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-5618 | mp-5618 | Mg2As2O7 | # generated using pymatgen
data_Mg2As2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46197930
_cell_length_b 5.46197930
_cell_length_c 4.84531105
_cell_angle_alpha 82.00590686
_cell_angle_beta 82.00590686
_cell_angle_gamma 105.36117493
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mg2As2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62273600
_cell_length_b 8.68747600
_cell_length_c 4.84531105
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.26130815
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.09763050388948,
1.6085384274476362,
2.9782917728881926
],
[
1.7303433932738608,
3.568171688370275,
0.3629518308855372
],
[
4.085502739275308,
1.2222989089963459,
0.34209896999200873
],
[
-0.2575288421119678,
3.954411206821565,
2.9991446337817202
],
... | [
[
4.798226310636981,
0,
-0.6738422984372062
],
[
-0.9702524134736398,
5.176710115817911,
-1.4468933977890646
],
[
0,
0,
5.4619793
]
] | [
12,
12,
33,
33,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.283722 | 3.058 | 0 | 12 | 12 | [
"Mg",
"As",
"O"
] |
mp-1221840 | mp-1221840 | Mn2NbFeO6 | # generated using pymatgen
data_Mn2NbFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61691250
_cell_length_b 5.61691250
_cell_length_c 5.61691250
_cell_angle_alpha 56.82461765
_cell_angle_beta 56.82461765
_cell_angle_gamma 56.82461867
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mn2NbFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34520196
_cell_length_b 5.34520196
_cell_length_c 14.07955265
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.2127468495458746,
2.219964070441667,
5.295023699842717
],
[
6.350741063530116,
4.388275093541274,
5.11131604810874
],
[
4.970840249781891,
3.4347825307122797,
7.662079345233884
],
[
1.7843898322248357,
1.2329889346122935,
2.318446373699943
],
[
... | [
[
4.7013529636377385,
0,
2.54331748049094
],
[
1.6627399668605627,
4.397501050745739,
2.54331748049094
],
[
0,
0,
5.6169125
]
] | [
25,
25,
41,
26,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.284719 | 1.5088 | 0.059449 | 146 | 146 | [
"Fe",
"Mn",
"Nb",
"O"
] |
mp-4051 | mp-4051 | AlPO4 | # generated using pymatgen
data_AlPO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12521560
_cell_length_b 5.12521560
_cell_length_c 7.16700400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.09351479
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AlPO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24223200
_cell_length_b 7.25406200
_cell_length_c 7.16700400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
4.076061684327536,
1.0508676817119424,
3.5835020000000006
],
[
1.057518986395283,
4.074341091799159,
7.167004
],
[
1.5201764425371247,
1.517697322847201,
1.7917510000000003
],
[
3.6134042281856957,
3.6075114506638997,
5.375253000000001
],
[
2.973... | [
[
5.1252156,
0,
3.1382894397400406e-16
],
[
0.00836507072282022,
5.1252087735111,
3.1382894397400406e-16
],
[
0,
0,
7.167004
]
] | [
13,
13,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.118336 | 5.4799 | 0.002465 | 20 | 20 | [
"Al",
"P",
"O"
] |
mp-989545 | mp-989545 | Rb2NaSbCl6 | # generated using pymatgen
data_Rb2NaSbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67071416
_cell_length_b 7.67071416
_cell_length_c 7.67071416
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2NaSbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.84802800
_cell_length_b 10.84802800
_cell_length_c 10.84802800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.214344442576337,
1.5657779712284712,
3.835357079999999
],
[
6.643033327729013,
4.697333913685418,
11.506071239999997
],
[
4.428688885152675,
3.131555942456944,
7.6707141599999975
],
[
0,
0,
0
],
[
3.2996522268385076,
4.7282548970612375,
... | [
[
6.643033327729012,
0,
3.835357079999999
],
[
2.214344442576339,
6.263111884913893,
3.8353570799999988
],
[
0,
0,
7.67071416
]
] | [
37,
37,
11,
51,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.877556 | 3.1339 | 0 | 225 | 225 | [
"Rb",
"Na",
"Sb",
"Cl"
] |
mp-1184602 | mp-1184602 | Hf2MnCo | # generated using pymatgen
data_Hf2MnCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45340801
_cell_length_b 4.45340801
_cell_length_c 4.45340801
_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_Hf2MnCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29807001
_cell_length_b 6.29807001
_cell_length_c 6.29807001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8567644700771035,
2.727144310230862,
6.680112015
],
[
1.2855881566923677,
0.9090481034102873,
2.226704004999999
],
[
0,
0,
0
],
[
2.571176313384736,
1.818096206820575,
4.45340801
]
] | [
[
3.856764470077104,
0,
2.2267040049999998
],
[
1.2855881566923673,
3.636192413641149,
2.2267040049999998
],
[
0,
0,
4.45340801
]
] | [
72,
72,
25,
27
] | [
1,
1,
1
] | -0.306108 | 0 | 0.00174 | 225 | 225 | [
"Co",
"Hf",
"Mn"
] |
mp-1217861 | mp-1217861 | Tb(Fe5Re)2 | # generated using pymatgen
data_Tb(Fe5Re)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69327100
_cell_length_b 6.48583575
_cell_length_c 6.48583575
_cell_angle_alpha 96.51264822
_cell_angle_beta 111.21134640
_cell_angle_gamma 68.78865360
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Tb(Fe5Re)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69327100
_cell_length_b 8.46450399
_cell_length_c 8.63653000
_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
],
[
3.8582042416537896,
4.711044929270545,
3.0304681575376393
],
[
2.6607545006474327,
1.334165950812587,
6.115865720586681
],
[
4.842595113355656,
4.660204705769046,
6.97988349153024
],
[
1.676363628945566,
1.3850061743140862,
2... | [
[
4.375311827838819,
0,
1.6980692237405222
],
[
2.143646914462403,
6.045210880083132,
0.9624285414608249
],
[
0,
0,
6.485836112922973
]
] | [
65,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
75,
75
] | [
1,
1,
1
] | -0.032983 | 0 | 0.012193 | 71 | 71 | [
"Fe",
"Re",
"Tb"
] |
mp-1101119 | mp-1101119 | Ti(CrSe2)2 | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63054100
_cell_length_b 6.39753181
_cell_length_c 6.98895806
_cell_angle_alpha 115.47407595
_cell_angle_beta 74.94572105
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.49819686
_cell_length_b 3.63054100
_cell_length_c 6.39753181
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.44818514
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.0670964610878775,
4.5127541104194675,
0.6964121151949635
],
[
0.6875311306631631,
1.2409317714226928,
2.556211697527741
],
[
1.3868673996566692,
2.8741708521520404,
-1.8326438668697322
],
[
0.1244149342258281,
2.6931676257819084,
0.4625698202272873
]... | [
[
3.5059414342273967,
0,
-0.9429754039467528
],
[
-0.7400827527341379,
5.727950201586433,
-2.7515954039817117
],
[
0,
0,
6.988958320247997
]
] | [
22,
24,
24,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.974716 | 0 | 0.034297 | 8 | 8 | [
"Cr",
"Se",
"Ti"
] |
mp-29398 | mp-29398 | Cs2HfI6 | # generated using pymatgen
data_Cs2HfI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48849588
_cell_length_b 8.48849588
_cell_length_c 8.48849588
_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_Cs2HfI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.00454600
_cell_length_b 12.00454600
_cell_length_c 12.00454600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
7.351253071999544,
5.198120897429318,
12.73274382
],
[
2.450417690666515,
1.7327069658097742,
4.244247940000003
],
[
0,
0,
0
],
[
6.182477346082337,
1.652898482964574,
6.268626879941799
],
[
2.337551451834414,
1.652898482964575,
8.4884958... | [
[
7.351253071999545,
0,
4.244247939999999
],
[
2.4504176906665136,
6.930827863239091,
4.244247939999999
],
[
0,
0,
8.48849588
]
] | [
55,
55,
72,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.511676 | 2.2117 | 0 | 225 | 225 | [
"Cs",
"Hf",
"I"
] |
mp-10519 | mp-10519 | Cu2SnS3 | # generated using pymatgen
data_Cu2SnS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69386699
_cell_length_b 6.69386699
_cell_length_c 6.72320847
_cell_angle_alpha 80.30268760
_cell_angle_beta 80.30268760
_cell_angle_gamma 120.00380509
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cu2SnS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69348200
_cell_length_b 11.59433999
_cell_length_c 6.72320847
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.68846200
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
6.448998352149853,
4.852219693050256,
8.939706198748315
],
[
6.369405091253734,
2.9214316453987212,
5.559941657142024
],
[
3.2979131589070962,
0.944950303831763,
4.450565972309968
],
[
3.218319898010978,
2.875738351483298,
7.794009900703677
],
[
... | [
[
6.302170386485513,
0,
2.255071982876694
],
[
3.1510851932427584,
5.797169996882019,
1.1275359914383467
],
[
0,
0,
6.72320847
]
] | [
29,
29,
29,
29,
50,
50,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.578457 | 0.0407 | 0 | 9 | 9 | [
"Cu",
"Sn",
"S"
] |
mp-540 | mp-540 | ScFe2 | # generated using pymatgen
data_ScFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92724309
_cell_length_b 4.92724309
_cell_length_c 4.92724309
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_ScFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96817400
_cell_length_b 6.96817400
_cell_length_c 6.96817400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
1.4223725621871135,
1.005769284096191,
2.4636215450000014
],
[
2.844745124374224,
2.0115385681923814,
4.92724309
],
[
4.978303967654891,
3.5201924943366683,
8.6226754075
],
[
4.267117686561336,
1.5086539261442864,
7.390864635
],
[
4.9783039676548... | [
[
4.267117686561335,
0,
2.4636215450000005
],
[
1.4223725621871117,
4.023077136384764,
2.463621545
],
[
0,
0,
4.927243089999999
]
] | [
21,
21,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.273875 | 0 | 0 | 227 | 227 | [
"Sc",
"Fe"
] |
mp-10382 | mp-10382 | KEuPSe4 | # generated using pymatgen
data_KEuPSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00099400
_cell_length_b 6.95595900
_cell_length_c 9.25682285
_cell_angle_alpha 72.97056178
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KEuPSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95595900
_cell_length_b 7.00099400
_cell_length_c 9.25682285
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.02943822
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.013282367519733,
1.7502485,
-0.9569520351038192
],
[
1.6376885127651999,
5.250745500000001,
8.176631797521889
],
[
4.870412862040333,
1.7502485,
3.590705736405177
],
[
1.7805580182446006,
5.250745500000001,
3.6289740260128913
],
[
1.96004776939... | [
[
6.650970880284934,
0,
-2.0371430875819323
],
[
-4.2868724464749127e-16,
7.000994,
4.2868724464749127e-16
],
[
0,
0,
9.25682285
]
] | [
19,
19,
63,
63,
15,
15,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.244298 | 0 | 0 | 11 | 11 | [
"Eu",
"K",
"P",
"Se"
] |
mp-21371 | mp-21371 | VCoSi | # generated using pymatgen
data_VCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55223600
_cell_length_b 5.96122400
_cell_length_c 6.83050400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55223600
_cell_length_b 5.96122400
_cell_length_c 6.83050400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
2.664177,
2.831378718384,
4.6310065764560004
],
[
0.888059,
0.149233281616,
1.2157545764560003
],
[
2.6641769999999996,
5.811990718384,
5.614749423544001
],
[
0.8880589999999998,
3.129845281616,
2.1994974235440004
],
[
0.8880589999999998,
3.8... | [
[
3.552236,
0,
2.1751172236079987e-16
],
[
-3.6501969453001908e-16,
5.961224,
3.6501969453001908e-16
],
[
0,
0,
6.830504
]
] | [
23,
23,
23,
23,
27,
27,
27,
27,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.575883 | 0 | 0 | 62 | 62 | [
"V",
"Co",
"Si"
] |
mp-850876 | mp-850876 | VOF3 | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42050400
_cell_length_b 5.59223300
_cell_length_c 9.56209300
_cell_angle_alpha 89.33748494
_cell_angle_beta 89.91712503
_cell_angle_gamma 86.58488211
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42050400
_cell_length_b 5.59223300
_cell_length_c 9.56209300
_cell_angle_alpha 89.33748494
_cell_angle_beta 89.91712503
_cell_angle_gamma 86.58488211
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | [
[
0.3120719888734956,
0.24943984218541088,
0.09623427324901832
],
[
3.134267362404318,
2.651418198538057,
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],
[
2.790255626372844,
5.372800345919222,
4.898225650970749
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[
5.384179581642674,
2.5307479698728033,
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[
... | [
[
5.420498329633874,
0,
0.00784043700179586
],
[
0.3330348189553812,
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0,
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] | [
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8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.683936 | 2.9193 | 0.030141 | 1 | 1 | [
"F",
"O",
"V"
] |
mp-9605 | mp-9605 | Hf3Si3Ni2 | # generated using pymatgen
data_Hf3Si3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29033206
_cell_length_b 5.29033206
_cell_length_c 12.90555300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.15926914
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Hf3Si3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86414000
_cell_length_b 9.84981600
_cell_length_c 12.90555300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.9320700001927609,
3.6007184374051575,
9.67916475
],
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3.608403505173251e-17,
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1.9320700001927609,
0.7210459306268355,
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... | [
[
3.864140000385522,
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[
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],
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0,
0,
12.905553
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] | [
72,
72,
72,
72,
72,
72,
14,
14,
14,
14,
14,
14,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.876911 | 0 | 0 | 63 | 63 | [
"Hf",
"Ni",
"Si"
] |
mp-30745 | mp-30745 | Ir3W | # generated using pymatgen
data_Ir3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55253443
_cell_length_b 5.55253443
_cell_length_c 4.43467900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000517
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | # generated using pymatgen
data_Ir3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55253443
_cell_length_b 5.55253443
_cell_length_c 4.43467900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | [
[
1.1086697500000007,
1.6015641800153086,
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],
[
3.3260092500000016,
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],
[
3.3260092500000007,
0.800782090007653,
1.3869954101992419
],
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1.1086697500000016,
4.007853531247703,
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... | [
[
4.434679,
0,
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],
[
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4.808635621255358,
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],
[
0,
0,
5.55253443
]
] | [
77,
77,
77,
77,
77,
77,
74,
74
] | [
1,
1,
1
] | -0.360136 | 0 | 0 | 194 | 194 | [
"Ir",
"W"
] |
mp-5770 | mp-5770 | AgNO2 | # generated using pymatgen
data_AgNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51349884
_cell_length_b 4.51349884
_cell_length_c 4.51349884
_cell_angle_alpha 128.68850588
_cell_angle_beta 111.08632572
_cell_angle_gamma 90.86747867
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AgNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90835600
_cell_length_b 5.10734199
_cell_length_c 6.33454799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
3.5832484997630125,
0.17248193324332334,
6.080316092967973
],
[
4.365687852708005,
2.4138882540010598,
4.45130857474912
],
[
1.019454099227142,
1.2162240613540467,
2.3910315618320577
],
[
3.821442457809229,
2.558975693801481,
5.584405774847834
]
] | [
[
3.5230377958884986,
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1.6921735365115116
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1.3879510355804083,
3.9759787290132387,
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],
[
0,
0,
4.5134988398791425
]
] | [
47,
7,
8,
8
] | [
1,
1,
1
] | -0.49382 | 1.77 | 0.075427 | 44 | 44 | [
"Ag",
"N",
"O"
] |
mp-1517564 | mp-1517564 | BaCaCeZrO6 | # generated using pymatgen
data_BaCaCeZrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97360279
_cell_length_b 6.04685982
_cell_length_c 8.54402929
_cell_angle_alpha 90.27072354
_cell_angle_beta 90.24683875
_cell_angle_gamma 89.99958210
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaCaCeZrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97360279
_cell_length_b 6.04685982
_cell_length_c 8.54402929
_cell_angle_alpha 90.27072354
_cell_angle_beta 90.24683875
_cell_angle_gamma 89.99958210
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.947824670233048,
3.216014128784939,
6.408871888226685
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[
3.0258016704519446,
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],
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0.04325952074541058,
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6.390007931107653
],
[
5.930366819939581,
5.823720224647532,
2.1568576781107085
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[
... | [
[
5.973547354612724,
0,
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[
0.00007898607226868949,
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0,
0,
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] | [
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58,
40,
40,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.581682 | 2.1986 | 0.077644 | 2 | 2 | [
"Ba",
"Ca",
"Ce",
"O",
"Zr"
] |
mp-2783 | mp-2783 | Ta2Si | # generated using pymatgen
data_Ta2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06435052
_cell_length_b 5.06435052
_cell_length_c 5.06435052
_cell_angle_alpha 104.61667963
_cell_angle_beta 104.61667963
_cell_angle_gamma 119.68939456
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ta2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19280800
_cell_length_b 6.19280800
_cell_length_c 5.08810800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
1.172164951818614,
0.6420294000538115,
1.8931768663616446
],
[
0.8027332093680049,
3.2893244671546364,
0.6151851914663605
],
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-1.1402555789485063,
2.6077024023041684,
3.1298702631211395
],
[
3.115153740135125,
1.3236514649042797,
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]... | [
[
4.900446606694083,
0,
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],
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3.9313538672084483,
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],
[
0,
0,
5.064350519999999
]
] | [
73,
73,
73,
73,
14,
14
] | [
1,
1,
1
] | -0.532799 | 0 | 0.001613 | 140 | 140 | [
"Ta",
"Si"
] |
mp-989195 | mp-989195 | ScClO | # generated using pymatgen
data_ScClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57137000
_cell_length_b 3.57137000
_cell_length_c 7.95613000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_ScClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57137000
_cell_length_b 3.57137000
_cell_length_c 7.95613000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
-1.0934167097677207e-16,
1.785685,
1.07060072119
],
[
1.785685,
0,
6.88552927881
],
[
-1.0934167097677207e-16,
1.785685,
5.38344375933
],
[
1.785685,
0,
2.57268624067
],
[
1.785685,
1.785685,
2.1868334195354414e-16
],
[
0,
0,
... | [
[
3.57137,
0,
2.1868334195354414e-16
],
[
-2.1868334195354414e-16,
3.57137,
2.1868334195354414e-16
],
[
0,
0,
7.95613
]
] | [
21,
21,
17,
17,
8,
8
] | [
1,
1,
1
] | -3.278722 | 3.9387 | 0.072166 | 129 | 129 | [
"Cl",
"O",
"Sc"
] |
mp-1114510 | mp-1114510 | KRb2AsI6 | # generated using pymatgen
data_KRb2AsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.81814058
_cell_length_b 8.81814058
_cell_length_c 8.81814058
_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_KRb2AsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.47073400
_cell_length_b 12.47073400
_cell_length_c 12.47073400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.091155837614964,
3.599990816855017,
8.818140579999998
],
[
2.545577918807481,
1.799995408427509,
4.409070289999999
],
[
7.636733756422444,
5.399986225282527,
13.227210869999999
],
[
0,
0,
0
],
[
3.719135159780268,
5.540321067305168,
6.4... | [
[
7.636733756422444,
0,
4.409070289999999
],
[
2.54557791880748,
7.199981633710036,
4.409070289999999
],
[
0,
0,
8.81814058
]
] | [
19,
37,
37,
33,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.143925 | 2.1806 | 0.063027 | 225 | 225 | [
"As",
"I",
"K",
"Rb"
] |
mp-999474 | mp-999474 | NaHoSe2 | # generated using pymatgen
data_NaHoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37905228
_cell_length_b 7.37905228
_cell_length_c 7.37905303
_cell_angle_alpha 32.50011162
_cell_angle_beta 32.50011162
_cell_angle_gamma 32.50011448
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaHoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12975993
_cell_length_b 4.12975993
_cell_length_c 20.94967769
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.88937114007834,
1.7627359578343598,
4.845157697751154
],
[
0,
0,
0
],
[
4.29456478537492,
2.6200108616798596,
7.403226724841948
],
[
1.484177494781761,
0.9054610539888599,
2.2870886706603595
]
] | [
[
3.964774024097584,
0,
1.155631182751154
],
[
1.8139682560590962,
3.5254719156687195,
1.155631182751154
],
[
0,
0,
7.37905303
]
] | [
11,
67,
34,
34
] | [
1,
1,
1
] | -1.93475 | 1.9119 | 0 | 166 | 166 | [
"Na",
"Ho",
"Se"
] |
mp-1224171 | mp-1224171 | Hg11I2BrClO4 | # generated using pymatgen
data_Hg11I2BrClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66227500
_cell_length_b 7.21835719
_cell_length_c 10.79396105
_cell_angle_alpha 99.86359056
_cell_angle_beta 93.21435364
_cell_angle_gamma 92.46442787
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Hg11I2BrClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66227500
_cell_length_b 7.21835719
_cell_length_c 10.79396105
_cell_angle_alpha 99.86359056
_cell_angle_beta 93.21435364
_cell_angle_gamma 92.46442787
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0.30212753345520466,
0.9308693236652441,
6.879837633407582
],
[
5.972766521633543,
6.179986339416989,
2.2875216478641707
],
[
5.5033599344127,
2.6544415428998906,
7.866432410542994
],
[
0.7982778289739811,
4.491871818346535,
1.2987895652703143
],
[
... | [
[
6.651793566156415,
0,
-0.373564624750699
],
[
-0.380315401148618,
7.101481707228691,
-1.2365267000635864
],
[
0,
0,
10.79396105
]
] | [
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80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
53,
53,
35,
17,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.534877 | 1.3079 | 0 | 1 | 1 | [
"Br",
"Cl",
"Hg",
"I",
"O"
] |
mp-12417 | mp-12417 | Ba2CaReO6 | # generated using pymatgen
data_Ba2CaReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99669070
_cell_length_b 5.99669070
_cell_length_c 5.99669070
_cell_angle_alpha 120.16952945
_cell_angle_beta 120.16952945
_cell_angle_gamma 89.70661634
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba2CaReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98131800
_cell_length_b 5.98131800
_cell_length_c 8.50228600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.4592060112235465,
1.2230100262700576,
0.015352992542378097
],
[
0.008833795959334478,
3.669030078810172,
0.015352992998735715
],
[
1.7340199035914403,
2.4460200525401152,
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],
[
0,
0,
0
],
[
3.5309473174303543,
1.011140661... | [
[
5.184392118855652,
0,
-2.9829923576858013
],
[
-1.7163523116727715,
4.89204010508023,
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],
[
0,
0,
5.9966907
]
] | [
56,
56,
20,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.916075 | 0 | 0 | 87 | 87 | [
"Ba",
"Ca",
"O",
"Re"
] |
mp-1094656 | mp-1094656 | Mg2Ga | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43959076
_cell_length_b 5.43959076
_cell_length_c 4.85762900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000920
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43959076
_cell_length_b 5.43959076
_cell_length_c 4.85762900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.187952753533146e-15,
3.1028638819151895,
1.7914399617862398
],
[
6.156183279589374e-16,
1.6079594657175136,
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],
[
4.857629,
1.0479540449250808e-16,
1.85671183288308
],
[
2.4288145,
0,
1.4872199515738395e-16
],
[
2.42881450000... | [
[
4.857629,
0,
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],
[
1.8035710814920835e-15,
4.7108233476327035,
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],
[
0,
0,
5.43959076
]
] | [
12,
12,
12,
12,
31,
31
] | [
1,
1,
1
] | -0.065593 | 0 | 0.071195 | 189 | 189 | [
"Ga",
"Mg"
] |
mp-1181899 | mp-1181899 | Cd(BrO2)2 | # generated using pymatgen
data_Cd(BrO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.51822300
_cell_length_b 3.70354100
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cd(BrO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70354100
_cell_length_b 9.51822300
_cell_length_c 7.59514437
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.42586386
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.3801389997826994,
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],
[
1.6900694998913497,
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],
[
2.1152250613305794,
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1.7069314852590003
],
[
1.264913938452121,
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... | [
[
3.703541,
0,
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],
[
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],
[
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]
] | [
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8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.51779 | 1.3414 | 0.014056 | 14 | 14 | [
"Br",
"Cd",
"O"
] |
mp-849420 | mp-849420 | Li2Mn3CuO8 | # generated using pymatgen
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92719923
_cell_length_b 5.92719927
_cell_length_c 5.92720034
_cell_angle_alpha 58.97721708
_cell_angle_beta 58.97722525
_cell_angle_gamma 58.97722563
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83533434
_cell_length_b 5.83533434
_cell_length_c 14.62982808
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0.8149198238652672,
0.5718549782614619,
4.486165875480332
],
[
3.384456235749026,
2.3749798329131284,
5.869617960836212
],
[
2.5463542123398195,
0.026577022210547706,
7.351645734289323
],
[
0.8910051045241485,
2.385526573574683,
7.351646102163029
],
... | [
[
5.079387117749592,
0,
2.8724470448339203
],
[
1.7274941373896264,
4.7766035604866515,
2.8724477897361798
],
[
0,
0,
5.92720034
]
] | [
3,
3,
25,
25,
25,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.832307 | 0 | 0.039593 | 160 | 160 | [
"Cu",
"Li",
"Mn",
"O"
] |
mp-546787 | mp-546787 | KNO2 | # generated using pymatgen
data_KNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27756245
_cell_length_b 4.27756245
_cell_length_c 4.19042131
_cell_angle_alpha 76.67814978
_cell_angle_beta 76.67814978
_cell_angle_gamma 85.54657413
_symmetry_Int_Tables_number 1
_chemical_formula_structural KN... | # generated using pymatgen
data_KNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27986000
_cell_length_b 5.80977800
_cell_length_c 4.19042131
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.29471942
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | [
[
1.155110569008554,
4.149972996038695,
4.650317936355835
],
[
2.263942451214182,
2.0625407733777505,
2.7113571533653102
],
[
2.659608328914838,
0.9725100053694797,
3.243510576581142
],
[
3.00645257147103,
2.517327774523849,
1.7787514849682327
]
] | [
[
4.077661558981057,
0,
0.9655604412517593
],
[
0.9342454870929825,
4.161058054696406,
0.33214717963963036
],
[
0,
0,
4.27756245
]
] | [
19,
7,
8,
8
] | [
1,
1,
1
] | -1.276569 | 2.5007 | 0.016143 | 8 | 8 | [
"K",
"N",
"O"
] |
mp-541449 | mp-541449 | CrGeTe3 | # generated using pymatgen
data_CrGeTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29597005
_cell_length_b 8.29597005
_cell_length_c 8.29596941
_cell_angle_alpha 49.24565919
_cell_angle_beta 49.24565919
_cell_angle_gamma 49.24565571
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CrGeTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91291610
_cell_length_b 6.91291610
_cell_length_c 21.81840534
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.841935195772751,
3.8473481041940145,
3.845467740745985
],
[
2.924526781449128,
1.926018038751043,
10.21093752658969
],
[
8.280738618449945,
5.453481245062901,
6.820231719087889
],
[
0.4857233587719326,
0.31988489788215685,
7.236173548247788
],
[
... | [
[
6.284326134355656,
0,
2.8802179286678378
],
[
2.482135842866223,
5.773366142945057,
2.8802179286678378
],
[
0,
0,
8.29596941
]
] | [
24,
24,
32,
32,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.419509 | 0 | 0 | 148 | 148 | [
"Cr",
"Ge",
"Te"
] |
mp-1228724 | mp-1228724 | AsRhSe | # generated using pymatgen
data_AsRhSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01289400
_cell_length_b 6.01289400
_cell_length_c 6.01289400
_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_AsRhSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01289400
_cell_length_b 6.01289400
_cell_length_c 6.01289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7187512842899997,
5.2941427157100005,
2.2876957157100004
],
[
5.2941427157100005,
2.28769571571,
0.7187512842900005
],
[
2.28769571571,
0.71875128429,
5.2941427157100005
],
[
3.7251982842899993,
3.7251982842899998,
3.72519828429
],
[
3.03602442... | [
[
6.012894,
0,
3.6818356953561627e-16
],
[
-3.6818356953561627e-16,
6.012894,
3.6818356953561627e-16
],
[
0,
0,
6.012894
]
] | [
33,
33,
33,
33,
45,
45,
45,
45,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.724122 | 0.9561 | 0 | 198 | 198 | [
"As",
"Rh",
"Se"
] |
mp-1185825 | mp-1185825 | Mg5Pb | # generated using pymatgen
data_Mg5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48425318
_cell_length_b 8.48425338
_cell_length_c 5.22556700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.29291870
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34046100
_cell_length_b 16.63645200
_cell_length_c 5.22556700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2744106830077424,
5.225567,
7.823249337517981
],
[
1.0988424595409279,
5.225567,
5.472550064681499
],
[
2.1706424852460215,
5.225567,
2.3261676861793092
],
[
1.4684627814307678,
2.6127835,
7.313365095901637
],
[
0.3592415556520118,
2.612783... | [
[
3.2750919021233824,
0,
-0.6576113762421987
],
[
8.403352650102792e-16,
5.225567,
3.1997369501400186e-16
],
[
0,
0,
8.48425338
]
] | [
12,
12,
12,
12,
12,
82
] | [
1,
1,
1
] | 0.014904 | 0 | 0.057297 | 38 | 38 | [
"Mg",
"Pb"
] |
mp-1111966 | mp-1111966 | Cs2RbNbF6 | # generated using pymatgen
data_Cs2RbNbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79586610
_cell_length_b 6.79586610
_cell_length_c 6.79586610
_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_Cs2RbNbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61080601
_cell_length_b 9.61080601
_cell_length_c 9.61080601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9617975611058236,
1.3872003587731603,
3.3979330499999985
],
[
5.885392683317478,
4.161601076319479,
10.193799149999998
],
[
3.923595122211651,
2.7744007175463197,
6.795866099999999
],
[
0,
0,
0
],
[
2.8249531756362876,
4.328115058585174,
... | [
[
5.885392683317479,
0,
3.397933049999999
],
[
1.9617975611058258,
5.5488014350926385,
3.3979330500000002
],
[
0,
0,
6.7958661
]
] | [
55,
55,
37,
41,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.994033 | 0 | 0.057691 | 225 | 225 | [
"Cs",
"F",
"Nb",
"Rb"
] |
mp-22136 | mp-22136 | CoGeO3 | # generated using pymatgen
data_CoGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69370884
_cell_length_b 6.69370884
_cell_length_c 5.23801405
_cell_angle_alpha 81.49480255
_cell_angle_beta 81.49480255
_cell_angle_gamma 86.09044661
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.78372800
_cell_length_b 9.13792200
_cell_length_c 5.23801405
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.67590951
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.140314734557256,
5.992065446563728,
1.2354412765255711
],
[
4.56632858241787,
4.828050150593949,
2.7207332310823458
],
[
3.972846285583639,
0.6206058101100944,
6.6893533251461905
],
[
1.5468324377230256,
1.7846211060798738,
5.204061370589416
],
[
... | [
[
5.180408734422206,
0,
0.7746977038300362
],
[
0.9327522857186895,
6.612671256673823,
0.4563880578417257
],
[
0,
0,
6.69370884
]
] | [
27,
27,
27,
27,
32,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.790934 | 0 | 0.001352 | 15 | 15 | [
"Co",
"Ge",
"O"
] |
mp-9472 | mp-9472 | LiAg2Ge | # generated using pymatgen
data_LiAg2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56017547
_cell_length_b 4.56017547
_cell_length_c 4.56017547
_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_LiAg2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44906200
_cell_length_b 6.44906200
_cell_length_c 6.44906200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6328185351564284,
1.8616838398427424,
4.560175470000001
],
[
1.3164092675782137,
0.9308419199213712,
2.280087735
],
[
3.9492278027346424,
2.7925257597641147,
6.840263204999999
],
[
0,
0,
0
]
] | [
[
3.9492278027346424,
0,
2.2800877349999995
],
[
1.3164092675782133,
3.7233676796854867,
2.2800877349999995
],
[
0,
0,
4.56017547
]
] | [
3,
47,
47,
32
] | [
1,
1,
1
] | -0.163724 | 0 | 0 | 225 | 225 | [
"Li",
"Ag",
"Ge"
] |
mp-866192 | mp-866192 | Li2YbSn | # generated using pymatgen
data_Li2YbSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88345055
_cell_length_b 4.88345055
_cell_length_c 4.88345055
_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_Li2YbSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90624200
_cell_length_b 6.90624200
_cell_length_c 6.90624200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4097307448083622,
0.9968301693011551,
2.4417252749999987
],
[
4.229192234425088,
2.9904905079034663,
7.325175824999999
],
[
2.8194614896167254,
1.9936603386023102,
4.883450549999998
],
[
0,
0,
0
]
] | [
[
4.229192234425088,
0,
2.441725275
],
[
1.4097307448083618,
3.987320677204622,
2.441725275
],
[
0,
0,
4.883450549999999
]
] | [
3,
3,
70,
50
] | [
1,
1,
1
] | -0.505101 | 0 | 0 | 225 | 225 | [
"Yb",
"Li",
"Sn"
] |
mp-22156 | mp-22156 | Hf2InC | # generated using pymatgen
data_Hf2InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32301663
_cell_length_b 3.32301663
_cell_length_c 14.90740300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001253
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Hf2InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32301663
_cell_length_b 3.32301663
_cell_length_c 14.90740300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.661508000325462,
0.9592723334851867,
13.689334008273
],
[
-4.896142752900489e-17,
1.918544666970374,
6.235632508273
],
[
-4.896142752900489e-17,
1.918544666970374,
1.218068991727001
],
[
1.661508000325462,
0.9592723334851867,
8.671770491727
],
[
... | [
[
3.3230160006509237,
0,
9.413338204597217e-16
],
[
-1.6615080003254619,
2.8778170004555608,
2.0347608397214623e-16
],
[
0,
0,
14.907403
]
] | [
72,
72,
72,
72,
49,
49,
6,
6
] | [
1,
1,
1
] | -0.709599 | 0 | 0 | 194 | 194 | [
"Hf",
"In",
"C"
] |
mp-9676 | mp-9676 | K2NaGaAs2 | # generated using pymatgen
data_K2NaGaAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91038154
_cell_length_b 8.91038154
_cell_length_c 8.91038154
_cell_angle_alpha 136.14591670
_cell_angle_beta 135.12823514
_cell_angle_gamma 64.54550142
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_K2NaGaAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65473000
_cell_length_b 6.80128200
_cell_length_c 15.06773800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.195297353384177,
5.689580326088183,
-0.9726570668731513
],
[
0.6203621164558882,
2.653643106269296,
1.5410971223729668
],
[
4.508075575910105,
3.545385814593209,
2.2885329462110473
],
[
1.9331403389818174,
0.5094485947743216,
4.802287135457165
],
[... | [
[
6.1733275856275736,
0,
-2.4850468631989187
],
[
-1.0448898932615787,
6.199028920862506,
-2.595704608217066
],
[
0,
0,
8.91038154
]
] | [
19,
19,
19,
19,
11,
11,
31,
31,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.500323 | 1.0602 | 0 | 72 | 72 | [
"As",
"Ga",
"K",
"Na"
] |
mp-626151 | mp-626151 | YHO2 | # generated using pymatgen
data_YHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67079700
_cell_length_b 4.34605200
_cell_length_c 6.14608908
_cell_angle_alpha 67.93599398
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YH... | # generated using pymatgen
data_YHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34605200
_cell_length_b 3.67079700
_cell_length_c 6.04936837
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.68097335
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
2.75309775,
2.7163553861545684,
0.9079300317596583
],
[
0.9176992499999999,
1.375810837334297,
3.6777636538927228
],
[
0.9176992499999997,
4.0352932973148175,
-0.8522729489730259
],
[
2.75309775,
0.05687292617404903,
5.437966634625408
],
[
0.9176... | [
[
3.670797,
0,
2.247714898184853e-16
],
[
-2.505729133587276e-16,
4.092166223488866,
-1.463674685864612
],
[
0,
0,
6.049368371516993
]
] | [
39,
39,
1,
1,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.976689 | 4.4068 | 0 | 11 | 11 | [
"H",
"O",
"Y"
] |
mp-29141 | mp-29141 | Re3Ge7 | # generated using pymatgen
data_Re3Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85179696
_cell_length_b 4.85179696
_cell_length_c 22.15817100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 140.64108312
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Re3Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26776000
_cell_length_b 9.13681999
_cell_length_c 22.15817100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6338799985332475,
0.1719549522490503,
16.61862825
],
[
-5.679698105709061e-16,
4.396455043740608,
5.539542749999998
],
[
1.9317667625923768e-16,
0.6714009434706159,
20.844058510674
],
[
1.6338799985332462,
3.897009052519042,
1.3141124893260003
],
[... | [
[
3.2677599970664946,
0,
9.256810685779136e-16
],
[
-1.6338799985332484,
4.568409995989659,
2.970868808588429e-16
],
[
0,
0,
22.158171
]
] | [
75,
75,
75,
75,
75,
75,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.010687 | 0 | 0 | 63 | 63 | [
"Ge",
"Re"
] |
mp-23472 | mp-23472 | Re(AgCl3)2 | # generated using pymatgen
data_Re(AgCl3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16688790
_cell_length_b 7.16688790
_cell_length_c 7.16688730
_cell_angle_alpha 56.06408281
_cell_angle_beta 56.06408281
_cell_angle_gamma 56.06407692
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Re(AgCl3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73637618
_cell_length_b 6.73637618
_cell_length_c 18.05940805
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.038176181236981,
2.7757025398225155,
6.749306041628519
],
[
6.184111462060487,
4.250744177914677,
9.885715736087208
],
[
1.8922409004134744,
1.3006609017303528,
3.6128963471698237
],
[
1.7422687065942566,
2.1787099889625683,
6.956381992251148
],
[
... | [
[
5.946098036002886,
0,
3.1658623916285173
],
[
2.130254326471075,
5.55140507964503,
3.1658623916285173
],
[
0,
0,
7.1668873
]
] | [
75,
47,
47,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -0.946665 | 0.8395 | 0 | 148 | 148 | [
"Ag",
"Cl",
"Re"
] |
mp-37381 | mp-37381 | SmOF | # generated using pymatgen
data_SmOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93774473
_cell_length_b 3.93774473
_cell_length_c 3.93774473
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | # generated using pymatgen
data_SmOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56881200
_cell_length_b 5.56881200
_cell_length_c 5.56881200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | [
[
0,
0,
0
],
[
3.4101869697982945,
2.4113663314583786,
5.9066170950000005
],
[
1.1367289899327648,
0.8037887771527928,
1.9688723649999995
]
] | [
[
3.410186969798295,
0,
1.9688723650000004
],
[
1.1367289899327642,
3.2151551086111714,
1.9688723650000002
],
[
0,
0,
3.9377447299999995
]
] | [
62,
8,
9
] | [
1,
1,
1
] | -4.146305 | 5.5421 | 0.055045 | 216 | 216 | [
"Sm",
"O",
"F"
] |
mp-27988 | mp-27988 | IF7 | # generated using pymatgen
data_IF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58370294
_cell_length_b 5.58370294
_cell_length_c 9.78797400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.61603724
_symmetry_Int_Tables_number 1
_chemical_formula_structural IF... | # generated using pymatgen
data_IF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82793400
_cell_length_b 8.83687000
_cell_length_c 9.78797400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural IF7... | [
[
1.527814499751741,
1.9773328386392097,
2.5025194194450853e-16
],
[
3.6151695759354365,
4.6788360242084925,
4.893987000000001
],
[
1.8902101239247027,
0.9721359213271062,
8.215976435730001
],
[
-0.225268056221821,
0.9606707418075502,
4.07468463633
],
... | [
[
5.58370294,
0,
3.419031966430333e-16
],
[
-1.4089927876326105,
5.403006371138566,
3.419031966430333e-16
],
[
0,
0,
9.787974
]
] | [
53,
53,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.694203 | 1.5547 | 0 | 41 | 41 | [
"F",
"I"
] |
mp-6638 | mp-6638 | Nd2Fe2Si2C | # generated using pymatgen
data_Nd2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76478846
_cell_length_b 5.76478846
_cell_length_c 6.97109401
_cell_angle_alpha 54.18248860
_cell_angle_beta 54.18248860
_cell_angle_gamma 40.58849939
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Nd2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.81386401
_cell_length_b 3.99893600
_cell_length_c 6.97109401
_cell_angle_alpha 90.00000000
_cell_angle_beta 128.60422451
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.0289536108305475,
1.6855511193141803,
6.51375051359207
],
[
1.265094698409757,
3.6223183948649456,
2.38742879610557
],
[
2.3759511061893432,
4.264804152339244,
5.202936815435773
],
[
2.9180972030509618,
1.0430653618398824,
3.6982424942618657
],
[
... | [
[
3.7621849401380087,
0,
1.3555270677011126
],
[
1.5318633691022963,
5.307869514179127,
1.6470281805116638
],
[
0,
0,
5.898624061484862
]
] | [
60,
60,
26,
26,
14,
14,
6
] | [
1,
1,
1
] | -0.581933 | 0 | 0 | 12 | 12 | [
"C",
"Fe",
"Nd",
"Si"
] |
mp-1216649 | mp-1216649 | TiSnO4 | # generated using pymatgen
data_TiSnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74686214
_cell_length_b 4.74686214
_cell_length_c 3.10212800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.19594549
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiSnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70158800
_cell_length_b 6.72454600
_cell_length_c 3.10212800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5510639999999998,
2.373417190574713,
2.381547936746685
],
[
0,
0,
0
],
[
1.5510640000000002,
3.781480166723829,
0.9782921712678098
],
[
1.551064,
0.9653542144255963,
3.784803702225559
],
[
3.102128,
3.2561764867683087,
3.2673313501485
... | [
[
3.102128,
0,
1.8995055628726903e-16
],
[
-2.9065977654786255e-16,
4.746834381149426,
0.01623373349336915
],
[
0,
0,
4.74686214
]
] | [
22,
50,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.767403 | 1.5783 | 0.037152 | 65 | 65 | [
"O",
"Sn",
"Ti"
] |
mp-985439 | mp-985439 | BaPAu | # generated using pymatgen
data_BaPAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46929388
_cell_length_b 4.46929388
_cell_length_c 9.18402200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999819
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaPAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46929388
_cell_length_b 4.46929388
_cell_length_c 9.18402200
_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,
4.592011
],
[
2.2346470011357846,
1.2901740005871867,
6.888016500000002
],
[
8.708110528121125e-16,
2.5803480011743734,
2.2960055000000006
],
[
2.2346470011357846,
1.2901740005871867,
2.296005500000001
],
[
8.70... | [
[
4.469294002271568,
0,
1.2660479507447195e-15
],
[
-2.234647001135783,
3.8705220017615596,
2.7366532222954276e-16
],
[
0,
0,
9.184022
]
] | [
56,
56,
15,
15,
79,
79
] | [
1,
1,
1
] | -0.875805 | 0 | 0 | 194 | 194 | [
"Ba",
"P",
"Au"
] |
mp-16491 | mp-16491 | SrAl9Co2 | # generated using pymatgen
data_SrAl9Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90809374
_cell_length_b 7.90809374
_cell_length_c 3.91292000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999783
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrAl9Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90809374
_cell_length_b 7.90809374
_cell_length_c 3.91292000
_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
],
[
1.3110187367575635e-15,
3.4243051120514267,
1.9770233053090869
],
[
1.3110187367575633e-15,
3.4243051120514267,
-1.9770235646909124
],
[
3.912920000000003,
6.8486102241028535,
-2.5938182535156784e-7
],
[
1.956460000000002,
5.3817... | [
[
3.91292,
0,
2.395972476659831e-16
],
[
2.6220374735151267e-15,
6.8486102241028535,
-3.9540471293818253
],
[
0,
0,
7.908093739999999
]
] | [
38,
13,
13,
13,
13,
13,
13,
13,
13,
13,
27,
27
] | [
1,
1,
1
] | -0.402806 | 0 | 0 | 191 | 191 | [
"Sr",
"Al",
"Co"
] |
mp-625788 | mp-625788 | La(HO)3 | # generated using pymatgen
data_La(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83109200
_cell_length_b 6.57091593
_cell_length_c 6.61215808
_cell_angle_alpha 60.58492155
_cell_angle_beta 87.81509947
_cell_angle_gamma 87.61291977
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_La(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83109200
_cell_length_b 6.57091593
_cell_length_c 6.61215808
_cell_angle_alpha 60.58492155
_cell_angle_beta 87.81509947
_cell_angle_gamma 87.61291977
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9322891761477432,
3.7813452700018133,
6.554851488501645
],
[
2.8340042340854175,
1.8912619843095524,
3.3309561233473604
],
[
0.6064782930525926,
4.083464035495012,
3.1801958078843278
],
[
0.9230773214244085,
0.7525075177333369,
1.375561924202659
],
... | [
[
3.8283067894491967,
0,
0.14605833875951182
],
[
0.15075556036775223,
5.721837948016097,
3.227193737101774
],
[
0,
0,
6.61215808
]
] | [
57,
57,
1,
1,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.235066 | 3.9861 | 0.002401 | 1 | 1 | [
"H",
"La",
"O"
] |
mp-21071 | mp-21071 | Eu2SO2 | # generated using pymatgen
data_Eu2SO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92453145
_cell_length_b 3.92475515
_cell_length_c 6.80135603
_cell_angle_alpha 89.99999840
_cell_angle_beta 90.00957279
_cell_angle_gamma 120.00190981
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu2SO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92464330
_cell_length_b 3.92464330
_cell_length_c 6.80135603
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9621027539357614,
1.1328060102892488,
4.888493271386451
],
[
3.9243807835536297,
2.2659156532760374,
1.911551501947702
],
[
0,
0,
0
],
[
1.962190391776815,
1.1329578266380183,
2.4947967954762964
],
[
3.9243807835536297,
2.2659156532760374,
... | [
[
3.924529957711292,
0,
-0.0006555881769198943
],
[
1.962041217619152,
3.3988734799140556,
-0.0006556977767615022
],
[
0,
0,
6.80135603
]
] | [
63,
63,
16,
8,
8
] | [
1,
1,
1
] | -2.823479 | 0 | 0.013117 | 164 | 164 | [
"Eu",
"O",
"S"
] |
mp-1026034 | mp-1026034 | Mo(WS3)2 | # generated using pymatgen
data_Mo(WS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19000666
_cell_length_b 3.19000666
_cell_length_c 29.09869700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001375
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Mo(WS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19000666
_cell_length_b 3.19000666
_cell_length_c 29.09869700
_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,
25.734043764587003
],
[
0,
0,
12.269931169202
],
[
1.5950029985085694,
0.9208756657293963,
19.001769226667
],
[
0,
0,
17.431021562607
],
[
1.5950029985085694,
0.9208756657293963,
27.298593406186004
],
[
1.5950029985085694,
... | [
[
3.1900059970171375,
0,
9.036551529915458e-16
],
[
-1.5950029985085683,
2.7626269971881894,
1.9533157227138695e-16
],
[
0,
0,
29.098697
]
] | [
42,
74,
74,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.167635 | 1.1932 | 0.002199 | 156 | 156 | [
"Mo",
"S",
"W"
] |
mp-1113340 | mp-1113340 | Rb2AsAuCl6 | # generated using pymatgen
data_Rb2AsAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38405024
_cell_length_b 7.38405024
_cell_length_c 7.38405024
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2AsAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.44262399
_cell_length_b 10.44262399
_cell_length_c 10.44262399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.131591696886861,
1.5072629435896412,
3.692025120000002
],
[
6.39477509066058,
4.521788830768917,
11.076075359999999
],
[
0,
0,
0
],
[
4.263183393773719,
3.0145258871792793,
7.384050239999999
],
[
3.163802186554139,
4.569285700647314,
5.... | [
[
6.394775090660581,
0,
3.692025119999999
],
[
2.1315916968868587,
6.029051774358554,
3.6920251200000003
],
[
0,
0,
7.384050239999999
]
] | [
37,
37,
33,
79,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.426347 | 0.2814 | 0.063384 | 225 | 225 | [
"As",
"Au",
"Cl",
"Rb"
] |
mp-1186158 | mp-1186158 | NaIn3 | # generated using pymatgen
data_NaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87826613
_cell_length_b 5.87826613
_cell_length_c 5.87826613
_cell_angle_alpha 133.05805011
_cell_angle_beta 133.05805011
_cell_angle_gamma 68.56299836
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68244400
_cell_length_b 4.68244400
_cell_length_c 9.71418999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
0,
0,
0
],
[
3.0188263322085276,
1.0544999719299626,
1.0741884285700714
],
[
0.466423518377716,
3.163499915789888,
1.0741884288013366
],
[
1.7426249252931219,
2.1089999438599247,
-1.864944636314296
]
] | [
[
4.295027739123933,
0,
-1.8649446365455618
],
[
-0.8097778885376893,
4.217999887719851,
-1.864944636083031
],
[
0,
0,
5.878266130000001
]
] | [
11,
49,
49,
49
] | [
1,
1,
1
] | -0.070788 | 0 | 0.004024 | 139 | 139 | [
"In",
"Na"
] |
mp-1185453 | mp-1185453 | Lu2TlZn | # generated using pymatgen
data_Lu2TlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11512277
_cell_length_b 5.11512277
_cell_length_c 5.11512277
_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_Lu2TlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23387599
_cell_length_b 7.23387599
_cell_length_c 7.23387599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.429826262296225,
3.132360189547918,
7.672684155
],
[
1.4766087540987436,
1.044120063182639,
2.5575613850000014
],
[
2.953217508197484,
2.088240126365278,
5.11512277
],
[
0,
0,
0
]
] | [
[
4.429826262296226,
0,
2.5575613850000005
],
[
1.476608754098741,
4.176480252730558,
2.557561385
],
[
0,
0,
5.115122769999999
]
] | [
71,
71,
81,
30
] | [
1,
1,
1
] | -0.288181 | 0 | 0.020665 | 225 | 225 | [
"Lu",
"Tl",
"Zn"
] |
mp-22495 | mp-22495 | SmNiO3 | # generated using pymatgen
data_SmNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34675400
_cell_length_b 5.54790200
_cell_length_c 7.63106600
_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_SmNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34675400
_cell_length_b 5.54790200
_cell_length_c 7.63106600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.07940464365399967,
5.209568744432,
5.7232995
],
[
2.7527816436539996,
3.112284255568,
1.9077665000000004
],
[
2.5939723563459998,
2.4356177444319997,
5.7232995
],
[
5.267349356346,
0.338333255568,
1.9077665000000004
],
[
2.673377,
0,
3.... | [
[
5.346754,
0,
3.2739425859641534e-16
],
[
-3.3971102131415995e-16,
5.547902,
3.3971102131415995e-16
],
[
0,
0,
7.631066
]
] | [
62,
62,
62,
62,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.452948 | 0 | 0 | 62 | 62 | [
"Ni",
"O",
"Sm"
] |
mp-1228399 | mp-1228399 | Ba2SrV2O8 | # generated using pymatgen
data_Ba2SrV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81954417
_cell_length_b 7.81954417
_cell_length_c 7.81954461
_cell_angle_alpha 43.91679323
_cell_angle_beta 43.91679323
_cell_angle_gamma 43.91679990
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ba2SrV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84797566
_cell_length_b 5.84797566
_cell_length_c 21.15918254
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.5690879018997856,
1.0043626291079923,
3.927781604099706
],
[
0.0017774932096493187,
0.00113776146709403,
7.815135945381417
],
[
6.117500655997408,
3.915771089043704,
8.285575193351322
],
[
4.561047575960152,
2.9194959245632806,
4.32645580871606
],
... | [
[
5.423737411959143,
0,
2.1867528055130183
],
[
2.271038387388557,
4.925374316424372,
2.1867528055130183
],
[
0,
0,
7.81954461
]
] | [
56,
56,
38,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.009003 | 3.7443 | 0.009753 | 160 | 160 | [
"Ba",
"O",
"Sr",
"V"
] |
mp-1854 | mp-1854 | EuPd2 | # generated using pymatgen
data_EuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54772646
_cell_length_b 5.54772646
_cell_length_c 5.54772646
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_EuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84567000
_cell_length_b 7.84567000
_cell_length_c 7.84567000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
1.601490682535705,
1.1324249216280693,
2.773863230000001
],
[
3.20298136507141,
2.2648498432561386,
5.547726460000001
],
[
4.804472047607114,
1.698637382442104,
8.32158969
],
[
5.605217388874967,
3.9634872256982425,
9.708521305000001
],
[
3.20298... | [
[
4.804472047607114,
0,
2.773863230000001
],
[
1.601490682535705,
4.529699686512277,
2.7738632300000003
],
[
0,
0,
5.54772646
]
] | [
63,
63,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.707316 | 0 | 0 | 227 | 227 | [
"Eu",
"Pd"
] |
mp-1103194 | mp-1103194 | SbSBr | # generated using pymatgen
data_SbSBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01409500
_cell_length_b 8.78100000
_cell_length_c 10.22093000
_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_SbSBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01409500
_cell_length_b 8.78100000
_cell_length_c 10.22093000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0802170490699998,
5.33480874,
3.7784938442600002
],
[
3.08726454907,
3.44619126,
6.44243615574
],
[
3.0872645490699995,
7.836691260000001,
8.88895884426
],
[
1.08021704907,
0.94430874,
1.3319711557399998
],
[
1.0462738617499998,
3.008598906... | [
[
4.014095,
0,
2.4579242966116975e-16
],
[
-5.376811771656454e-16,
8.781,
5.376811771656454e-16
],
[
0,
0,
10.22093
]
] | [
51,
51,
51,
51,
16,
16,
16,
16,
35,
35,
35,
35
] | [
1,
1,
1
] | -0.78655 | 1.829 | 0.002012 | 33 | 33 | [
"Br",
"S",
"Sb"
] |
mp-862764 | mp-862764 | LiCa2Rh | # generated using pymatgen
data_LiCa2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06458585
_cell_length_b 5.06458585
_cell_length_c 5.06458585
_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_LiCa2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16240600
_cell_length_b 7.16240600
_cell_length_c 7.16240600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.924040003831469,
2.0676085151699715,
5.06458585
],
[
1.4620200019157346,
1.0338042575849857,
2.532292925
],
[
4.386060005747203,
3.1014127727549563,
7.596878775
],
[
0,
0,
0
]
] | [
[
4.386060005747204,
0,
2.5322929250000006
],
[
1.462020001915734,
4.135217030339941,
2.5322929250000006
],
[
0,
0,
5.064585849999999
]
] | [
3,
20,
20,
45
] | [
1,
1,
1
] | -0.236728 | 0 | 0 | 225 | 225 | [
"Ca",
"Li",
"Rh"
] |
mp-755212 | mp-755212 | Li3Co2(NiO4)2 | # generated using pymatgen
data_Li3Co2(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76354478
_cell_length_b 5.76541535
_cell_length_c 5.71283601
_cell_angle_alpha 59.69181326
_cell_angle_beta 60.50819690
_cell_angle_gamma 90.27432748
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Li3Co2(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.92919753
_cell_length_b 5.75451575
_cell_length_c 5.71283601
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.61730546
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
0.8595481343973179,
2.3507315139485505,
4.324396214737343
],
[
4.439220446631878e-17,
0,
2.877257876459191
],
[
0.8595481343973184,
2.3507315139485505,
1.4471383382781517
],
[
0,
0,
0
],
[
-1.622621057806862,
2.3507315139485505,
-0.016913... | [
[
4.96433838440836,
0,
-2.8264117868415215
],
[
-3.245242115613724,
4.701463027897101,
-0.03382728952055808
],
[
0,
0,
5.754515752918382
]
] | [
3,
3,
3,
27,
27,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.439147 | 0 | 0.076789 | 12 | 12 | [
"Co",
"Li",
"Ni",
"O"
] |
mp-1227838 | mp-1227838 | BaNdFeCoO6 | # generated using pymatgen
data_BaNdFeCoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91011500
_cell_length_b 3.91011500
_cell_length_c 7.91535700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaNdFeCoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91011500
_cell_length_b 3.91011500
_cell_length_c 7.91535700
_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,
7.882444945594
],
[
0,
0,
3.9866012144780005
],
[
1.9550574999999997,
1.9550575,
2.002846527781
],
[
1.9550574999999997,
1.9550575,
5.9183440903280005
],
[
1.9550574999999997,
1.9550575,
0.011944273713000239
],
[
-1.19712745... | [
[
3.910115,
0,
2.394254909524026e-16
],
[
-2.394254909524026e-16,
3.910115,
2.394254909524026e-16
],
[
0,
0,
7.915357
]
] | [
56,
60,
26,
27,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.336193 | 0 | 0.078451 | 99 | 99 | [
"Ba",
"Co",
"Fe",
"Nd",
"O"
] |
mp-10887 | mp-10887 | HfAlCu2 | # generated using pymatgen
data_HfAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38260823
_cell_length_b 4.38260823
_cell_length_c 4.38260823
_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_HfAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19794400
_cell_length_b 6.19794400
_cell_length_c 6.19794400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5303000413431684,
1.7891923176703557,
4.382608229999998
],
[
0,
0,
0
],
[
1.265150020671584,
0.8945961588351772,
2.191304114999999
],
[
3.795450062014753,
2.6837884765055344,
6.573912344999998
]
] | [
[
3.795450062014754,
0,
2.1913041149999994
],
[
1.265150020671584,
3.5783846353407136,
2.1913041149999994
],
[
0,
0,
4.38260823
]
] | [
72,
13,
29,
29
] | [
1,
1,
1
] | -0.328565 | 0 | 0 | 225 | 225 | [
"Hf",
"Al",
"Cu"
] |
mp-13841 | mp-13841 | IrF4 | # generated using pymatgen
data_IrF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79144542
_cell_length_b 5.70427732
_cell_length_c 5.59781539
_cell_angle_alpha 73.86222911
_cell_angle_beta 53.78685778
_cell_angle_gamma 52.35091312
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ir... | # generated using pymatgen
data_IrF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95828600
_cell_length_b 9.47844800
_cell_length_c 9.72902600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ir... | [
[
1.817016798242235,
3.3895035320508384,
-2.3552675112928303
],
[
-1.4717682599378692,
2.2699421169125342,
2.052772538095346
],
[
-0.2062282655231188,
2.309184983635962,
0.6493103340208617
],
[
-1.712000514931588,
4.14333110233742,
2.1272024458963035
],
... | [
[
5.3772398150436,
0,
-1.5559013890664426
],
[
-2.9765792124103814,
4.478245660553213,
-1.5559013903533738
],
[
0,
0,
5.704277320000001
]
] | [
77,
77,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.714016 | 0 | 0 | 43 | 43 | [
"F",
"Ir"
] |
mp-1080506 | mp-1080506 | Sr2TaInO6 | # generated using pymatgen
data_Sr2TaInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84151094
_cell_length_b 5.84151094
_cell_length_c 5.84151094
_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_Sr2TaInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26114400
_cell_length_b 8.26114400
_cell_length_c 8.26114400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.6862989568415712,
1.192393427490475,
2.9207554699999974
],
[
5.058896870524714,
3.5771802824714287,
8.762266409999999
],
[
3.3725979136831428,
2.3847868549809514,
5.841510939999997
],
[
0,
0,
0
],
[
4.995950703063733,
3.5326706206100638,
... | [
[
5.058896870524716,
0,
2.9207554699999996
],
[
1.6862989568415705,
4.769573709961906,
2.92075547
],
[
0,
0,
5.841510939999999
]
] | [
38,
38,
73,
49,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.059901 | 4.0244 | 0.041873 | 225 | 225 | [
"In",
"O",
"Sr",
"Ta"
] |
mp-22877 | mp-22877 | VCl2 | # generated using pymatgen
data_VCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65532808
_cell_length_b 3.65532808
_cell_length_c 6.08596800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000146
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65532808
_cell_length_b 3.65532808
_cell_length_c 6.08596800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
0,
0,
0
],
[
-4.212630238481628e-17,
2.110404666488459,
1.3327661323200006
],
[
1.827663999667307,
1.0552023332442293,
4.7532018676800005
]
] | [
[
3.6553279993346135,
0,
1.0354701481946011e-15
],
[
-1.8276639996673065,
3.1656069997326877,
2.23824291650272e-16
],
[
0,
0,
6.085968
]
] | [
23,
17,
17
] | [
1,
1,
1
] | -1.563124 | 1.2596 | 0 | 164 | 164 | [
"V",
"Cl"
] |
mp-1207658 | mp-1207658 | Yb(FeSb3)4 | # generated using pymatgen
data_Yb(FeSb3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95461481
_cell_length_b 7.95461481
_cell_length_c 7.95461481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Yb(FeSb3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.18519800
_cell_length_b 9.18519800
_cell_length_c 9.18519800
_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
],
[
-4.718623954555284e-16,
6.494915794782074,
3.9773074049999986
],
[
3.4957995504905014e-17,
6.054902433183714e-17,
3.9773074049999995
],
[
5.624762074968996,
3.2474578973910373,
3.977307404118292
],
[
1.8749206916563317,
3.2474578... | [
[
7.4996827666253285,
0,
-2.6515382711756095
],
[
-3.749841383312665,
6.494915794782075,
-2.651538269412195
],
[
0,
0,
7.954614809999999
]
] | [
70,
26,
26,
26,
26,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.298065 | 0 | 0 | 204 | 204 | [
"Fe",
"Sb",
"Yb"
] |
mp-541378 | mp-541378 | CsBiS2 | # generated using pymatgen
data_CsBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59480800
_cell_length_b 7.51693100
_cell_length_c 8.19266445
_cell_angle_alpha 76.71231916
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51693100
_cell_length_b 9.59480800
_cell_length_c 8.19266445
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.28768084
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.047170184123976465,
6.916635154076357,
5.454830649352
],
[
1.9226296825493108,
1.0566978496509805,
0.6574266493520002
],
[
5.68109518254931,
1.0566978496509805,
4.139977350648
],
[
3.7112953158760225,
6.916635154076357,
8.937381350648002
],
[
... | [
[
7.516930999999999,
0,
4.602792744280755e-16
],
[
-1.8830060015746648,
7.973333003727338,
5.016560147590405e-16
],
[
0,
0,
9.594808
]
] | [
55,
55,
55,
55,
83,
83,
83,
83,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.983717 | 1.58 | 0 | 14 | 14 | [
"Bi",
"Cs",
"S"
] |
mp-754260 | mp-754260 | V6O11F | # generated using pymatgen
data_V6O11F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61609400
_cell_length_b 5.53104771
_cell_length_c 7.53219619
_cell_angle_alpha 85.81312792
_cell_angle_beta 89.22114796
_cell_angle_gamma 89.01055831
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V6O11F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61609400
_cell_length_b 5.53104771
_cell_length_c 7.53219619
_cell_angle_alpha 85.81312792
_cell_angle_beta 89.22114796
_cell_angle_gamma 89.01055831
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.491070115839865,
4.674148938067798,
5.448475490791853
],
[
2.2639255064129054,
2.658087862664611,
7.682101755351733
],
[
2.2859406799979003,
0.9333692694717005,
2.614024791385598
],
[
4.572583673182014,
1.7706410782726643,
5.180295516193433
],
[
... | [
[
4.615667516121093,
0,
0.06274709125156049
],
[
0.09003014588288999,
5.515551895238295,
0.40382005158460854
],
[
0,
0,
7.53219619
]
] | [
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -2.524993 | 0.5208 | 0.018634 | 1 | 1 | [
"F",
"O",
"V"
] |
mp-862366 | mp-862366 | Sc2TlAg | # generated using pymatgen
data_Sc2TlAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98594285
_cell_length_b 4.98594285
_cell_length_c 4.98594285
_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_Sc2TlAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05118800
_cell_length_b 7.05118800
_cell_length_c 7.05118800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.317953169917384,
3.05325396729453,
7.478914275
],
[
1.4393177233057943,
1.0177513224315093,
2.492971425
],
[
0,
0,
0
],
[
2.87863544661159,
2.0355026448630196,
4.98594285
]
] | [
[
4.317953169917384,
0,
2.4929714250000004
],
[
1.4393177233057945,
4.071005289726041,
2.492971425
],
[
0,
0,
4.98594285
]
] | [
21,
21,
81,
47
] | [
1,
1,
1
] | -0.302902 | 0 | 0 | 225 | 225 | [
"Sc",
"Tl",
"Ag"
] |
mp-22904 | mp-22904 | CaCl2 | # generated using pymatgen
data_CaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43903300
_cell_length_b 6.43903300
_cell_length_c 4.22321700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43903300
_cell_length_b 6.43903300
_cell_length_c 4.22321700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
2.1116085,
3.2195165,
3.2195165000000006
],
[
0,
0,
0
],
[
4.223217,
4.479422770011,
4.479422770011001
],
[
2.1116085,
1.2599062700110004,
5.179126729989
],
[
-1.1999151978662185e-16,
1.959610229989,
1.9596102299890004
],
[
2.1116... | [
[
4.223217,
0,
2.5859745905773436e-16
],
[
-3.94277057652709e-16,
6.439033,
3.94277057652709e-16
],
[
0,
0,
6.439033
]
] | [
20,
20,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.803498 | 5.5828 | 0 | 136 | 136 | [
"Ca",
"Cl"
] |
mp-1080104 | mp-1080104 | Pr(BIr)2 | # generated using pymatgen
data_Pr(BIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15486910
_cell_length_b 6.16040880
_cell_length_c 5.61054008
_cell_angle_alpha 74.70340292
_cell_angle_beta 56.15079219
_cell_angle_gamma 49.14580489
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr(BIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03931200
_cell_length_b 9.45723800
_cell_length_c 10.73914600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.2800754502785594,
2.299758336809305,
-1.4801489096042095
],
[
3.3459257128239703,
1.1498791684046525,
1.6000554898029802
],
[
-1.3856481481037382,
3.783534818618627,
-1.4801489088392632
],
[
-2.2517517389753765,
4.2656193602139405,
1.6000554914092702
... | [
[
5.411775975369381,
0,
-1.480148910789829
],
[
-2.8516250748122633,
4.59951667361861,
-1.4801489084185928
],
[
0,
0,
6.1604088
]
] | [
59,
59,
5,
5,
5,
5,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.724051 | 0 | 0 | 70 | 70 | [
"B",
"Ir",
"Pr"
] |
mp-20847 | mp-20847 | Ti5Sn3 | # generated using pymatgen
data_Ti5Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08043167
_cell_length_b 8.08043167
_cell_length_c 5.44312000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999727
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ti5Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08043167
_cell_length_b 8.08043167
_cell_length_c 5.44312000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.082340000000002,
5.29843616100186,
3.05905320722891
],
[
1.360780000000002,
5.29843616100186,
-3.0590537121432595
],
[
1.36078,
8.971122616262583e-18,
6.1181069193721695
],
[
4.082340000000003,
6.997859292270445,
-2.0778914178025882
],
[
4.0823... | [
[
5.44312,
0,
3.3329497426874707e-16
],
[
2.679178504588172e-15,
6.997859292270445,
-4.040216168430418
],
[
0,
0,
8.08043167
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.348095 | 0 | 0 | 193 | 193 | [
"Ti",
"Sn"
] |
mp-1114564 | mp-1114564 | Rb2LiCeI6 | # generated using pymatgen
data_Rb2LiCeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62411189
_cell_length_b 8.62411189
_cell_length_c 8.62411189
_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_Rb2LiCeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.19633600
_cell_length_b 12.19633600
_cell_length_c 12.19633600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.489566660606478,
1.7603894679307845,
4.312055945
],
[
7.4686999818194275,
5.28116840379236,
12.936167835000001
],
[
4.979133321212953,
3.5207789358615718,
8.624111890000002
],
[
0,
0,
0
],
[
3.7631542771729296,
5.2404329915044405,
6.517... | [
[
7.4686999818194275,
0,
4.312055945000001
],
[
2.489566660606474,
7.041557871723148,
4.312055945000002
],
[
0,
0,
8.624111889999998
]
] | [
37,
37,
3,
58,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.613557 | 0.2746 | 0.037508 | 225 | 225 | [
"Ce",
"I",
"Li",
"Rb"
] |
mp-21493 | mp-21493 | U2Ga8Ru | # generated using pymatgen
data_U2Ga8Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30100200
_cell_length_b 4.30100200
_cell_length_c 11.02196100
_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_U2Ga8Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30100200
_cell_length_b 4.30100200
_cell_length_c 11.02196100
_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,
7.6175638180859995
],
[
0,
0,
3.4043971819139998
],
[
-1.3168020831065912e-16,
2.150501,
5.5109805
],
[
2.150501,
0,
5.5109805
],
[
2.150501,
2.150501,
7.6163844682590005
],
[
2.150501,
2.150501,
3.405576531741
],
... | [
[
4.301002,
0,
2.6336041662131824e-16
],
[
-2.6336041662131824e-16,
4.301002,
2.6336041662131824e-16
],
[
0,
0,
11.021961
]
] | [
92,
92,
31,
31,
31,
31,
31,
31,
31,
31,
44
] | [
1,
1,
1
] | -0.303429 | 0 | 0.004828 | 123 | 123 | [
"U",
"Ga",
"Ru"
] |
mp-972511 | mp-972511 | Sm2AgSn | # generated using pymatgen
data_Sm2AgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34394111
_cell_length_b 5.34394111
_cell_length_c 5.34394111
_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_Sm2AgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55747399
_cell_length_b 7.55747399
_cell_length_c 7.55747399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.627988757588011,
3.272482233745588,
8.015911665
],
[
1.542662919196005,
1.0908274112485286,
2.671970555000002
],
[
3.0853258383920075,
2.181654822497058,
5.343941110000001
],
[
0,
0,
0
]
] | [
[
4.627988757588011,
0,
2.6719705550000006
],
[
1.5426629191960028,
4.363309644994118,
2.6719705550000006
],
[
0,
0,
5.343941109999999
]
] | [
62,
62,
47,
50
] | [
1,
1,
1
] | -0.527663 | 0 | 0.024282 | 225 | 225 | [
"Sm",
"Ag",
"Sn"
] |
mp-867889 | mp-867889 | KNaGdTaO5 | # generated using pymatgen
data_KNaGdTaO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72299300
_cell_length_b 5.72299300
_cell_length_c 8.30706900
_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_KNaGdTaO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72299300
_cell_length_b 5.72299300
_cell_length_c 8.30706900
_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
],
[
2.8614965,
2.8614965,
3.5043225294963543e-16
],
[
-1.7521612647481771e-16,
2.8614965,
2.0014470553770005
],
[
2.8614965,
0,
6.305621944623001
],
[
0,
0,
4.1535345
],
[
2.8614965,
2.8614965,
4.1535345
],
[
... | [
[
5.722993,
0,
3.5043225294963543e-16
],
[
-3.5043225294963543e-16,
5.722993,
3.5043225294963543e-16
],
[
0,
0,
8.307069
]
] | [
19,
19,
11,
11,
64,
64,
73,
73,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.120385 | 2.7032 | 0 | 129 | 129 | [
"Gd",
"K",
"Na",
"O",
"Ta"
] |
mp-754693 | mp-754693 | Lu(BiO2)3 | # generated using pymatgen
data_Lu(BiO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96675965
_cell_length_b 6.96675965
_cell_length_c 6.96675950
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Lu(BiO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.12198448
_cell_length_b 10.12198448
_cell_length_c 11.37795827
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0,
0,
0
],
[
3.2738228806716454,
3.4720201202635033,
3.0970378826352345
],
[
6.27663126642145,
3.096298934969309,
4.689643536692366
],
[
4.833402254118256,
6.447589971611009,
2.4581978647381812
],
[
3.7520314768352874,
1.7404334137649673,
... | [
[
6.956039101556952,
0,
-0.38634186736476545
],
[
-0.4083933402136611,
6.9440402405270065,
-0.3863418673647654
],
[
0,
0,
6.9667595
]
] | [
71,
71,
83,
83,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.22427 | 2.1029 | 0.038045 | 148 | 148 | [
"Bi",
"Lu",
"O"
] |
mp-29635 | mp-29635 | PuGa | # generated using pymatgen
data_PuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22244020
_cell_length_b 6.22244020
_cell_length_c 6.22244020
_cell_angle_alpha 118.05399640
_cell_angle_beta 118.05399640
_cell_angle_gamma 93.40497700
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40456000
_cell_length_b 6.40456000
_cell_length_c 8.53453400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... | [
[
1.8674148838015439,
1.280648371335143,
3.1112200998538193
],
[
0.11091153206050142,
3.8419451140054273,
-0.18478496152854948
],
[
3.0294426125908096,
3.589877656372274,
1.1752153812845378
],
[
4.440216922615366,
1.5327158289682956,
-1.1752153818692632
... | [
[
5.49133311934413,
0,
-2.9264351389099943
],
[
-3.513006703482085,
5.12259348534057,
-0.36956992276473755
],
[
0,
0,
6.2224402
]
] | [
94,
94,
94,
94,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.367618 | 0 | 0 | 139 | 139 | [
"Ga",
"Pu"
] |
mp-9577 | mp-9577 | Ca3(AlSi)2 | # generated using pymatgen
data_Ca3(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.76391535
_cell_length_b 9.76391535
_cell_length_c 9.76391535
_cell_angle_alpha 155.83851476
_cell_angle_beta 153.16034070
_cell_angle_gamma 36.42170118
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ca3(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08697800
_cell_length_b 4.53210800
_cell_length_c 18.54973800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.773109587808896,
4.40260958272901,
8.284401422417917
],
[
0.7035628438572495,
0.821328830706011,
3.2872175878715684
],
[
3.067779890763905,
3.5812807520229994,
4.56950219853093
],
[
3.625099890302194,
1.8991801113593099,
7.173437466585346
],
[
... | [
[
3.996466293624517,
0,
-0.8553632720308352
],
[
-0.22512355900336253,
4.40260958272901,
-1.0518322915666651
],
[
0,
0,
9.76391535
]
] | [
20,
20,
20,
13,
13,
14,
14
] | [
1,
1,
1
] | -0.400621 | 0 | 0.027304 | 71 | 71 | [
"Ca",
"Al",
"Si"
] |
mp-8871 | mp-8871 | CsNa2BO3 | # generated using pymatgen
data_CsNa2BO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67828800
_cell_length_b 5.86054900
_cell_length_c 6.32642300
_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_CsNa2BO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67828800
_cell_length_b 5.86054900
_cell_length_c 6.32642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.959127146512,
2.9302745,
3.1632115000000005
],
[
0.7191608534880001,
0,
4.40359018648079e-17
],
[
2.04418368,
2.9302745,
4.862533002761
],
[
2.04418368,
2.9302745,
1.4638899972390003
],
[
3.63410432,
0,
4.627101497239
],
[
3.634... | [
[
5.678288,
0,
3.4769486119184133e-16
],
[
-3.5885512870481106e-16,
5.860549,
3.5885512870481106e-16
],
[
0,
0,
6.326423
]
] | [
55,
55,
11,
11,
11,
11,
5,
5,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.231306 | 3.2576 | 0 | 59 | 59 | [
"Cs",
"Na",
"B",
"O"
] |
mp-642458 | mp-642458 | CeIn4Pd | # generated using pymatgen
data_CeIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86574869
_cell_length_b 8.86574869
_cell_length_c 7.34651600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.81247030
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61727200
_cell_length_b 17.11977800
_cell_length_c 7.34651600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7043038204293166,
5.509887,
6.3191648770783875
],
[
2.7536767929812584,
1.8366289999999998,
1.3442487672900412
],
[
5.907049387905902e-16,
3.6732579999999997,
2.2492218260712037e-16
],
[
3.6437572022548137,
3.332129876056,
4.644461318970041
],
[
... | [
[
4.457980613410574,
0,
-1.2023350456315727
],
[
1.1814098775811805e-15,
7.346516,
4.498443652142408e-16
],
[
0,
0,
8.86574869
]
] | [
58,
58,
49,
49,
49,
49,
49,
49,
49,
49,
46,
46
] | [
1,
1,
1
] | -0.443331 | 0 | 0.014698 | 63 | 63 | [
"Ce",
"In",
"Pd"
] |
mp-12016 | mp-12016 | Rb2SiS3 | # generated using pymatgen
data_Rb2SiS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62519265
_cell_length_b 7.62519265
_cell_length_c 9.81283948
_cell_angle_alpha 58.60736771
_cell_angle_beta 58.60736771
_cell_angle_gamma 54.32381394
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2SiS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.56857399
_cell_length_b 6.96190000
_cell_length_c 9.81283948
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.83583926
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.4487007272473433,
2.895128478309919,
3.1017261991642586
],
[
6.781501424628487,
3.832002564360551,
10.606461320672118
],
[
4.936721085800539,
5.377419651662193,
6.112829145958709
],
[
4.293481066075291,
1.3497113910082743,
7.595358373877669
],
[
... | [
[
6.386655707116778,
0,
2.771043204855273
],
[
2.8435464447590517,
6.727131042670468,
2.191692154672165
],
[
0,
0,
8.74545216030894
]
] | [
37,
37,
37,
37,
14,
14,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.376598 | 2.913 | 0 | 12 | 12 | [
"Rb",
"S",
"Si"
] |
mp-861947 | mp-861947 | LiPm2Ga | # generated using pymatgen
data_LiPm2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22807601
_cell_length_b 5.22807601
_cell_length_c 5.22807601
_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_LiPm2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39361600
_cell_length_b 7.39361600
_cell_length_c 7.39361600
_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
],
[
4.527646637575987,
3.2015296402464504,
7.842114015
],
[
1.5092155458586622,
1.067176546748817,
2.614038004999999
],
[
3.018431091717325,
2.134353093497633,
5.22807601
]
] | [
[
4.5276466375759865,
0,
2.6140380050000003
],
[
1.5092155458586622,
4.268706186995268,
2.6140380050000003
],
[
0,
0,
5.22807601
]
] | [
3,
61,
61,
31
] | [
1,
1,
1
] | -0.300829 | 0 | 0 | 225 | 225 | [
"Li",
"Pm",
"Ga"
] |
mp-1025371 | mp-1025371 | CdPd5Se | # generated using pymatgen
data_CdPd5Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06709100
_cell_length_b 4.06709100
_cell_length_c 7.16381400
_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_CdPd5Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06709100
_cell_length_b 4.06709100
_cell_length_c 7.16381400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0335455,
2.0335455,
2.4903749874955036e-16
],
[
-1.2451874937477518e-16,
2.0335455,
2.0451829312320005
],
[
-1.2451874937477518e-16,
2.0335455,
5.118631068768001
],
[
2.0335455,
0,
2.0451829312320005
],
[
2.0335455,
0,
5.118631068768001... | [
[
4.067091,
0,
2.4903749874955036e-16
],
[
-2.4903749874955036e-16,
4.067091,
2.4903749874955036e-16
],
[
0,
0,
7.163814
]
] | [
48,
46,
46,
46,
46,
46,
34
] | [
1,
1,
1
] | -0.358483 | 0 | 0 | 123 | 123 | [
"Cd",
"Pd",
"Se"
] |
mp-1226657 | mp-1226657 | CeAs2Au | # generated using pymatgen
data_CeAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13981200
_cell_length_b 4.13981200
_cell_length_c 9.98171800
_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_CeAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13981200
_cell_length_b 4.13981200
_cell_length_c 9.98171800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.069906,
0,
7.717145673904001
],
[
-1.2674518787179507e-16,
2.069906,
2.2645723260960002
],
[
2.069906,
0,
3.0654355063900005
],
[
-1.2674518787179507e-16,
2.069906,
6.916282493610001
],
[
2.069906,
2.069906,
2.5349037574359013e-16
],
... | [
[
4.139812,
0,
2.5349037574359013e-16
],
[
-2.5349037574359013e-16,
4.139812,
2.5349037574359013e-16
],
[
0,
0,
9.981718
]
] | [
58,
58,
33,
33,
33,
33,
79,
79
] | [
1,
1,
1
] | -0.789255 | 0 | 0 | 129 | 129 | [
"As",
"Au",
"Ce"
] |
mp-862781 | mp-862781 | AlCrRu2 | # generated using pymatgen
data_AlCrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22925374
_cell_length_b 4.22925374
_cell_length_c 4.22925374
_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_AlCrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98106800
_cell_length_b 5.98106800
_cell_length_c 5.98106800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4417607852602328,
1.7265856092928973,
4.22925374
],
[
0,
0,
0
],
[
3.6626411778903485,
2.5898784139393474,
6.343880609999999
],
[
1.2208803926301173,
0.8632928046464483,
2.1146268700000013
]
] | [
[
3.6626411778903476,
0,
2.1146268699999995
],
[
1.2208803926301168,
3.4531712185857977,
2.1146268699999995
],
[
0,
0,
4.22925374
]
] | [
13,
24,
44,
44
] | [
1,
1,
1
] | -0.356691 | 0 | 0 | 225 | 225 | [
"Al",
"Cr",
"Ru"
] |
mvc-16792 | mvc-16792 | Y(MnS2)2 | # generated using pymatgen
data_Y(MnS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44823409
_cell_length_b 7.44823409
_cell_length_c 7.27563793
_cell_angle_alpha 61.01121100
_cell_angle_beta 61.01121100
_cell_angle_gamma 62.53171772
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y(MnS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.73302799
_cell_length_b 7.73141400
_cell_length_c 7.27563793
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.54005999
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
7.475725698205711,
3.1116864481920414,
12.69206512546335
],
[
6.364106376402695,
0,
7.250171116945755
],
[
4.293672510004362,
3.1116864481920414,
7.204921044490472
],
[
4.293672510004363,
3.1116864481920414,
10.929038089490472
],
[
7.475725698205... | [
[
6.364106376402695,
0,
3.5260540719457554
],
[
2.223238643606031,
6.223372896384083,
3.4355539270351896
],
[
0,
0,
7.44823409
]
] | [
39,
39,
25,
25,
25,
25,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.318147 | 0 | 0.042 | 12 | 12 | [
"Mn",
"S",
"Y"
] |
mp-7390 | mp-7390 | SrGe2 | # generated using pymatgen
data_SrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16988892
_cell_length_b 4.16988892
_cell_length_c 5.19909700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001458
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16988892
_cell_length_b 4.16988892
_cell_length_c 5.19909700
_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
],
[
8.913219792064188e-16,
2.407486667304066,
2.093951914041001
],
[
2.084944000526965,
1.2037433336520327,
3.1051450859590006
]
] | [
[
4.169888001053929,
0,
1.1812331334403306e-15
],
[
-2.084944000526964,
3.611230000956099,
2.553320559339007e-16
],
[
0,
0,
5.199097
]
] | [
38,
32,
32
] | [
1,
1,
1
] | -0.494832 | 0 | 0 | 164 | 164 | [
"Sr",
"Ge"
] |
mp-1226213 | mp-1226213 | CrFe3B2 | # generated using pymatgen
data_CrFe3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09903242
_cell_length_b 4.18706205
_cell_length_c 4.14617540
_cell_angle_alpha 75.45092808
_cell_angle_beta 52.63792282
_cell_angle_gamma 51.91114910
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CrFe3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17663200
_cell_length_b 7.16371600
_cell_length_c 7.25821600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.3621627420688924,
2.716362253538767,
-1.041556983572162
],
[
2.9597383665493937,
0.5323595452882208,
-1.0415569848363853
],
[
1.0956906960208934,
2.1472375641337593,
0.0021467606579549134
],
[
0.5539426224450064,
1.0751777223987498,
2.1018013209182698... | [
[
4.0132193445137965,
0,
-1.041556985144545
],
[
-2.380503817534677,
3.230964418383552,
-1.0415569832742815
],
[
0,
0,
4.18706205
]
] | [
24,
26,
26,
26,
5,
5
] | [
1,
1,
1
] | -0.283027 | 0 | 0.046996 | 42 | 42 | [
"B",
"Cr",
"Fe"
] |
mp-976220 | mp-976220 | NaCdHg2 | # generated using pymatgen
data_NaCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19672572
_cell_length_b 5.19672572
_cell_length_c 5.19672572
_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_NaCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34927999
_cell_length_b 7.34927999
_cell_length_c 7.34927999
_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
],
[
3.000330993346652,
2.1215543911995876,
5.196725719999999
],
[
4.5004964900199775,
3.1823315867993807,
7.79508858
],
[
1.5001654966733258,
1.0607771955997936,
2.59836286
]
] | [
[
4.5004964900199775,
0,
2.5983628599999995
],
[
1.5001654966733258,
4.243108782399174,
2.59836286
],
[
0,
0,
5.19672572
]
] | [
11,
48,
80,
80
] | [
1,
1,
1
] | -0.170754 | 0 | 0.006199 | 225 | 225 | [
"Na",
"Cd",
"Hg"
] |
mp-1219466 | mp-1219466 | Sc2(NbSi)3 | # generated using pymatgen
data_Sc2(NbSi)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77010621
_cell_length_b 7.77010621
_cell_length_c 5.37687600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.43927963
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sc2(NbSi)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71845800
_cell_length_b 13.48790600
_cell_length_c 5.37687600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.688438,
1.6474690818866038,
-0.9427646452134874
],
[
2.688438000000002,
5.016519672935468,
2.947201082286574
],
[
2.688438,
0.0005158326765095504,
1.9519051493373172
],
[
5.376876000000002,
5.015086060042313,
4.9002218023991215
],
[
6.760957606... | [
[
5.376876,
0,
3.292386991406112e-16
],
[
2.5648062846342027e-15,
6.6991256689557455,
-3.833576547185451
],
[
0,
0,
7.77010621
]
] | [
21,
21,
21,
21,
41,
41,
41,
41,
41,
41,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.672808 | 0 | 0.015315 | 38 | 38 | [
"Nb",
"Sc",
"Si"
] |
mp-1225099 | mp-1225099 | FeAg2Sn3S8 | # generated using pymatgen
data_FeAg2Sn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47187162
_cell_length_b 7.47187162
_cell_length_c 7.47187137
_cell_angle_alpha 60.77567374
_cell_angle_beta 60.77567374
_cell_angle_gamma 60.77567135
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_FeAg2Sn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55930207
_cell_length_b 7.55930207
_cell_length_c 18.19424727
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
5.33526758234996,
3.7950029355594186,
9.098167581674465
],
[
3.32477046853306,
2.364926124771186,
5.669691056056191
],
[
5.399631329588903,
6.1599290603306045,
5.471990450797993
],
[
0,
0,
3.735935685
],
[
1.069612304... | [
[
6.520813442588236,
0,
3.647993633865329
],
[
2.139224608294785,
6.1599290603306045,
3.647993633865328
],
[
0,
0,
7.47187137
]
] | [
26,
47,
47,
50,
50,
50,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.641317 | 0.7116 | 0 | 166 | 166 | [
"Ag",
"Fe",
"S",
"Sn"
] |
mp-22146 | mp-22146 | In3Pd5 | # generated using pymatgen
data_In3Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24582200
_cell_length_b 5.77263900
_cell_length_c 11.27670800
_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_In3Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24582200
_cell_length_b 5.77263900
_cell_length_c 11.27670800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.122911,
1.8338230943249998,
9.68906028068
],
[
2.1229109999999998,
4.720142594325,
7.226001719319999
],
[
-1.7673609684957945e-16,
2.8863195,
5.638354
],
[
0,
0,
0
],
[
2.1229109999999998,
3.938815905675,
1.5876477193200003
],
[
... | [
[
4.245822,
0,
2.5998161610247073e-16
],
[
-3.534721936991589e-16,
5.772639,
3.534721936991589e-16
],
[
0,
0,
11.276708
]
] | [
49,
49,
49,
49,
49,
49,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.521466 | 0 | 0 | 55 | 55 | [
"In",
"Pd"
] |
mp-5054 | mp-5054 | Pr(CoP)2 | # generated using pymatgen
data_Pr(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90295819
_cell_length_b 5.90295819
_cell_length_c 5.90295819
_cell_angle_alpha 141.98152567
_cell_angle_beta 141.98152567
_cell_angle_gamma 54.85662894
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Pr(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84543000
_cell_length_b 3.84543000
_cell_length_c 10.47878799
_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
],
[
2.618915577386197,
0.9025064598699823,
1.6989433840247379
],
[
0.5852995129096834,
2.707519379609948,
1.6989433837024424
],
[
2.0583525276400803,
2.319040888997672,
0.07180230154940478
],
[
1.1458625626557999,
1.2909849504822573,... | [
[
3.635723609624453,
0,
-1.2525357108141142
],
[
-0.43150851932857304,
3.6100258394799307,
-1.252535711458705
],
[
0,
0,
5.90295819
]
] | [
59,
27,
27,
15,
15
] | [
1,
1,
1
] | -0.964358 | 0 | 0 | 139 | 139 | [
"Co",
"P",
"Pr"
] |
mp-1190176 | mp-1190176 | Ba3Sn2 | # generated using pymatgen
data_Ba3Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72637500
_cell_length_b 6.72637500
_cell_length_c 18.11405000
_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_Ba3Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72637500
_cell_length_b 6.72637500
_cell_length_c 18.11405000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2960144743749997,
6.150509857125,
2.4842695013
],
[
4.430360525625,
0.575865142875,
11.5412945013
],
[
2.787322357125,
1.0671730256249998,
7.0127820013
],
[
3.9390526428749997,
5.659201974375,
16.0698070013
],
[
0.5758651428749998,
4.430360... | [
[
6.726375,
0,
4.118716806807389e-16
],
[
-4.118716806807389e-16,
6.726375,
4.118716806807389e-16
],
[
0,
0,
18.11405
]
] | [
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.64101 | 0.3901 | 0.004737 | 96 | 96 | [
"Ba",
"Sn"
] |
mp-1213084 | mp-1213084 | CsSrCl3 | # generated using pymatgen
data_CsSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88444900
_cell_length_b 8.19782900
_cell_length_c 11.33868600
_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_CsSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88444900
_cell_length_b 8.19782900
_cell_length_c 11.33868600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.14206988653099978,
3.6158984153200002,
2.8346715000000002
],
[
7.742379113469,
4.58193058468,
8.5040145
],
[
4.084294386531,
0.48301608468,
8.5040145
],
[
3.8001546134689996,
7.7148129153200005,
2.8346715000000007
],
[
0,
0,
0
],
[
... | [
[
7.884449,
0,
4.827832615445275e-16
],
[
-5.019722522403674e-16,
8.197829,
5.019722522403674e-16
],
[
0,
0,
11.338686
]
] | [
55,
55,
55,
55,
38,
38,
38,
38,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.664998 | 5.3136 | 0 | 62 | 62 | [
"Cl",
"Cs",
"Sr"
] |
mp-1078464 | mp-1078464 | MnGe | # generated using pymatgen
data_MnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76188200
_cell_length_b 4.76188200
_cell_length_c 4.76188200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | # generated using pymatgen
data_MnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76188200
_cell_length_b 4.76188200
_cell_length_c 4.76188200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | [
[
3.0337283558520003,
0.6527873558520001,
1.7281536441480003
],
[
0.652787355852,
1.728153644148,
3.0337283558520003
],
[
1.7281536441479999,
3.0337283558520003,
0.6527873558520003
],
[
4.109094644148,
4.109094644148,
4.1090946441480005
],
[
1.6329... | [
[
4.761882,
0,
2.915811774608698e-16
],
[
-2.915811774608698e-16,
4.761882,
2.915811774608698e-16
],
[
0,
0,
4.761882
]
] | [
25,
25,
25,
25,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.12276 | 0 | 0 | 198 | 198 | [
"Ge",
"Mn"
] |
mp-1217545 | mp-1217545 | TbFe11Mo | # generated using pymatgen
data_TbFe11Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69956300
_cell_length_b 6.46463053
_cell_length_c 6.46463053
_cell_angle_alpha 97.86070028
_cell_angle_beta 111.31424136
_cell_angle_gamma 68.68575864
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TbFe11Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69956300
_cell_length_b 8.49421400
_cell_length_c 8.53980200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.564408108955969,
5.982730174866296,
2.5694102499426434
],
[
3.8847875835988037,
4.640319943827199,
2.9726078446086994
],
[
2.689554829151659,
1.3695952065573034,
6.035971102942241
],
[
4.878337134121691,
4.690582638925773,
6.8907786462433185
],
[
... | [
[
4.378117411809657,
0,
1.7082096824974722
],
[
2.2007762061350937,
6.022369410325055,
0.8240744295867609
],
[
0,
0,
6.464630166203385
]
] | [
65,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
42
] | [
1,
1,
1
] | -0.009291 | 0 | 0.008269 | 44 | 44 | [
"Fe",
"Mo",
"Tb"
] |
mp-1186804 | mp-1186804 | Pu2HgGe | # generated using pymatgen
data_Pu2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08972916
_cell_length_b 5.08972916
_cell_length_c 5.08972916
_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_Pu2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19796401
_cell_length_b 7.19796401
_cell_length_c 7.19796401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4692782503141435,
1.0389366142470358,
2.544864579999999
],
[
4.407834750942432,
3.1168098427411093,
7.63459374
],
[
0,
0,
0
],
[
2.938556500628288,
2.0778732284940724,
5.089729159999999
]
] | [
[
4.407834750942432,
0,
2.5448645799999996
],
[
1.4692782503141428,
4.155746456988147,
2.54486458
],
[
0,
0,
5.089729159999999
]
] | [
94,
94,
80,
32
] | [
1,
1,
1
] | -0.26137 | 0 | 0 | 225 | 225 | [
"Ge",
"Hg",
"Pu"
] |
mp-865124 | mp-865124 | NaSr2In | # generated using pymatgen
data_NaSr2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94542877
_cell_length_b 5.94542877
_cell_length_c 5.94542877
_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_NaSr2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40810600
_cell_length_b 8.40810600
_cell_length_c 8.40810600
_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
],
[
5.148892351210868,
3.6408166971407514,
8.918143155
],
[
1.716297450403623,
1.213605565713585,
2.972714385000001
],
[
3.4325949008072456,
2.4272111314271676,
5.94542877
]
] | [
[
5.148892351210869,
0,
2.9727143849999997
],
[
1.7162974504036215,
4.854422262854335,
2.972714385
],
[
0,
0,
5.9454287699999995
]
] | [
11,
38,
38,
49
] | [
1,
1,
1
] | -0.220828 | 0 | 0.018795 | 225 | 225 | [
"In",
"Na",
"Sr"
] |
mp-862660 | mp-862660 | LiEr2Rh | # generated using pymatgen
data_LiEr2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89547561
_cell_length_b 4.89547561
_cell_length_c 4.89547561
_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_LiEr2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92324800
_cell_length_b 6.92324800
_cell_length_c 6.92324800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8264041612447484,
1.9985695487900377,
4.895475610000001
],
[
4.239606241867122,
2.9978543231850554,
7.343213415
],
[
1.413202080622374,
0.9992847743950184,
2.447737805000001
],
[
0,
0,
0
]
] | [
[
4.239606241867121,
0,
2.4477378049999996
],
[
1.4132020806223748,
3.9971390975800736,
2.4477378049999996
],
[
0,
0,
4.89547561
]
] | [
3,
68,
68,
45
] | [
1,
1,
1
] | -0.518118 | 0 | 0.007605 | 225 | 225 | [
"Er",
"Li",
"Rh"
] |
mp-11284 | mp-11284 | CaGa2 | # generated using pymatgen
data_CaGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50590818
_cell_length_b 4.50590818
_cell_length_c 7.38822200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000261
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50590818
_cell_length_b 4.50590818
_cell_length_c 7.38822200
_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,
5.5411665
],
[
0,
0,
1.8470555
],
[
2.2529540011206532,
1.3007436674382058,
7.075183033860001
],
[
-4.628115669310765e-16,
2.601487334876412,
3.381072033860001
],
[
-4.628115669310765e-16,
2.601487334876412,
0.31303896614000076
],... | [
[
4.5059080022413065,
0,
1.2764198527960711e-15
],
[
-2.2529540011206546,
3.9022310023146174,
2.7590730149444376e-16
],
[
0,
0,
7.388222
]
] | [
20,
20,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.519014 | 0 | 0 | 194 | 194 | [
"Ca",
"Ga"
] |
mp-1103067 | mp-1103067 | FePSe | # generated using pymatgen
data_FePSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71437600
_cell_length_b 5.73688200
_cell_length_c 5.80583608
_cell_angle_alpha 67.31281716
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | # generated using pymatgen
data_FePSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73688200
_cell_length_b 5.71437600
_cell_length_c 5.80583608
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.68718284
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.051977964095999876,
1.398094953068036,
1.0865964307336515
],
[
2.9091659640959993,
3.894892326710704,
-0.39639182406035367
],
[
5.662398035903999,
3.894892326710704,
2.5065262159396466
],
[
2.805210035904,
1.398094953068036,
3.9895144707336514
],
[... | [
[
5.714376,
0,
3.4990461387622276e-16
],
[
-3.241019965054345e-16,
5.29298727977874,
-2.212713433326702
],
[
0,
0,
5.80583608
]
] | [
26,
26,
26,
26,
15,
15,
15,
15,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.528998 | 0.2517 | 0.074243 | 14 | 14 | [
"Fe",
"P",
"Se"
] |
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