | 221 | 221 | [
"Au",
"Cl",
"Cs"
] |
mp-977574 | mp-977574 | HoSbPd2 | # generated using pymatgen
data_HoSbPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81093251
_cell_length_b 4.81093251
_cell_length_c 4.81093251
_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_HoSbPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80368600
_cell_length_b 6.80368600
_cell_length_c 6.80368600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.777593179701621,
1.964054972744521,
4.810932509999998
],
[
0,
0,
0
],
[
4.166389769552432,
2.946082459116782,
7.216398764999999
],
[
1.3887965898508108,
0.9820274863722607,
2.4054662549999994
]
] | [
[
4.166389769552433,
0,
2.4054662549999994
],
[
1.38879658985081,
3.9281099454890427,
2.405466255
],
[
0,
0,
4.810932509999999
]
] | [
67,
51,
46,
46
] | [
1,
1,
1
] | -0.867342 | 0 | 0.028392 | 225 | 225 | [
"Ho",
"Pd",
"Sb"
] |
mp-16254 | mp-16254 | BaCuP | # generated using pymatgen
data_BaCuP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22061268
_cell_length_b 4.22061268
_cell_length_c 9.22467000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001070
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaCuP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22061268
_cell_length_b 4.22061268
_cell_length_c 9.22467000
_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,
4.612335
],
[
0,
0,
0
],
[
2.1103059986992108,
1.2183859991549348,
2.306167500000001
],
[
-7.483129670507802e-16,
2.4367719983098692,
6.918502500000001
],
[
-7.483129670507802e-16,
2.4367719983098692,
2.3061675000000004
],
[
... | [
[
4.220611997398422,
0,
1.1956020721570247e-15
],
[
-2.1103059986992116,
3.655157997464803,
2.5843799045013664e-16
],
[
0,
0,
9.22467
]
] | [
56,
56,
29,
29,
15,
15
] | [
1,
1,
1
] | -0.728387 | 0 | 0 | 194 | 194 | [
"Ba",
"Cu",
"P"
] |
mp-1105839 | mp-1105839 | Sm(CoB)4 | # generated using pymatgen
data_Sm(CoB)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01641900
_cell_length_b 7.01641900
_cell_length_c 3.80176400
_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_Sm(CoB)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01641900
_cell_length_b 7.01641900
_cell_length_c 3.80176400
_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
],
[
1.9008819999999997,
3.5082095,
3.5082095000000004
],
[
3.3956557677559998,
2.6921368225290006,
0.9993134760750003
],
[
3.3956557677559993,
4.324282177471,
6.017105523925001
],
[
1.4947737677559998,
2.5088960239249998,
6.20034... | [
[
3.801764,
0,
2.327909056856819e-16
],
[
-4.296317534913336e-16,
7.016419,
4.296317534913336e-16
],
[
0,
0,
7.016419
]
] | [
62,
62,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.485972 | 0 | 0 | 86 | 86 | [
"B",
"Co",
"Sm"
] |
mp-10711 | mp-10711 | VSi2 | # generated using pymatgen
data_VSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56470073
_cell_length_b 4.56470073
_cell_length_c 6.37175500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001054
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56470073
_cell_length_b 4.56470073
_cell_length_c 6.37175500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
3.423525002091133,
1.9765735013906607,
5.309793709415001
],
[
1.5856593817302853e-15,
3.953147002781321,
1.061961290585001
],
[
1.1411750006970454,
1.9765735013906602,
3.185877500000001
],
[
-1.1673261670130155,
3.3093849196723877,
3.1858775000000006
]... | [
[
4.564700002788177,
0,
1.2930742710945129e-15
],
[
-2.2823500013940876,
3.9531470027813214,
2.7950730690300434e-16
],
[
0,
0,
6.371755
]
] | [
23,
23,
23,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.436723 | 0 | 0 | 180 | 180 | [
"V",
"Si"
] |
mp-1472 | mp-1472 | ZrB2 | # generated using pymatgen
data_ZrB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18049075
_cell_length_b 3.18049075
_cell_length_c 3.54548400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001556
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_ZrB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18049075
_cell_length_b 3.18049075
_cell_length_c 3.54548400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
0,
0,
0
],
[
1.5902450009912612,
0.9181286673118115,
1.7727420000000007
],
[
-4.368690601802642e-17,
1.8362573346236233,
1.7727420000000005
]
] | [
[
3.1804900019825215,
0,
9.009594909906238e-16
],
[
-1.590245000991261,
2.7543860019354347,
1.9474889083526324e-16
],
[
0,
0,
3.545484
]
] | [
40,
5,
5
] | [
1,
1,
1
] | -0.987356 | 0 | 0 | 191 | 191 | [
"Zr",
"B"
] |
mp-1186482 | mp-1186482 | Pm2NiPt | # generated using pymatgen
data_Pm2NiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01197569
_cell_length_b 5.01197569
_cell_length_c 5.01197569
_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_Pm2NiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08800400
_cell_length_b 7.08800400
_cell_length_c 7.08800400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.3404982706900395,
3.0691957609334115,
7.517963534999999
],
[
1.4468327568966806,
1.023065253644472,
2.505987845000002
],
[
2.8936655137933593,
2.046130507288942,
5.011975690000001
],
[
0,
0,
0
]
] | [
[
4.34049827069004,
0,
2.5059878449999995
],
[
1.4468327568966792,
4.092261014577881,
2.505987844999999
],
[
0,
0,
5.01197569
]
] | [
61,
61,
28,
78
] | [
1,
1,
1
] | -0.662757 | 0 | 0 | 225 | 225 | [
"Ni",
"Pm",
"Pt"
] |
mp-1215406 | mp-1215406 | ZnCdTe2 | # generated using pymatgen
data_ZnCdTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84912223
_cell_length_b 7.84912223
_cell_length_c 7.84912209
_cell_angle_alpha 33.56921608
_cell_angle_beta 33.56921608
_cell_angle_gamma 33.56921263
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZnCdTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53325420
_cell_length_b 4.53325420
_cell_length_c 22.19971370
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.1550736450627177,
1.9321631115390208,
5.237982041470523
],
[
0.0038255330284898085,
0.0023427515903436955,
7.836439001489459
],
[
0.818575689445996,
0.5012947173595166,
5.1352341573896645
],
[
3.9134760988196624,
2.396607815434584,
2.7235911380391937
... | [
[
4.3401247035232355,
0,
1.309088654355535
],
[
1.9726360695622576,
3.865926716738772,
1.309088654355535
],
[
0,
0,
7.84912209
]
] | [
30,
48,
52,
52
] | [
1,
1,
1
] | -0.652842 | 0.6574 | 0.023885 | 160 | 160 | [
"Cd",
"Te",
"Zn"
] |
mp-1212716 | mp-1212716 | EuCN2 | # generated using pymatgen
data_EuCN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93023800
_cell_length_b 12.34301400
_cell_length_c 5.40831500
_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_EuCN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93023800
_cell_length_b 5.40831500
_cell_length_c 12.34301400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9825594999999995,
2.0704706397650003,
4.558361471297999
],
[
2.9476785000000003,
3.3378443602350005,
7.784652528702
],
[
2.9476785,
4.774628139765,
1.6131455287019985
],
[
0.9825594999999996,
0.6336868602349999,
10.729868471298001
],
[
0.982559... | [
[
3.930238,
0,
2.4065766932936477e-16
],
[
-3.311637826765309e-16,
5.408315,
3.311637826765309e-16
],
[
0,
0,
12.343014
]
] | [
63,
63,
63,
63,
6,
6,
6,
6,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.982026 | 0.4575 | 0 | 62 | 62 | [
"C",
"Eu",
"N"
] |
mp-1246382 | mp-1246382 | YMg2Mn3S8 | # generated using pymatgen
data_YMg2Mn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49228983
_cell_length_b 7.49326802
_cell_length_c 7.49408799
_cell_angle_alpha 59.24789382
_cell_angle_beta 59.24695545
_cell_angle_gamma 59.23732041
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_YMg2Mn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40728309
_cell_length_b 7.40728309
_cell_length_c 18.45871625
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.308690088938462,
3.0304286719936693,
7.406102808783369
],
[
1.0855133218785078,
0.7640360038456341,
5.583539414061915
],
[
7.531854615188967,
5.296536489531457,
9.228702743317827
],
[
5.39785735140879,
6.060639160541191,
5.490091894141593
],
[
... | [
[
6.438914562548573,
0,
3.6596086697996575
],
[
2.1784173047982383,
6.060651281843754,
3.6602722298442436
],
[
0,
0,
7.49228983
]
] | [
39,
12,
12,
25,
25,
25,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.28248 | 0 | 0.073329 | 166 | 166 | [
"Mg",
"Mn",
"S",
"Y"
] |
mp-862712 | mp-862712 | Sc2CoIr | # generated using pymatgen
data_Sc2CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50322509
_cell_length_b 4.50322509
_cell_length_c 4.50322509
_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_Sc2CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36852200
_cell_length_b 6.36852200
_cell_length_c 6.36852200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.899907326899465,
2.757650916849713,
6.7548376349999995
],
[
1.2999691089664893,
0.9192169722832363,
2.2516125450000004
],
[
2.5999382179329773,
1.8384339445664744,
4.50322509
],
[
0,
0,
0
]
] | [
[
3.899907326899465,
0,
2.2516125449999995
],
[
1.2999691089664875,
3.676867889132952,
2.2516125449999995
],
[
0,
0,
4.50322509
]
] | [
21,
21,
27,
77
] | [
1,
1,
1
] | -0.725839 | 0 | 0 | 225 | 225 | [
"Sc",
"Co",
"Ir"
] |
mp-10193 | mp-10193 | LuPPt | # generated using pymatgen
data_LuPPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10550867
_cell_length_b 4.10550867
_cell_length_c 3.77986700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001084
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuPPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10550867
_cell_length_b 4.10550867
_cell_length_c 3.77986700
_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
],
[
1.8899335000000004,
1.1851581384363445,
2.0527545592244545
],
[
1.8899335000000008,
2.370316276872688,
4.484489098565227e-7
]
] | [
[
3.779867,
0,
2.314501011376354e-16
],
[
1.3612378056287756e-15,
3.555474415309032,
-2.052753662326635
],
[
0,
0,
4.10550867
]
] | [
71,
15,
78
] | [
1,
1,
1
] | -1.299521 | 0 | 0 | 187 | 187 | [
"Lu",
"P",
"Pt"
] |
mp-1020622 | mp-1020622 | SrZrO3 | # generated using pymatgen
data_SrZrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84256100
_cell_length_b 5.84256100
_cell_length_c 4.22497200
_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_SrZrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84256100
_cell_length_b 5.84256100
_cell_length_c 4.22497200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-3.5775368137365796e-16,
5.842561,
2.9212805000000004
],
[
-1.7887684068682896e-16,
2.9212805,
1.7887684068682898e-16
],
[
2.112486,
2.9212805,
2.9212805000000004
],
[
2.112486,
0,
1.2935246090717978e-16
],
[
-1.7887684068682893e-16,
2.921280... | [
[
4.224972,
0,
2.5870492181435957e-16
],
[
-3.5775368137365796e-16,
5.842561,
3.5775368137365796e-16
],
[
0,
0,
5.842561
]
] | [
38,
38,
40,
40,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.642496 | 3.4599 | 0.01975 | 127 | 127 | [
"Sr",
"Zr",
"O"
] |
mp-7431 | mp-7431 | Sr(ZnSb)2 | # generated using pymatgen
data_Sr(ZnSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56522987
_cell_length_b 4.56522987
_cell_length_c 7.76360300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999807
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr(ZnSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56522987
_cell_length_b 4.56522987
_cell_length_c 7.76360300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
-3.9099205366623963e-16,
2.6357366687271693,
4.926293356811001
],
[
2.2826150015883044,
1.3178683343635844,
2.8373096431890006
],
[
2.2826150015883044,
1.3178683343635844,
5.662368320844001
],
[
-3.9099205366623963e-16,
2.6357366... | [
[
4.56523000317661,
0,
1.2932244079853346e-15
],
[
-2.2826150015883053,
3.9536050030907535,
2.7953970738336934e-16
],
[
0,
0,
7.763603
]
] | [
38,
30,
30,
51,
51
] | [
1,
1,
1
] | -0.558483 | 0 | 0 | 164 | 164 | [
"Sr",
"Zn",
"Sb"
] |
mp-570613 | mp-570613 | CdI2 | # generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33200665
_cell_length_b 4.33200665
_cell_length_c 44.45199700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000998
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33200665
_cell_length_b 4.33200665
_cell_length_c 44.45199700
_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,
42.599593381016
],
[
0,
0,
27.782853740975998
],
[
2.1660029982634867,
1.2505426656348393,
12.964424925049999
],
[
0,
0,
20.374083852983002
],
[
2.1660029982634867,
1.2505426656348393,
35.191001301011
],
[
2.1660029982634867... | [
[
4.332005996526973,
0,
1.227157423908393e-15
],
[
-2.1660029982634863,
3.7516279969045185,
2.6525890389037745e-16
],
[
0,
0,
44.451997
]
] | [
48,
48,
48,
48,
48,
48,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.838346 | 1.9793 | 0.000763 | 156 | 156 | [
"Cd",
"I"
] |
mp-1002063 | mp-1002063 | SnS2 | # generated using pymatgen
data_SnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54368129
_cell_length_b 6.54368129
_cell_length_c 6.54368129
_cell_angle_alpha 125.49724173
_cell_angle_beta 125.49724173
_cell_angle_gamma 80.71604106
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99264200
_cell_length_b 5.99264200
_cell_length_c 9.97274000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn... | [
[
3.6422871029365096,
1.2841505840863867,
0.5278379547468152
],
[
0,
0,
0
],
[
4.141543446688729,
1.8899306440209622,
-1.7746939172612226
],
[
0.45162561613175195,
0.6420752920431932,
4.241149417997637
],
[
0.7511535403734516,
4.53082227641097,... | [
[
5.327495411048148,
0,
-2.744002690453925
],
[
-1.4133378213984034,
5.136602336345546,
-2.7440026896509706
],
[
0,
0,
6.543681290000001
]
] | [
50,
50,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.644831 | 1.8791 | 0.06525 | 122 | 122 | [
"S",
"Sn"
] |
mp-1225701 | mp-1225701 | CuPd | # generated using pymatgen
data_CuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53436894
_cell_length_b 4.53436894
_cell_length_c 4.53436871
_cell_angle_alpha 35.15770876
_cell_angle_beta 35.15770876
_cell_angle_gamma 35.15769753
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu... | # generated using pymatgen
data_CuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73892239
_cell_length_b 2.73892239
_cell_length_c 12.74909484
_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
],
[
1.892749150231567,
1.1659797358945723,
3.094388358257874
]
] | [
[
2.611021164434003,
0,
0.827204003257874
],
[
1.1744771360291313,
2.331959471789145,
0.8272040032578741
],
[
0,
0,
4.53436871
]
] | [
29,
46
] | [
1,
1,
1
] | -0.09214 | 0 | 0.030958 | 166 | 166 | [
"Cu",
"Pd"
] |
mp-1222971 | mp-1222971 | Li2Fe2P2O9F | # generated using pymatgen
data_Li2Fe2P2O9F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23588883
_cell_length_b 5.37110413
_cell_length_c 7.30319993
_cell_angle_alpha 106.04614725
_cell_angle_beta 107.68624419
_cell_angle_gamma 98.22347479
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Li2Fe2P2O9F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23588883
_cell_length_b 5.37110413
_cell_length_c 7.30319993
_cell_angle_alpha 106.04614725
_cell_angle_beta 107.68624419
_cell_angle_gamma 98.22347479
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
3.196405065142744,
1.9371676083771228,
0.42786273430130156
],
[
0.5199476387100518,
3.0829829386144523,
3.802906130372059
],
[
0.0305232949759492,
0.03943534597634368,
3.620010034512325
],
[
3.665033146918704,
4.987711149407434,
-3.018132221842236
],
... | [
[
4.9884116506990495,
0,
-1.5906857148062754
],
[
-1.2797809642458107,
5.000677907220857,
-1.484634880059859
],
[
0,
0,
7.30319993
]
] | [
3,
3,
26,
26,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -2.36194 | 0.1284 | 0.046727 | 1 | 1 | [
"F",
"Fe",
"Li",
"O",
"P"
] |
mp-1190048 | mp-1190048 | UGaPd2 | # generated using pymatgen
data_UGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70527700
_cell_length_b 6.95920000
_cell_length_c 7.59182100
_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_UGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70527700
_cell_length_b 6.95920000
_cell_length_c 7.59182100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9845235516799995,
5.2194,
0.3072409958700004
],
[
0.8681149483199996,
5.2194,
4.103151495870001
],
[
3.7207534483199995,
1.7398,
7.28458000413
],
[
4.83716205168,
1.7398,
3.4886695041300007
],
[
3.7589274567269992,
5.2194,
2.94287830879... | [
[
5.705277,
0,
3.4934746081495067e-16
],
[
-4.2612810023131303e-16,
6.9592,
4.2612810023131303e-16
],
[
0,
0,
7.591821
]
] | [
92,
92,
92,
92,
31,
31,
31,
31,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.448423 | 0 | 0.063312 | 62 | 62 | [
"Ga",
"Pd",
"U"
] |
mp-23283 | mp-23283 | Sm4Bi3 | # generated using pymatgen
data_Sm4Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29716596
_cell_length_b 8.29716596
_cell_length_c 8.29716596
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sm4Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.58074200
_cell_length_b 9.58074200
_cell_length_c 9.58074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.346245097943273,
5.795866522931191,
-1.7824303807155795
],
[
-1.955660772028077,
3.3873038187710924,
3.9644301475463455
],
[
3.3462450979432727,
0.9787411146109952,
2.36615259928442
],
[
1.1301528922257613,
6.287695799293169e-16,
-0.3995693870348625
... | [
[
7.822643088112308,
0,
-2.765721987892902
],
[
-3.9113215440561544,
6.774607637542185,
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],
[
0,
0,
8.29716596
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
83,
83,
83,
83,
83,
83
] | [
1,
1,
1
] | -0.80285 | 0 | 0.020598 | 220 | 220 | [
"Bi",
"Sm"
] |
mp-761710 | mp-761710 | LiFeCoO4 | # generated using pymatgen
data_LiFeCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84785554
_cell_length_b 5.84785577
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.15733700
_cell_angle_gamma 59.18492001
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LiFeCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77566316
_cell_length_b 5.92218000
_cell_length_c 8.26795998
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6740713545941104,
3.0353102214094663,
2.9000542019593922
],
[
5.051204532016034,
1.7792188458720009,
8.649114027898898
],
[
2.511142558923423,
3.663259709189795e-16,
1.4260905597404447
],
[
3.3626379433050717,
2.4072645336407335,
5.774584114929145
],... | [
[
5.022285117846845,
0,
2.8521811194808886
],
[
1.7029907687632992,
4.814529067281467,
2.8491313403774035
],
[
0,
0,
5.847855769999999
]
] | [
3,
3,
26,
26,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.572022 | 0.0274 | 0.051942 | 74 | 74 | [
"Co",
"Fe",
"Li",
"O"
] |
mp-12079 | mp-12079 | K(CoS)2 | # generated using pymatgen
data_K(CoS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88948311
_cell_length_b 6.88948311
_cell_length_c 6.88948311
_cell_angle_alpha 148.46015335
_cell_angle_beta 148.46015335
_cell_angle_gamma 45.20654355
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K(CoS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74478000
_cell_length_b 3.74478000
_cell_length_c 12.72058000
_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
],
[
0.6853969511415285,
2.694262645984942,
2.4270035745457856
],
[
2.631018613016663,
0.8980875486616474,
2.4270035749964523
],
[
2.174749455443427,
2.355694417190085,
0.8113458581656006
],
[
1.1416661087147648,
1.2366557774565046,
... | [
[
3.6038294439542295,
0,
-1.0177379797782138
],
[
-0.2874138797960385,
3.5923501946465906,
-1.0177379806795472
],
[
0,
0,
6.88948311
]
] | [
19,
27,
27,
16,
16
] | [
1,
1,
1
] | -0.827848 | 0 | 0 | 139 | 139 | [
"K",
"Co",
"S"
] |
mp-1212901 | mp-1212901 | Gd(Ga2Fe)4 | # generated using pymatgen
data_Gd(Ga2Fe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63889292
_cell_length_b 6.63889292
_cell_length_c 6.63889292
_cell_angle_alpha 98.43466338
_cell_angle_beta 98.43466338
_cell_angle_gamma 134.96194670
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Gd(Ga2Fe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67293800
_cell_length_b 8.67293800
_cell_length_c 5.08526200
_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
],
[
5.2115729226105625,
4.790492024302632,
7.346636859563621
],
[
1.834711551339769,
1.3422012500177616,
2.213664410724416
],
[
4.1834730425871705,
4.790492024302632,
3.1874671941249977
],
[
2.8628114313631614,
1.3422012500177616,
... | [
[
4.69752298283557,
0,
1.9476055669424468
],
[
2.348761491114762,
6.132693274320394,
0.9738027833455902
],
[
0,
0,
6.63889292
]
] | [
64,
31,
31,
31,
31,
31,
31,
31,
31,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.283875 | 0 | 0.026717 | 139 | 139 | [
"Fe",
"Ga",
"Gd"
] |
mp-1218759 | mp-1218759 | Sr2NdTlCu2O7 | # generated using pymatgen
data_Sr2NdTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85969500
_cell_length_b 3.87302700
_cell_length_c 12.31469900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Sr2NdTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85969500
_cell_length_b 3.87302700
_cell_length_c 12.31469900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.9298474999999997,
1.898306088645,
9.795751948948
],
[
1.9298474999999997,
1.898306088645,
2.5189470510520002
],
[
1.9298474999999997,
1.933875968613,
6.1573495
],
[
-2.1969661412867532e-16,
3.587917990422,
2.1969661412867532e-16
],
[
-2.3673735... | [
[
3.859695,
0,
2.3633815637175215e-16
],
[
-2.371545059280638e-16,
3.873027,
2.371545059280638e-16
],
[
0,
0,
12.314699
]
] | [
38,
38,
60,
81,
29,
29,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.220958 | 0 | 0.004092 | 25 | 25 | [
"Cu",
"Nd",
"O",
"Sr",
"Tl"
] |
mp-1222882 | mp-1222882 | LaMnAlNi3 | # generated using pymatgen
data_LaMnAlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23543277
_cell_length_b 5.23543277
_cell_length_c 3.92715200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000972
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_LaMnAlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23543277
_cell_length_b 5.23543277
_cell_length_c 3.92715200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
3.9271520000000004,
1.511339111513448,
2.6177166413926534
],
[
3.9271520000000013,
3.022678223026896,
5.127853055280178e-7
],
[
1.9635760000000009,
2.2647053864642253,
1.312847976468977
],
[
1.963576,
0.004606561611893065,
2.... | [
[
3.927152,
0,
2.404687063282563e-16
],
[
1.7358796847413358e-15,
4.534017334540343,
-2.617715615822042
],
[
0,
0,
5.23543277
]
] | [
57,
25,
13,
28,
28,
28
] | [
1,
1,
1
] | -0.35588 | 0 | 0.042025 | 187 | 187 | [
"Al",
"La",
"Mn",
"Ni"
] |
mp-1226571 | mp-1226571 | CeSm3S4 | # generated using pymatgen
data_CeSm3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96362040
_cell_length_b 6.96362040
_cell_length_c 6.96559282
_cell_angle_alpha 79.94758419
_cell_angle_beta 79.94758419
_cell_angle_gamma 33.32629337
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeSm3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.34239599
_cell_length_b 3.99355800
_cell_length_c 6.96559282
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.49793815
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
1.7458687922343518e-16,
3.2594707653635724,
4.613995431622181
],
[
1.9967789990132956,
0,
3.48279641
],
[
1.9967789990132951,
3.3000611488487173,
1.1361041671601664
],
[
1.9967789990132958,
1.6471509399140196,
5.7870197548420... | [
[
3.993557998026591,
0,
2.4453490097462883e-16
],
[
-1.996778999013297,
6.55953191421229,
-1.2154932212176535
],
[
0,
0,
6.96559282
]
] | [
58,
62,
62,
62,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.285647 | 0 | 0 | 12 | 12 | [
"Ce",
"S",
"Sm"
] |
mp-2856 | mp-2856 | Mn4Al11 | # generated using pymatgen
data_Mn4Al11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02630500
_cell_length_b 5.04655556
_cell_length_c 8.77362900
_cell_angle_alpha 105.29860316
_cell_angle_beta 90.08294985
_cell_angle_gamma 100.41452274
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mn4Al11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02630500
_cell_length_b 5.04655556
_cell_length_c 8.77362900
_cell_angle_alpha 105.29860316
_cell_angle_beta 90.08294985
_cell_angle_gamma 100.41452274
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.2997828864537495,
0.7158134021079522,
5.050619456029935
],
[
2.8123301659280866,
4.065296305593593,
2.384201388180267
],
[
2.781958723378842,
2.9211910958697365,
6.786563292421173
],
[
1.3301543290029942,
1.859918611831809,
0.6482575517890291
],
[
... | [
[
5.026299732497966,
0,
-0.007276820451721088
],
[
-0.9141866801161294,
4.781109707701545,
-1.3315313353380769
],
[
0,
0,
8.773629
]
] | [
25,
25,
25,
25,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.276991 | 0 | 0 | 2 | 2 | [
"Mn",
"Al"
] |
mp-8998 | mp-8998 | TaNiTe5 | # generated using pymatgen
data_TaNiTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20932037
_cell_length_b 7.20932037
_cell_length_c 15.25498000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.18024035
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TaNiTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70990800
_cell_length_b 13.93318999
_cell_length_c 15.25498000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.854953999179675,
0.1357510701199312,
11.441235
],
[
-9.485447250458997e-17,
6.830843927310612,
3.813745000000001
],
[
0,
0,
7.62749
],
[
0,
0,
0
],
[
-3.1180811950156867e-16,
5.581120383911541,
6.46930140844
],
[
-1.805921446126... | [
[
3.7099079983593497,
0,
1.0509314035700126e-15
],
[
-1.8549539991796749,
6.966594997430543,
4.414435557574156e-16
],
[
0,
0,
15.25498
]
] | [
73,
73,
28,
28,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.597136 | 0 | 0 | 63 | 63 | [
"Ni",
"Ta",
"Te"
] |
mp-1211132 | mp-1211132 | Li5OsO6 | # generated using pymatgen
data_Li5OsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11046988
_cell_length_b 5.11046988
_cell_length_c 5.04572718
_cell_angle_alpha 80.45166828
_cell_angle_beta 80.45166828
_cell_angle_gamma 120.32229648
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li5OsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08555400
_cell_length_b 8.86593199
_cell_length_c 5.04572718
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.47432733
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0741772248344565,
3.5019701591674965,
3.8350063872297175
],
[
5.195274913302212,
0.7154417575523558,
4.642826120125393
],
[
3.370576506348723,
2.87761184678054,
5.392031372487518
],
[
2.898875631787946,
1.339800069939313,
3.0858011348675927
],
[
... | [
[
4.975823802433532,
0,
0.8369828326355695
],
[
1.2936283357031366,
4.217411916719852,
2.530379794719541
],
[
0,
0,
5.11046988
]
] | [
3,
3,
3,
3,
3,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.046667 | 0 | 0.01294 | 12 | 12 | [
"Li",
"O",
"Os"
] |
mp-1208278 | mp-1208278 | Th(P3Ru)4 | # generated using pymatgen
data_Th(P3Ru)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01118925
_cell_length_b 7.01118925
_cell_length_c 7.01118925
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Th(P3Ru)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09582400
_cell_length_b 8.09582400
_cell_length_c 8.09582400
_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
],
[
2.827458955617802,
0.8251455809884158,
0.9887225817179496
],
[
0.4776473535947846,
4.899466469715178,
1.348340501097293
],
[
-1.43044340041459,
4.899466469715179,
-0.000883409621271207
],
[
4.735549709627176,
0.8251455809884158,
... | [
[
6.610212618425174,
0,
-2.3370630843695146
],
[
-3.3051063092125874,
5.724612050703596,
-2.3370630828152428
],
[
0,
0,
7.01118925
]
] | [
90,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.695407 | 0.087 | 0 | 204 | 204 | [
"P",
"Ru",
"Th"
] |
mp-1226768 | mp-1226768 | Cd4TeSe3 | # generated using pymatgen
data_Cd4TeSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46935185
_cell_length_b 6.26811400
_cell_length_c 8.96145981
_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_Cd4TeSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46935185
_cell_length_b 6.26811400
_cell_length_c 8.96145981
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-3.806521366334439e-16,
6.216521153666,
0.10471465787985036
],
[
2.234675925,
3.106107479674,
2.2403649525000002
],
[
-3.806521366334439e-16,
6.216521153666,
4.37601524712015
],
[
2.234675925,
3.2724757614619997,
6.7210948575
],
[
-9.484015291288... | [
[
4.46935185,
0,
2.7366887186829007e-16
],
[
-3.838112873395356e-16,
6.268114,
3.838112873395356e-16
],
[
0,
0,
8.96145981
]
] | [
48,
48,
48,
48,
52,
34,
34,
34
] | [
1,
1,
1
] | -0.80036 | 0.3725 | 0.00867 | 25 | 25 | [
"Cd",
"Se",
"Te"
] |
mp-1218155 | mp-1218155 | SrLaNiO4 | # generated using pymatgen
data_SrLaNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80885694
_cell_length_b 6.80885694
_cell_length_c 6.80885694
_cell_angle_alpha 147.03173116
_cell_angle_beta 147.03173116
_cell_angle_gamma 47.31680135
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrLaNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86402400
_cell_length_b 3.86402400
_cell_length_c 12.47320201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.2175176220734447,
1.3292341941579422,
4.114454024606315
],
[
2.1618222491249575,
2.3601860072748746,
0.49676073003245835
],
[
3.369856830499556,
3.679067019078027,
4.579167961835542
],
[
0.5518183073039917,
0.6024518657739596,
1.8648034444641441
],
... | [
[
3.7052062164357333,
0,
-1.096416155249289
],
[
-0.32444304394171114,
3.6909741015295614,
-1.0964161549710605
],
[
0,
0,
6.80885694
]
] | [
38,
57,
28,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.668879 | 0 | 0 | 107 | 107 | [
"La",
"Ni",
"O",
"Sr"
] |
mp-1025431 | mp-1025431 | SmPt | # generated using pymatgen
data_SmPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59087200
_cell_length_b 5.65514700
_cell_length_c 7.25311900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | # generated using pymatgen
data_SmPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59087200
_cell_length_b 5.65514700
_cell_length_c 7.25311900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | [
[
1.1477179999999998,
3.6050657301480005,
1.3239263173080003
],
[
3.443154,
2.0500812698520003,
5.929192682692
],
[
3.443154,
0.7774922301480001,
2.302633182692
],
[
1.1477179999999998,
4.877654769852,
4.950485817308
],
[
1.147718,
0.8601252381... | [
[
4.590872,
0,
2.811098350047604e-16
],
[
-3.4627788361288785e-16,
5.655147,
3.4627788361288785e-16
],
[
0,
0,
7.253119
]
] | [
62,
62,
62,
62,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.192994 | 0 | 0 | 62 | 62 | [
"Sm",
"Pt"
] |
mp-982725 | mp-982725 | Nb2RuW | # generated using pymatgen
data_Nb2RuW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54825648
_cell_length_b 4.54825648
_cell_length_c 4.54825648
_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_Nb2RuW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43220600
_cell_length_b 6.43220600
_cell_length_c 6.43220600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9389056546071894,
2.7852268988267808,
6.8223847200000005
],
[
1.31296855153573,
0.9284089662755943,
2.2741282399999996
],
[
2.6259371030714598,
1.856817932551187,
4.548256479999999
],
[
0,
0,
0
]
] | [
[
3.9389056546071894,
0,
2.2741282400000005
],
[
1.3129685515357299,
3.713635865102374,
2.2741282400000005
],
[
0,
0,
4.54825648
]
] | [
41,
41,
44,
74
] | [
1,
1,
1
] | -0.146414 | 0 | 0 | 225 | 225 | [
"Nb",
"Ru",
"W"
] |
mp-22053 | mp-22053 | FeCu2GeS4 | # generated using pymatgen
data_FeCu2GeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45308518
_cell_length_b 6.45308518
_cell_length_c 6.45308518
_cell_angle_alpha 131.13061360
_cell_angle_beta 131.13061360
_cell_angle_gamma 71.60564347
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_FeCu2GeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33871200
_cell_length_b 5.33871200
_cell_length_c 10.46735600
_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
],
[
3.3945604768362334,
1.1889619149737904,
1.0181534983730236
],
[
0.4625984763140288,
3.566885744921372,
1.018153498702353
],
[
1.9285794765751314,
2.377923829947581,
-2.2083890914623114
],
[
1.4492811907387735,
1.7869526880336888,... | [
[
4.860541477097336,
0,
-2.208389091791641
],
[
-1.0033825239470737,
4.755847659895163,
-2.208389091132982
],
[
0,
0,
6.4530851799999995
]
] | [
26,
29,
29,
32,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.580749 | 0 | 0.037367 | 121 | 121 | [
"Cu",
"Fe",
"Ge",
"S"
] |
mp-715923 | mp-715923 | WO3 | # generated using pymatgen
data_WO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85969000
_cell_length_b 3.86677200
_cell_length_c 7.72025200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WO3... | # generated using pymatgen
data_WO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85969000
_cell_length_b 3.86677200
_cell_length_c 7.72025200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WO3... | [
[
-2.5512128870885685e-18,
0.0416644683,
5.790189000000001
],
[
-2.342202847545419e-16,
3.8251075317,
1.9300630000000003
],
[
1.929845,
0.039974688936,
1.9300630000000003
],
[
1.9298449999999998,
3.8267973110640003,
5.790189000000001
],
[
-1.175911... | [
[
3.85969,
0,
2.363378502100524e-16
],
[
-2.367714976416305e-16,
3.866772,
2.367714976416305e-16
],
[
0,
0,
7.720252
]
] | [
74,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.183041 | 1.1701 | 0.001907 | 51 | 51 | [
"W",
"O"
] |
mp-11651 | mp-11651 | Yb3SnO | # generated using pymatgen
data_Yb3SnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76847500
_cell_length_b 4.76847500
_cell_length_c 4.76847500
_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_Yb3SnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76847500
_cell_length_b 4.76847500
_cell_length_c 4.76847500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3842375,
0,
2.3842375
],
[
2.3842375,
2.3842375,
2.919848822782087e-16
],
[
-1.4599244113910436e-16,
2.3842375,
2.3842375
],
[
0,
0,
0
],
[
2.3842375,
2.3842375,
2.3842375000000002
]
] | [
[
4.768475,
0,
2.919848822782087e-16
],
[
-2.919848822782087e-16,
4.768475,
2.919848822782087e-16
],
[
0,
0,
4.768475
]
] | [
70,
70,
70,
50,
8
] | [
1,
1,
1
] | -1.918273 | 0.4766 | 0 | 221 | 221 | [
"O",
"Sn",
"Yb"
] |
mp-2893 | mp-2893 | Dy(SiRh)2 | # generated using pymatgen
data_Dy(SiRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76449308
_cell_length_b 5.76449308
_cell_length_c 5.76449308
_cell_angle_alpha 138.69459964
_cell_angle_beta 138.69459964
_cell_angle_gamma 59.84083507
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy(SiRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06630200
_cell_length_b 4.06630200
_cell_length_c 9.99239200
_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
],
[
2.028876068091057,
2.3408693437543313,
-0.38179374450579723
],
[
1.2355227053774573,
1.4255169500085507,
3.2778972307956473
],
[
2.7185912998718473,
0.9415965734407205,
1.4480517432464584
],
[
0.5458074735966678,
2.82478972032216... | [
[
3.804983213009437,
0,
-1.434194796652008
],
[
-0.540584439540922,
3.7663862937628827,
-1.434194797058141
],
[
0,
0,
5.764493079999999
]
] | [
66,
14,
14,
45,
45
] | [
1,
1,
1
] | -1.12039 | 0 | 0 | 139 | 139 | [
"Dy",
"Si",
"Rh"
] |
mp-1183273 | mp-1183273 | Ba2NaIn | # generated using pymatgen
data_Ba2NaIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19310848
_cell_length_b 6.19310848
_cell_length_c 6.19310848
_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_Ba2NaIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75837801
_cell_length_b 8.75837801
_cell_length_c 8.75837801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.363389272072831,
3.79248892442588,
9.289662719999999
],
[
1.7877964240242776,
1.2641629748086287,
3.0965542400000006
],
[
0,
0,
0
],
[
3.575592848048554,
2.5283259496172543,
6.19310848
]
] | [
[
5.363389272072832,
0,
3.0965542399999992
],
[
1.7877964240242756,
5.056651899234506,
3.0965542400000006
],
[
0,
0,
6.193108479999999
]
] | [
56,
56,
11,
49
] | [
1,
1,
1
] | -0.212712 | 0 | 0.013706 | 225 | 225 | [
"Ba",
"In",
"Na"
] |
mp-1180746 | mp-1180746 | KMnF3 | # generated using pymatgen
data_KMnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04236790
_cell_length_b 6.04236790
_cell_length_c 6.04236790
_cell_angle_alpha 120.04698762
_cell_angle_beta 120.04698762
_cell_angle_gamma 89.91863430
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KMnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03807600
_cell_length_b 6.03807600
_cell_length_c 8.55126399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | [
[
3.4877347039173183,
1.2331001195962277,
0.004290380056704901
],
[
0.0024747067538908054,
3.699300358788683,
0.004290379866134013
],
[
0,
0,
0
],
[
1.745104705335605,
2.4662002391924553,
-3.01689357003858
],
[
2.6874929576712763,
3.64988757079... | [
[
5.230364702499032,
0,
-3.0168935698480093
],
[
-1.7401552918278227,
4.93240047838491,
-3.016893570229152
],
[
0,
0,
6.0423679
]
] | [
19,
19,
25,
25,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.019607 | 1.7405 | 0.001741 | 140 | 140 | [
"F",
"K",
"Mn"
] |
mp-1523003 | mp-1523003 | BaCaPrBiO6 | # generated using pymatgen
data_BaCaPrBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08101206
_cell_length_b 6.19295625
_cell_length_c 8.72082642
_cell_angle_alpha 90.15465876
_cell_angle_beta 89.53378232
_cell_angle_gamma 90.10799318
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaCaPrBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08101206
_cell_length_b 6.19295625
_cell_length_c 8.72082642
_cell_angle_alpha 89.84534124
_cell_angle_beta 89.53378232
_cell_angle_gamma 89.89200682
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.04071133275616376,
0.24970317385028434,
6.535794775679768
],
[
6.0516364753592296,
5.943219768028108,
2.2512291522791434
],
[
2.979567413127957,
3.3468681608356783,
6.541103836715663
],
[
3.112780394987436,
2.8460547810427146,
2.245920091243249
],
... | [
[
6.080810745208435,
0,
0.049480853095710785
],
[
0.011537062906957966,
6.192922941878393,
0.01671665486320096
],
[
0,
0,
8.72082642
]
] | [
56,
56,
20,
20,
59,
59,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.727396 | 1.6029 | 0.029304 | 2 | 2 | [
"Ba",
"Bi",
"Ca",
"O",
"Pr"
] |
mp-1104241 | mp-1104241 | Li2MgH4 | # generated using pymatgen
data_Li2MgH4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92492900
_cell_length_b 4.92362700
_cell_length_c 9.30054000
_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_Li2MgH4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92492900
_cell_length_b 4.92362700
_cell_length_c 9.30054000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4624644999999998,
4.837207498895999,
2.6921808111
],
[
1.4624645,
0.086419501104,
6.608359188900001
],
[
1.4624644999999998,
2.375393998896,
1.9580891889000003
],
[
1.4624644999999998,
2.5482330011039998,
7.3424508111
],
[
-1.5074260114363713e-... | [
[
2.924929,
0,
1.7910024687916343e-16
],
[
-3.0148520228727426e-16,
4.923627,
3.0148520228727426e-16
],
[
0,
0,
9.30054
]
] | [
3,
3,
3,
3,
12,
12,
1,
1,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.390313 | 3.8467 | 0.019009 | 55 | 55 | [
"H",
"Li",
"Mg"
] |
mp-1218118 | mp-1218118 | SrSm3Mn4O12 | # generated using pymatgen
data_SrSm3Mn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75984700
_cell_length_b 5.46675400
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_SrSm3Mn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46675400
_cell_length_b 7.75984700
_cell_length_c 5.65238137
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.30364248
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.7061642716554535,
3.054532259953583,
3.8799235
],
[
5.425660149266257,
5.34641636854151,
7.759847000000001
],
[
2.8239617488243143,
2.4933491086185073,
3.247844194163968e-16
],
[
0.08505930262025173,
0.31604281378418897,
3.8799234999999994
],
[
... | [
[
5.466754,
0,
3.347421393912995e-16
],
[
0.029954999789887058,
5.652301995639535,
3.4610853761653155e-16
],
[
0,
0,
7.759847
]
] | [
38,
62,
62,
62,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.866437 | 0 | 0.003685 | 6 | 6 | [
"Mn",
"O",
"Sm",
"Sr"
] |
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