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-1025413 | mp-1025413 | ThSi2Ni | # generated using pymatgen
data_ThSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.47499731
_cell_length_b 8.47499731
_cell_length_c 4.11021800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.55155059
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ThSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16490600
_cell_length_b 16.43033401
_cell_length_c 4.11021800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0826635000000002,
1.5914505297270445,
6.2781882101846955
],
[
1.0275545000000004,
2.445765897997925,
1.1734198659432253
],
[
3.0826635,
0.15915918323020142,
0.6278745641373209
],
[
1.0275545000000006,
3.8780572444947685,
6.823733511990599
],
[
... | [
[
4.110218,
0,
2.5167826587489175e-16
],
[
6.492339179071124e-16,
4.03721642772497,
-1.0233892338720787
],
[
0,
0,
8.47499731
]
] | [
90,
90,
14,
14,
14,
14,
28,
28
] | [
1,
1,
1
] | -0.821444 | 0 | 0 | 63 | 63 | [
"Th",
"Si",
"Ni"
] |
mp-676666 | mp-676666 | Rb2CeO3 | # generated using pymatgen
data_Rb2CeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42547442
_cell_length_b 6.42547442
_cell_length_c 6.93883762
_cell_angle_alpha 80.96757463
_cell_angle_beta 80.96757463
_cell_angle_gamma 119.84957820
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2CeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44007800
_cell_length_b 11.12080399
_cell_length_c 6.93883762
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.25669669
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
1.4735834323410182,
2.679479829764315,
2.4606617220078073
],
[
-0.05645706280709497,
3.520927598624522,
-1.0087570879921928
],
[
3.0036239274891323,
1.8380320609041085,
-1.0087570879921928
],
[
4.718545412048871,
0.89490875042366... | [
[
6.34579629829857,
0,
-1.0087570879921928
],
[
-3.3986294336165317,
5.35895965952863,
-1.008757087992193
],
[
0,
0,
6.93883762
]
] | [
37,
37,
37,
37,
58,
58,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.707835 | 2.4265 | 0 | 12 | 12 | [
"Ce",
"O",
"Rb"
] |
mp-7924 | mp-7924 | Li2Sn5 | # generated using pymatgen
data_Li2Sn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.34605100
_cell_length_b 10.34605100
_cell_length_c 3.15855000
_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_Li2Sn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.34605100
_cell_length_b 10.34605100
_cell_length_c 3.15855000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5792749999999998,
3.363242528825,
8.536268028824999
],
[
1.5792749999999995,
8.536268028824999,
6.982808471175
],
[
1.5792749999999998,
1.8097829711749998,
3.363242528825
],
[
1.5792749999999993,
6.982808471175,
1.809782971175
],
[
-4.319227683... | [
[
3.15855,
0,
1.9340540737234363e-16
],
[
-6.335129120482636e-16,
10.346051,
6.335129120482636e-16
],
[
0,
0,
10.346051
]
] | [
3,
3,
3,
3,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.181563 | 0 | 0.004647 | 127 | 127 | [
"Li",
"Sn"
] |
mp-1113555 | mp-1113555 | Rb2VAgF6 | # generated using pymatgen
data_Rb2VAgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24571300
_cell_length_b 6.24571314
_cell_length_c 6.24571299
_cell_angle_alpha 59.99999614
_cell_angle_beta 59.99999462
_cell_angle_gamma 59.99999546
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2VAgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83277179
_cell_length_b 8.83277179
_cell_length_c 8.83277179
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.408946087744653,
3.8247022530024704,
9.368569227229772
],
[
1.8029820292482177,
1.2749007510008235,
3.12285640907659
],
[
0,
0,
0
],
[
3.6059640584964354,
2.549801502001647,
6.245712818153182
],
[
2.605427907353826,
3.9647730487134294,
... | [
[
5.4089463070928625,
0,
3.1228564607031073
],
[
1.802981809900008,
5.099603004003294,
3.122856534197056
],
[
0,
0,
6.245712641406199
]
] | [
37,
37,
23,
47,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.708974 | 0 | 0.059893 | 225 | 225 | [
"Ag",
"F",
"Rb",
"V"
] |
mp-1225199 | mp-1225199 | EuTaNO2 | # generated using pymatgen
data_EuTaNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03464000
_cell_length_b 4.03464000
_cell_length_c 4.10939700
_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_EuTaNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03464000
_cell_length_b 4.03464000
_cell_length_c 4.10939700
_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
],
[
2.01732,
2.01732,
2.0546985000000006
],
[
2.01732,
2.01732,
2.4705044808559384e-16
],
[
2.01732,
0,
2.0546985
],
[
-1.2352522404279692e-16,
2.01732,
2.0546985
]
] | [
[
4.03464,
0,
2.4705044808559384e-16
],
[
-2.4705044808559384e-16,
4.03464,
2.4705044808559384e-16
],
[
0,
0,
4.109397
]
] | [
63,
73,
7,
8,
8
] | [
1,
1,
1
] | -2.673473 | 0 | 0.010178 | 123 | 123 | [
"Eu",
"N",
"O",
"Ta"
] |
mp-12965 | mp-12965 | ErNi4B | # generated using pymatgen
data_ErNi4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94143144
_cell_length_b 4.94143144
_cell_length_c 6.94521400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999254
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErNi4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94143144
_cell_length_b 4.94143144
_cell_length_c 6.94521400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.472607
],
[
0,
0,
0
],
[
2.470715998592613,
1.4264683324178626,
6.945214000000001
],
[
8.315835427150129e-16,
2.852936664835725,
6.683148597089906e-16
],
[
1.235357999296307,
2.1397024986267934,
4.9201771183780005
],
[
8.8... | [
[
4.941431997185226,
0,
1.3997937595067619e-15
],
[
-2.470715998592612,
4.279404997253588,
3.025754098101048e-16
],
[
0,
0,
6.945214
]
] | [
68,
68,
28,
28,
28,
28,
28,
28,
28,
28,
5,
5
] | [
1,
1,
1
] | -0.507394 | 0 | 0 | 191 | 191 | [
"Er",
"Ni",
"B"
] |
mp-567164 | mp-567164 | BRh | # generated using pymatgen
data_BRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37697240
_cell_length_b 3.37697240
_cell_length_c 4.19457400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000781
_symmetry_Int_Tables_number 1
_chemical_formula_structural BR... | # generated using pymatgen
data_BRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37697240
_cell_length_b 3.37697240
_cell_length_c 4.19457400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BR... | [
[
0,
0,
0
],
[
0,
0,
2.097287
],
[
-5.69062278830682e-16,
1.9496960009052373,
1.0486435000000005
],
[
1.6884860006773939,
0.9748480004526185,
3.145930500000001
]
] | [
[
3.3769720013547877,
0,
9.566183114971847e-16
],
[
-1.6884860006773947,
2.9245440013578556,
2.0677992202344777e-16
],
[
0,
0,
4.194574
]
] | [
5,
5,
45,
45
] | [
1,
1,
1
] | -0.377962 | 0 | 0 | 194 | 194 | [
"B",
"Rh"
] |
mp-568599 | mp-568599 | Sm(NiSb)2 | # generated using pymatgen
data_Sm(NiSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15228562
_cell_length_b 6.15228562
_cell_length_c 6.15228562
_cell_angle_alpha 138.71580553
_cell_angle_beta 138.71580553
_cell_angle_gamma 59.80845885
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(NiSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33772200
_cell_length_b 4.33772200
_cell_length_c 10.66634000
_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
],
[
0.5827648489413408,
3.0136201946205974,
1.5469686684294603
],
[
2.9004173502459163,
1.0045400648735323,
1.5469686687423592
],
[
1.2712953222415646,
1.466552149670427,
3.374695701131527
],
[
2.2118868769456927,
2.551608109823703,
... | [
[
4.0592436008982045,
0,
-1.529174141101191
],
[
-0.5760614017109471,
4.01816025949413,
-1.5291741417269884
],
[
0,
0,
6.152285619999999
]
] | [
62,
28,
28,
51,
51
] | [
1,
1,
1
] | -0.639614 | 0 | 0.056132 | 139 | 139 | [
"Ni",
"Sb",
"Sm"
] |
mp-16852 | mp-16852 | Ga7Ni3 | # generated using pymatgen
data_Ga7Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33061059
_cell_length_b 7.33061059
_cell_length_c 7.33061059
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ga7Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46466000
_cell_length_b 8.46466000
_cell_length_c 8.46466000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.8639207432387302,
4.489063862011291,
-1.2217684318020912
],
[
2.220446049250313e-16,
2.9927092413408602,
3.6653052949999996
],
[
3.4556829729549237,
2.99270924134086,
-1.2217684322083613
],
[
-0.8639207432387309,
4.489063862011291,
1.2217684318020896
... | [
[
6.911365945909847,
0,
-2.4435368644167217
],
[
-3.4556829729549245,
5.9854184826817205,
-2.4435368627916394
],
[
0,
0,
7.33061059
]
] | [
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.327902 | 0 | 0 | 229 | 229 | [
"Ga",
"Ni"
] |
mvc-15601 | mvc-15601 | CaMnO2 | # generated using pymatgen
data_CaMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32281600
_cell_length_b 8.05115500
_cell_length_c 8.09899895
_cell_angle_alpha 70.39299277
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05115500
_cell_length_b 3.32281600
_cell_length_c 8.09899895
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.60700723
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.492112,
2.290328186306587,
6.721363268170011
],
[
0.8307039999999997,
5.293992025847078,
-1.3240644779846336
],
[
0.8307039999999998,
3.2984056916252054,
1.3615695840463904
],
[
2.4921119999999997,
4.285914520528461,
4.035729206138987
],
[
0.83... | [
[
3.322816,
0,
2.034637989277806e-16
],
[
-4.644056735761281e-16,
7.584320212153666,
-2.7017001598146226
],
[
0,
0,
8.09899895
]
] | [
20,
20,
20,
20,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.615867 | 0 | 0.026742 | 11 | 11 | [
"Ca",
"Mn",
"O"
] |
mp-1176632 | mp-1176632 | LiMnF3 | # generated using pymatgen
data_LiMnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38293200
_cell_length_b 5.46560700
_cell_length_c 7.96218400
_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_LiMnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38293200
_cell_length_b 5.46560700
_cell_length_c 7.96218400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.07800406761199999,
0.113777540919,
1.990546
],
[
2.769470067612,
2.619025959081,
5.9716380000000004
],
[
2.613461932388,
2.846581040919,
1.9905460000000004
],
[
5.304927932388,
5.351829459081,
5.9716380000000004
],
[
2.691466,
0,
1.6480... | [
[
5.382932,
0,
3.29609522191393e-16
],
[
-3.346719058973684e-16,
5.465607,
3.346719058973684e-16
],
[
0,
0,
7.962184
]
] | [
3,
3,
3,
3,
25,
25,
25,
25,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.003479 | 0 | 0.043894 | 62 | 62 | [
"F",
"Li",
"Mn"
] |
mp-1095305 | mp-1095305 | NdSbAu | # generated using pymatgen
data_NdSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67033856
_cell_length_b 4.67033856
_cell_length_c 16.51842500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000795
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67033856
_cell_length_b 4.67033856
_cell_length_c 16.51842500
_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,
8.2592125
],
[
0,
0,
0
],
[
0,
0,
12.38881875
],
[
0,
0,
4.12960625
],
[
2.335168999396228,
1.3482106664135616,
10.090032134875
],
[
-6.169264358181013e-16,
2.6964213328271236,
6.428392865125001
],
[
-6.16926... | [
[
4.670337998792456,
0,
1.322999079866104e-15
],
[
-2.335168999396228,
4.044631999240685,
2.8597575842192294e-16
],
[
0,
0,
16.518425
]
] | [
60,
60,
60,
60,
51,
51,
51,
51,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.978835 | 0 | 0 | 194 | 194 | [
"Au",
"Nd",
"Sb"
] |
mp-22410 | mp-22410 | PbWO4 | # generated using pymatgen
data_PbWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28151691
_cell_length_b 7.28151691
_cell_length_c 7.28151691
_cell_angle_alpha 135.04302243
_cell_angle_beta 135.04302243
_cell_angle_gamma 65.46335970
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PbWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56798000
_cell_length_b 5.56798000
_cell_length_c 12.25059800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1320416496285697,
2.5344880827277994,
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],
[
0.6255912850784335,
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0,
0,
0
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[
3.6384920141787047,
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],
[
2.8270359589092164,
3.941945073804367... | [
[
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0,
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82,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.003274 | 3.6169 | 0.050867 | 88 | 88 | [
"O",
"Pb",
"W"
] |
mp-1283577 | mp-1283577 | CrO | # generated using pymatgen
data_CrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10984559
_cell_length_b 5.44988699
_cell_length_c 4.46821797
_cell_angle_alpha 89.99996102
_cell_angle_beta 90.00008230
_cell_angle_gamma 91.54429763
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrO... | # generated using pymatgen
data_CrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10984559
_cell_length_b 4.46821797
_cell_length_c 5.44988699
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrO... | [
[
2.4648483114369735,
2.233988343112045,
0.47822814799922836
],
[
2.4648350469727767,
0.00011170544924960143,
3.203154216604747
],
[
0.41063585337980313,
4.4681241374171,
0.5336430424406902
],
[
0.41063491401217006,
2.234220690446485,
3.2585360794272953
... | [
[
4.108352843839209,
0,
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[
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4.468217969994471,
0.0000030398597945730033
],
[
0,
0,
5.44988699
]
] | [
24,
24,
24,
24,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.966387 | 2.3962 | 0.005769 | 66 | 66 | [
"Cr",
"O"
] |
mp-1101944 | mp-1101944 | TlPd2 | # generated using pymatgen
data_TlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26706000
_cell_length_b 5.85359000
_cell_length_c 8.60006000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26706000
_cell_length_b 5.85359000
_cell_length_c 8.60006000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
3.2002949999999992,
3.9714852072999998,
7.721770272439999
],
[
3.2002949999999997,
1.0446902073,
5.17831972756
],
[
1.0667649999999997,
1.8821047926999999,
0.87828972756
],
[
1.0667649999999997,
4.808899792699999,
3.42174027244
],
[
3.20029499999... | [
[
4.26706,
0,
2.6128206853848524e-16
],
[
-3.5842901285104776e-16,
5.85359,
3.5842901285104776e-16
],
[
0,
0,
8.60006
]
] | [
81,
81,
81,
81,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.211701 | 0 | 0.006414 | 62 | 62 | [
"Pd",
"Tl"
] |
mp-1206972 | mp-1206972 | Pr2CuGe6 | # generated using pymatgen
data_Pr2CuGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13895200
_cell_length_b 4.19384800
_cell_length_c 11.22909218
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.62008124
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Pr2CuGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13895200
_cell_length_b 22.07349401
_cell_length_c 4.19384800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.1692264874862253,
2.096924,
5.672746905729942
],
[
0.45484517636736355,
2.096924,
2.4257401641179013
],
[
2.2606263735271463,
0,
0.8270921718340505
],
[
2.0256473729338875,
2.096924,
10.803015077806217
],
[
1.5673931663650564,
2.096924,
... | [
[
4.0680551330158,
0,
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],
[
-2.5679912646552642e-16,
4.193848,
2.5679912646552642e-16
],
[
0,
0,
11.22909218
]
] | [
59,
59,
29,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.447845 | 0 | 0.034625 | 38 | 38 | [
"Cu",
"Ge",
"Pr"
] |
mp-1106175 | mp-1106175 | Mg2GeB2Ir5 | # generated using pymatgen
data_Mg2GeB2Ir5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95725800
_cell_length_b 9.47132900
_cell_length_c 9.47132900
_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_Mg2GeB2Ir5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.47132900
_cell_length_b 9.47132900
_cell_length_c 2.95725800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.8886473035621193e-16,
3.0843951168240005,
7.820059616824
],
[
-3.910869068198633e-16,
6.386933883176001,
1.6512693831760006
],
[
-1.0111108823182565e-16,
1.6512693831760001,
3.0843951168240005
],
[
-4.788405489442495e-16,
7.820059616824,
6.38693388317... | [
[
2.957258,
0,
1.8107982719764518e-16
],
[
-5.799516371760752e-16,
9.471329,
5.799516371760752e-16
],
[
0,
0,
9.471329
]
] | [
12,
12,
12,
12,
32,
32,
5,
5,
5,
5,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.500241 | 0 | 0 | 127 | 127 | [
"B",
"Ge",
"Ir",
"Mg"
] |
mp-18222 | mp-18222 | Lu4Ge6Rh7 | # generated using pymatgen
data_Lu4Ge6Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20897213
_cell_length_b 7.20897213
_cell_length_c 7.20897213
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Lu4Ge6Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.32420400
_cell_length_b 8.32420400
_cell_length_c 8.32420400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.3990650801212487e-15,
5.8861010959851585,
3.6044860649999997
],
[
-1.6991710264988713,
2.9430505479925797,
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],
[
3.3983420529977413,
5.886101095985159,
-1.2014953555327064
],
[
1.6991710264988706,
2.9430505479925797,
1.20149535473364... | [
[
6.796684105995484,
0,
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],
[
-3.398342052997743,
5.886101095985159,
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],
[
0,
0,
7.20897213
]
] | [
71,
71,
71,
71,
32,
32,
32,
32,
32,
32,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.962109 | 0 | 0 | 229 | 229 | [
"Ge",
"Lu",
"Rh"
] |
mp-1183884 | mp-1183884 | Eu2MgTl | # generated using pymatgen
data_Eu2MgTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64804794
_cell_length_b 5.64804794
_cell_length_c 5.64804794
_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_Eu2MgTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98754600
_cell_length_b 7.98754600
_cell_length_c 7.98754600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6304509992774554,
1.1529029579814716,
2.82402397
],
[
4.891352997832366,
3.458708873944415,
8.472071909999999
],
[
3.2609019985549113,
2.305805915962944,
5.64804794
],
[
0,
0,
0
]
] | [
[
4.891352997832367,
0,
2.8240239699999994
],
[
1.6304509992774545,
4.611611831925886,
2.824023969999999
],
[
0,
0,
5.64804794
]
] | [
63,
63,
12,
81
] | [
1,
1,
1
] | -0.259592 | 0 | 0 | 225 | 225 | [
"Eu",
"Mg",
"Tl"
] |
mp-1097014 | mp-1097014 | KSnBr3 | # generated using pymatgen
data_KSnBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51932900
_cell_length_b 9.65116500
_cell_length_c 16.28049300
_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_KSnBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51932900
_cell_length_b 9.65116500
_cell_length_c 16.28049300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3894967499999997,
5.605502794815,
2.8090362622200007
],
[
1.1298322499999998,
4.045662205185,
13.47145673778
],
[
3.38949675,
0.779920294815,
5.33121023778
],
[
1.1298322499999995,
8.871244705185001,
10.949282762220001
],
[
1.1298322499999995,
... | [
[
4.519329,
0,
2.7672908970719044e-16
],
[
-5.909634162646483e-16,
9.651165,
5.909634162646483e-16
],
[
0,
0,
16.280493
]
] | [
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19,
19,
19,
50,
50,
50,
50,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.503213 | 2.2706 | 0 | 62 | 62 | [
"Br",
"K",
"Sn"
] |
mp-753411 | mp-753411 | LiMn5O7F | # generated using pymatgen
data_LiMn5O7F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06310286
_cell_length_b 6.06310286
_cell_length_c 6.06310349
_cell_angle_alpha 61.07597354
_cell_angle_beta 61.07597354
_cell_angle_gamma 61.07596905
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiMn5O7F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16144036
_cell_length_b 6.16144036
_cell_length_c 14.72959345
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.6679906962664603,
1.1892095930548217,
2.8273980261240457
],
[
4.387313732924359,
3.127976427334536,
7.436901306597948
],
[
0.09127365559092153,
0.065074407827852,
0.15471726205220623
],
[
1.7466221148831669,
3.173991574092462,
6.051455219038027
],
... | [
[
5.306802262162722,
0,
2.9324164167533895
],
[
1.729945528364025,
5.016915259259288,
2.93241641675339
],
[
0,
0,
6.06310349
]
] | [
3,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -2.141667 | 0 | 0.055072 | 160 | 160 | [
"F",
"Li",
"Mn",
"O"
] |
mp-1207122 | mp-1207122 | CeSi3Pt | # generated using pymatgen
data_CeSi3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67839313
_cell_length_b 5.67839313
_cell_length_c 5.67839313
_cell_angle_alpha 135.30652719
_cell_angle_beta 135.30652719
_cell_angle_gamma 65.05429686
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CeSi3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31797200
_cell_length_b 4.31797200
_cell_length_c 9.57532400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9927969953742164,
2.363551304573688,
-0.830719019383828
],
[
3.207550969523586,
1.4359533538806117,
2.1242891444128635
],
[
0.8732594077392615,
3.404080384270538,
2.1242891442067657
],
[
3.31640101313926,
3.9334081490939097,
2.389077550222225
],
[
... | [
[
3.9936918147368403,
0,
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],
[
-0.6748913088318109,
3.936254060779853,
-1.6417392893680602
],
[
0,
0,
5.67839313
]
] | [
58,
14,
14,
14,
78
] | [
1,
1,
1
] | -0.798687 | 0 | 0 | 107 | 107 | [
"Ce",
"Pt",
"Si"
] |
mp-1184490 | mp-1184490 | GdMgAg2 | # generated using pymatgen
data_GdMgAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99881785
_cell_length_b 4.99881785
_cell_length_c 4.99881785
_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_GdMgAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06939600
_cell_length_b 7.06939600
_cell_length_c 7.06939600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.886068831327406,
2.0407588416027433,
4.998817849999999
],
[
0,
0,
0
],
[
1.4430344156637027,
1.020379420801371,
2.4994089249999987
],
[
4.329103246991108,
3.061138262404114,
7.498226774999999
]
] | [
[
4.329103246991108,
0,
2.499408925
],
[
1.443034415663703,
4.081517683205486,
2.499408925
],
[
0,
0,
4.998817849999999
]
] | [
64,
12,
47,
47
] | [
1,
1,
1
] | -0.294608 | 0 | 0 | 225 | 225 | [
"Ag",
"Gd",
"Mg"
] |
mp-4362 | mp-4362 | Cu2Ag2O3 | # generated using pymatgen
data_Cu2Ag2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84254195
_cell_length_b 6.84254195
_cell_length_c 6.84254195
_cell_angle_alpha 128.04426632
_cell_angle_beta 128.04426632
_cell_angle_gamma 76.55332942
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cu2Ag2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99439400
_cell_length_b 5.99439400
_cell_length_c 10.74318400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.860855347750284,
0.6543330784274906,
3.819062504076511
],
[
3.915536403659883,
3.2716653921374528,
-2.227896387737026
],
[
1.221166236114118,
3.2716653921374523,
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],
[
1.2211662361141176,
3.2716653921374523,
2.5062185457031827
],
... | [
[
5.3887403350915335,
0,
-2.625687916880418
],
[
-1.2793782232723319,
5.2346646274199236,
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],
[
0,
0,
6.84254195
]
] | [
29,
29,
29,
29,
47,
47,
47,
47,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.661954 | 0 | 0.022785 | 141 | 141 | [
"Ag",
"Cu",
"O"
] |
mp-862560 | mp-862560 | Cu3Mo2(HO5)2 | # generated using pymatgen
data_Cu3Mo2(HO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40273900
_cell_length_b 5.68633589
_cell_length_c 7.61052594
_cell_angle_alpha 103.42623327
_cell_angle_beta 106.50203247
_cell_angle_gamma 97.32935825
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Cu3Mo2(HO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40273900
_cell_length_b 5.68633589
_cell_length_c 7.61052594
_cell_angle_alpha 103.42623327
_cell_angle_beta 106.50203247
_cell_angle_gamma 97.32935825
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
1.0863705138236923,
0.46642026093055317,
1.0030380688146845
],
[
2.9460915951919784,
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3.752514399687616
],
[
-0.5738681154447886,
2.705265648159949,
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],
[
2.723935215881978,
3.9000786848575686,
0.34097829530941076
],... | [
[
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0,
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],
[
-1.147736230889577,
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],
[
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]
] | [
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8,
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8,
8
] | [
1,
1,
1
] | -1.434959 | 0.208 | 0.029643 | 2 | 2 | [
"Cu",
"H",
"Mo",
"O"
] |
mp-867860 | mp-867860 | SmZnAu2 | # generated using pymatgen
data_SmZnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91266820
_cell_length_b 4.91266820
_cell_length_c 4.91266820
_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_SmZnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94756200
_cell_length_b 6.94756200
_cell_length_c 6.94756200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.836330307709314,
2.005588394266182,
4.912668199999999
],
[
0,
0,
0
],
[
4.2544954615639705,
3.0083825913992737,
7.369002299999999
],
[
1.4181651538546565,
1.002794197133091,
2.456334099999999
]
] | [
[
4.2544954615639705,
0,
2.4563341000000003
],
[
1.418165153854656,
4.0111767885323655,
2.4563341
],
[
0,
0,
4.912668199999999
]
] | [
62,
30,
79,
79
] | [
1,
1,
1
] | -0.60665 | 0 | 0 | 225 | 225 | [
"Au",
"Sm",
"Zn"
] |
mp-1226609 | mp-1226609 | CeCoSi2Rh | # generated using pymatgen
data_CeCoSi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75115577
_cell_length_b 5.75115577
_cell_length_c 5.75115577
_cell_angle_alpha 139.13898581
_cell_angle_beta 139.13898581
_cell_angle_gamma 59.16299001
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CeCoSi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01512400
_cell_length_b 4.01512400
_cell_length_c 10.00303600
_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
],
[
0.5490745760794271,
2.7946197690879924,
1.4740143221063762
],
[
2.0243450568391537,
2.3277580427835365,
-0.3167143721577939
],
[
1.2161261670132342,
1.3984016493337865,
3.2647430163587
],
[
2.6913966477729607,
0.931539923029331,
... | [
[
3.762557683619727,
0,
-1.401563562911392
],
[
-0.5220864597673396,
3.726159692117323,
-1.4015635628877003
],
[
0,
0,
5.751155769999999
]
] | [
58,
27,
14,
14,
45
] | [
1,
1,
1
] | -0.867827 | 0 | 0.031486 | 119 | 119 | [
"Ce",
"Co",
"Rh",
"Si"
] |
mp-1225742 | mp-1225742 | CuAu4 | # generated using pymatgen
data_CuAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57058178
_cell_length_b 11.57058178
_cell_length_c 11.57058129
_cell_angle_alpha 14.55001430
_cell_angle_beta 14.55001430
_cell_angle_gamma 14.55001389
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CuAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.93041001
_cell_length_b 2.93041001
_cell_length_c 34.33865638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.6289209786186754,
1.5342991182100632,
2.547955210083954
],
[
0.8755350881606248,
0.5109825379508551,
4.712225418229718
],
[
3.461008239182648,
2.019924498562095,
7.600521829417536
],
[
1.707622348724597,
0.9966079183028869,
... | [
[
2.9068196204142946,
0,
0.3710829788236257
],
[
1.4297237069289783,
2.5309070365129505,
0.3710829788236257
],
[
0,
0,
11.57058129
]
] | [
29,
79,
79,
79,
79
] | [
1,
1,
1
] | 0.012961 | 0 | 0.032216 | 166 | 166 | [
"Au",
"Cu"
] |
mp-610522 | mp-610522 | Mn2As | # generated using pymatgen
data_Mn2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61501500
_cell_length_b 3.61501500
_cell_length_c 6.33491700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_Mn2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61501500
_cell_length_b 3.61501500
_cell_length_c 6.33491700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
1.8075075,
0,
2.2350727461060003
],
[
1.8075075,
1.8075075,
2.2135582743098347e-16
],
[
0,
0,
0
],
[
-1.1067791371549174e-16,
1.8075075,
4.099844253894
],
[
1.8075075,
0,
4.677233928942
],
[
-1.1067791371549174e-16,
1.8075075,... | [
[
3.615015,
0,
2.2135582743098347e-16
],
[
-2.2135582743098347e-16,
3.615015,
2.2135582743098347e-16
],
[
0,
0,
6.334917
]
] | [
25,
25,
25,
25,
33,
33
] | [
1,
1,
1
] | -0.164293 | 0 | 0.016086 | 129 | 129 | [
"As",
"Mn"
] |
mp-1205844 | mp-1205844 | K3TmF6 | # generated using pymatgen
data_K3TmF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58306797
_cell_length_b 6.58306797
_cell_length_c 6.58306797
_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_K3TmF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.30986401
_cell_length_b 9.30986401
_cell_length_c 9.30986401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.900368032286552,
1.3437631223799555,
3.291533984999999
],
[
5.701104096859656,
4.031289367139869,
9.874601955
],
[
3.800736064573104,
2.687526244759912,
6.583067969999998
],
[
0,
0,
0
],
[
5.859245123034414,
4.143111959131838,
6.5830679... | [
[
5.701104096859655,
0,
3.291533984999999
],
[
1.900368032286553,
5.375052489519825,
3.2915339849999987
],
[
0,
0,
6.58306797
]
] | [
19,
19,
19,
69,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.568663 | 6.0112 | 0.061771 | 225 | 225 | [
"F",
"K",
"Tm"
] |
mp-1223815 | mp-1223815 | HoCuSe2 | # generated using pymatgen
data_HoCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08012980
_cell_length_b 4.08012980
_cell_length_c 6.41539400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999676
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08012980
_cell_length_b 4.08012980
_cell_length_c 6.41539400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.4654703377073321e-16,
2.355663999904295,
0.07428384712599988
],
[
0,
0,
4.02723150653
],
[
0,
0,
1.5892791402259998
],
[
2.0400649999072455,
1.1778319999521476,
4.753466938118001
]
] | [
[
4.080129999814492,
0,
1.1558067610704723e-15
],
[
-2.0400649999072464,
3.5334959998564432,
2.498358949837865e-16
],
[
0,
0,
6.415394
]
] | [
67,
29,
34,
34
] | [
1,
1,
1
] | -1.444055 | 1.1508 | 0.007835 | 156 | 156 | [
"Cu",
"Ho",
"Se"
] |
mp-28907 | mp-28907 | NbCrF6 | # generated using pymatgen
data_NbCrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76705063
_cell_length_b 5.76704977
_cell_length_c 5.96407278
_cell_angle_alpha 118.91310297
_cell_angle_beta 118.91309455
_cell_angle_gamma 89.99999519
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbCrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76705020
_cell_length_b 5.76705020
_cell_length_c 8.70419064
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.7540858937311685,
2.403784445767962,
-2.7882674951142805
],
[
2.7250395192700534,
3.7343849030161427,
-1.0303261073747962
],
[
0.7831322681922833,
1.0731839885197816,
1.4178634974173594
],
[
3.3911603218502737,
1.20918049732354... | [
[
5.048210320493265,
0,
-2.788267492498227
],
[
-1.5400385330309279,
4.807568891535924,
-2.7882674977303346
],
[
0,
0,
5.9640723802711255
]
] | [
41,
24,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.060667 | 0 | 0.034641 | 139 | 139 | [
"Cr",
"F",
"Nb"
] |
mp-672231 | mp-672231 | La3Ge3Br2 | # generated using pymatgen
data_La3Ge3Br2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68892672
_cell_length_b 9.68892672
_cell_length_c 11.04146113
_cell_angle_alpha 82.05486687
_cell_angle_beta 82.05486687
_cell_angle_gamma 26.16056197
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_La3Ge3Br2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.87507399
_cell_length_b 4.38552000
_cell_length_c 11.04146113
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.15819218
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.097074942530054e-15,
8.773510965862556,
0.6086784067168866
],
[
2.1927599995493603,
3.318924141367096,
1.1455577562373378
],
[
8.675749893800727e-16,
6.02310537259728,
8.556653908530436
],
[
2.192759999549359,
0.5685185481018162,
9.093533258050888
],... | [
[
4.385519999098719,
0,
2.685356514746475e-16
],
[
-2.192759999549357,
9.342029513964375,
-1.3392494652322258
],
[
0,
0,
11.04146113
]
] | [
57,
57,
57,
57,
57,
57,
32,
32,
32,
32,
32,
32,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.385211 | 0 | 0 | 12 | 12 | [
"Br",
"Ge",
"La"
] |
mp-775429 | mp-775429 | Ba4LiBi3O11 | # generated using pymatgen
data_Ba4LiBi3O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16481474
_cell_length_b 6.16481474
_cell_length_c 8.70891700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.60525700
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba4LiBi3O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67219400
_cell_length_b 8.76429200
_cell_length_c 8.70891700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.981277300206055,
3.077568880703692,
6.570921421085
],
[
5.981277300206055,
3.077568880703692,
2.1379955789150005
],
[
3.014213757566733,
6.01345356522618,
2.1379955789150005
],
[
3.014213757566733,
6.01345356522618,
6.570921421085
],
[
3.253563... | [
[
6.164814740000001,
0,
3.774860319338712e-16
],
[
-0.06512221161523699,
6.164470770153397,
3.7748603193387113e-16
],
[
0,
0,
8.708917
]
] | [
56,
56,
56,
56,
3,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.212392 | 0 | 0.047901 | 38 | 38 | [
"Ba",
"Bi",
"Li",
"O"
] |
mp-865602 | mp-865602 | Y2MgAl | # generated using pymatgen
data_Y2MgAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21064017
_cell_length_b 5.21064017
_cell_length_c 5.21064017
_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_Y2MgAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36895800
_cell_length_b 7.36895800
_cell_length_c 7.36895800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5041822523998882,
1.0636174708124162,
2.605320084999998
],
[
4.512546757199664,
3.1908524124372493,
7.815960254999998
],
[
0,
0,
0
],
[
3.008364504799776,
2.1272349416248333,
5.210640169999998
]
] | [
[
4.512546757199665,
0,
2.605320084999999
],
[
1.5041822523998876,
4.254469883249665,
2.605320084999999
],
[
0,
0,
5.210640169999999
]
] | [
39,
39,
12,
13
] | [
1,
1,
1
] | -0.299468 | 0 | 0 | 225 | 225 | [
"Y",
"Mg",
"Al"
] |
mp-1103272 | mp-1103272 | ZrSiNi | # generated using pymatgen
data_ZrSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82116100
_cell_length_b 6.47893700
_cell_length_c 7.30105700
_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_ZrSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82116100
_cell_length_b 6.47893700
_cell_length_c 7.30105700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.95529025,
0.105204979006,
5.947397225858
],
[
0.9552902499999998,
3.344673479006,
5.004188274142
],
[
2.8658707499999996,
6.373732020994001,
1.3536597741420004
],
[
2.86587075,
3.134263520994,
2.2968687258580003
],
[
0.9552902499999997,
5.0... | [
[
3.821161,
0,
2.3397862938383495e-16
],
[
-3.9672047294636775e-16,
6.478937,
3.9672047294636775e-16
],
[
0,
0,
7.301057
]
] | [
40,
40,
40,
40,
14,
14,
14,
14,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.886179 | 0 | 0 | 62 | 62 | [
"Ni",
"Si",
"Zr"
] |
mp-1221515 | mp-1221515 | MnZn4Se5 | # generated using pymatgen
data_MnZn4Se5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06992508
_cell_length_b 7.06992508
_cell_length_c 10.00083607
_cell_angle_alpha 61.90201458
_cell_angle_beta 61.90201458
_cell_angle_gamma 33.55831580
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MnZn4Se5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.53784001
_cell_length_b 4.08194200
_cell_length_c 10.00083607
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.46716991
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.6765999433047802,
6.619876047015267,
10.9524311922424
],
[
2.725458032104427,
1.3271136740345884,
6.37803092098531
],
[
1.4629324160777133,
2.6536049521295886,
2.75199689224945
],
[
4.190350903422685,
3.9725678878489457,
9.121477650843966
],
[
... | [
[
3.978695086760589,
0,
0.9122696478569108
],
[
1.6750653876282926,
6.621233399862237,
1.8268182308405627
],
[
0,
0,
9.132305641734614
]
] | [
25,
30,
30,
30,
30,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.885895 | 0.6375 | 0 | 8 | 8 | [
"Mn",
"Se",
"Zn"
] |
mp-961649 | mp-961649 | ZrFeTe | # generated using pymatgen
data_ZrFeTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32955542
_cell_length_b 4.32955542
_cell_length_c 4.32955542
_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_ZrFeTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12291599
_cell_length_b 6.12291599
_cell_length_c 6.12291599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4996699872084025,
1.767533598683553,
4.32955542
],
[
3.7495049808126044,
2.6513003980253287,
6.494333130000001
],
[
0,
0,
0
]
] | [
[
3.749504980812605,
0,
2.1647777100000005
],
[
1.2498349936042017,
3.535067197367105,
2.1647777100000005
],
[
0,
0,
4.32955542
]
] | [
40,
26,
52
] | [
1,
1,
1
] | -0.672537 | 1.1967 | 0.066546 | 216 | 216 | [
"Zr",
"Fe",
"Te"
] |
mp-6685 | mp-6685 | Cr4FeCuS8 | # generated using pymatgen
data_Cr4FeCuS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00877453
_cell_length_b 7.00877453
_cell_length_c 7.00877453
_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_Cr4FeCuS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.91190400
_cell_length_b 9.91190400
_cell_length_c 9.91190400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
6.031852826978565,
2.1593983116408526,
7.008774530000001
],
[
3.053844309111265,
2.1593983116408513,
8.728128549439685
],
[
4.04651381506703,
4.967091668194543,
7.00877453
],
[
3.053844309111265,
2.1593983116408513,
5.289420510560316
],
[
0,
... | [
[
6.069776792377339,
0,
3.504387265000001
],
[
2.0232589307924447,
5.7226404402383295,
3.5043872650000005
],
[
0,
0,
7.008774529999999
]
] | [
24,
24,
24,
24,
26,
29,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.887311 | 0 | 0.036758 | 216 | 216 | [
"Cr",
"Cu",
"Fe",
"S"
] |
mp-606393 | mp-606393 | NbBr3O | # generated using pymatgen
data_NbBr3O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.93270000
_cell_length_b 11.93270000
_cell_length_c 4.00131200
_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_NbBr3O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.93270000
_cell_length_b 11.93270000
_cell_length_c 4.00131200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7833968699199999,
1.5057635476,
4.4605864524
],
[
0.7833968699199994,
10.426936452400001,
7.4721135476
],
[
3.21791513008,
4.4605864524,
10.426936452400001
],
[
3.2179151300799997,
7.4721135476,
1.5057635476000006
],
[
2.980565304864,
7.176... | [
[
4.001312,
0,
2.4500969665949475e-16
],
[
-7.306671430092811e-16,
11.9327,
7.306671430092811e-16
],
[
0,
0,
11.9327
]
] | [
41,
41,
41,
41,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.815605 | 1.975 | 0.003885 | 113 | 113 | [
"Nb",
"Br",
"O"
] |
mp-1095213 | mp-1095213 | BaFe2S2O | # generated using pymatgen
data_BaFe2S2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11247300
_cell_length_b 6.68942900
_cell_length_c 9.84407800
_cell_angle_alpha 89.99792146
_cell_angle_beta 89.99733882
_cell_angle_gamma 90.00039522
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaFe2S2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11247300
_cell_length_b 6.68942900
_cell_length_c 9.84407800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.056208914450056,
0.1745004447750211,
4.922049420308591
],
[
0.00008196240432832623,
6.5149151718059635,
9.843743216972697
],
[
2.05612643493675,
2.5253464083551536,
8.214503057805405
],
[
4.112209740936408,
4.164162860231767,
3.2925886996080047
],
... | [
[
4.112472995564155,
0,
0.0001910093725445871
],
[
0.00004615421862261121,
6.689428995438975,
-0.00024267486835315925
],
[
0,
0,
9.844078
]
] | [
56,
56,
26,
26,
26,
26,
16,
16,
16,
16,
8,
8
] | [
1,
1,
1
] | -1.491782 | 0 | 0.041145 | 59 | 59 | [
"Ba",
"Fe",
"O",
"S"
] |
mp-1223014 | mp-1223014 | LaCeNiPt | # generated using pymatgen
data_LaCeNiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90628592
_cell_length_b 5.90628592
_cell_length_c 4.40242300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.16601538
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LaCeNiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82961200
_cell_length_b 11.17456600
_cell_length_c 4.40242300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.120775175467709,
2.2012115,
3.199938984248295
],
[
0.46526533605627657,
3.336055830742926e-33,
1.3576148719665952
],
[
1.528740864720808,
4.402423,
4.460769312668078
],
[
2.130765836028934,
2.2012115,
0.3111542447693703
]
] | [
[
3.6227717947509657,
0,
-1.2415524986835016
],
[
7.079636139757366e-16,
4.402423,
2.695706617721344e-16
],
[
0,
0,
5.90628592
]
] | [
57,
58,
28,
78
] | [
1,
1,
1
] | -0.711533 | 0 | 0.036927 | 38 | 38 | [
"Ce",
"La",
"Ni",
"Pt"
] |
mp-265 | mp-265 | TaIr3 | # generated using pymatgen
data_TaIr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92781800
_cell_length_b 3.92781800
_cell_length_c 3.92781800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TaIr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92781800
_cell_length_b 3.92781800
_cell_length_c 3.92781800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
1.9639089999999997,
1.963909,
2.4050948706666794e-16
],
[
1.963909,
0,
1.9639090000000001
],
[
-1.2025474353333397e-16,
1.963909,
1.9639090000000001
]
] | [
[
3.927818,
0,
2.4050948706666794e-16
],
[
-2.4050948706666794e-16,
3.927818,
2.4050948706666794e-16
],
[
0,
0,
3.927818
]
] | [
73,
77,
77,
77
] | [
1,
1,
1
] | -0.700589 | 0 | 0 | 221 | 221 | [
"Ta",
"Ir"
] |
mp-13405 | mp-13405 | Lu(MnGe)2 | # generated using pymatgen
data_Lu(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06166539
_cell_length_b 6.06166539
_cell_length_c 6.06166539
_cell_angle_alpha 142.50302413
_cell_angle_beta 142.50302413
_cell_angle_gamma 54.07180240
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Lu(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89661400
_cell_length_b 3.89661400
_cell_length_c 10.79851600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.6611143885342985,
0.9163211083202283,
1.7784045504353827
],
[
0.6036346586901152,
2.748963324960685,
1.7784045507281552
],
[
2.0147680500155074,
2.261949651741783,
-0.12583546421722647
],
[
1.2499809972089053,
1.40333478153913,... | [
[
3.6898542534563896,
0,
-1.2524281447110033
],
[
-0.4251052062319762,
3.665284433280913,
-1.2524281441254588
],
[
0,
0,
6.06166539
]
] | [
71,
25,
25,
32,
32
] | [
1,
1,
1
] | -0.452579 | 0 | 0 | 139 | 139 | [
"Ge",
"Lu",
"Mn"
] |
mp-1177695 | mp-1177695 | Li3CuS2 | # generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97130510
_cell_length_b 6.97130510
_cell_length_c 6.97130510
_cell_angle_alpha 131.81255472
_cell_angle_beta 128.53926020
_cell_angle_gamma 73.15721688
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69179800
_cell_length_b 6.05299800
_cell_length_c 11.19647400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9671727835259483,
0.09300640705505635,
1.9000282005792786
],
[
3.3796033449519594,
2.7553527474413926,
0.5861140824896903
],
[
2.304176453175856,
1.3311731701931684,
-1.8187396803058904
],
[
1.7166070146018662,
3.993519510579505,
3.8386513016045205
]... | [
[
5.1959223449257,
0,
-2.323565242522193
],
[
-1.1751388771479785,
5.3246926807726735,
-2.6278282361791776
],
[
0,
0,
6.9713051
]
] | [
3,
3,
3,
3,
3,
3,
29,
29,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.21098 | 2.0826 | 0 | 72 | 72 | [
"Cu",
"Li",
"S"
] |
mp-1079725 | mp-1079725 | Er6CoTe2 | # generated using pymatgen
data_Er6CoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28831942
_cell_length_b 8.28831942
_cell_length_c 3.89145400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999534
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Er6CoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28831942
_cell_length_b 8.28831942
_cell_length_c 3.89145400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9457270000000026,
7.1778955094541,
-0.859971741855986
],
[
1.945727000000001,
2.8441908503526214,
6.64622491270577
],
[
1.9457270000000015,
4.33370465910148,
2.502065081560124
],
[
6.517547034886262e-16,
1.7023455884996823,
0.9828494991663971
],
[
... | [
[
3.891454,
0,
2.382828342564582e-16
],
[
2.748106607166428e-15,
7.177895509454101,
-4.144160293795047
],
[
0,
0,
8.28831942
]
] | [
68,
68,
68,
68,
68,
68,
27,
52,
52
] | [
1,
1,
1
] | -0.746883 | 0 | 0 | 189 | 189 | [
"Co",
"Er",
"Te"
] |
mp-1217589 | mp-1217589 | TbCuNi4 | # generated using pymatgen
data_TbCuNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89127130
_cell_length_b 4.89127130
_cell_length_c 3.97817900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999053
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbCuNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89127130
_cell_length_b 4.89127130
_cell_length_c 3.97817900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.978179000000001,
2.8239770712152628,
-4.667544761479107e-7
],
[
3.9781790000000004,
1.411988535607631,
2.4456354166227627
],
[
0,
0,
0
],
[
1.989089500000001,
2.831065253664012,
2.445635182073971
],
[
1.9890895000000002,
0.7024501765794401,... | [
[
3.978179,
0,
2.4359320893926094e-16
],
[
1.6217685332013232e-15,
4.2359656068228935,
-2.4456363501317133
],
[
0,
0,
4.8912713
]
] | [
65,
29,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.308601 | 0 | 0 | 187 | 187 | [
"Cu",
"Ni",
"Tb"
] |
mp-546500 | mp-546500 | NaCNO | # generated using pymatgen
data_NaCNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49080287
_cell_length_b 5.49080287
_cell_length_c 5.49080275
_cell_angle_alpha 39.07587571
_cell_angle_beta 39.07587571
_cell_angle_gamma 39.07586674
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NaCNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67258838
_cell_length_b 3.67258838
_cell_length_c 15.19462149
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5129410918159385,
1.5728553012290778,
3.900185010669375
],
[
0.0038894781367272264,
0.0024344328350113585,
5.479842274141682
],
[
4.586808844816012,
2.870893643622947,
3.546867639395773
],
[
0.4067289956916482,
0.25457256404482587,
4.344648129393928
... | [
[
3.461122090199939,
0,
1.228227233492376
],
[
1.5126351178911428,
3.113085466766443,
1.228227233492376
],
[
0,
0,
5.49080275
]
] | [
11,
6,
7,
8
] | [
1,
1,
1
] | -1.21216 | 4.4404 | 0 | 160 | 160 | [
"Na",
"C",
"N",
"O"
] |
mp-867829 | mp-867829 | LiVRh2 | # generated using pymatgen
data_LiVRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19156071
_cell_length_b 4.19156071
_cell_length_c 4.19156071
_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_LiVRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92776200
_cell_length_b 5.92776200
_cell_length_c 5.92776200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.419998704243159,
1.711197494232996,
4.191560710000001
],
[
0,
0,
0
],
[
3.6299980563647387,
2.566796241349494,
6.287341065000001
],
[
1.2099993521215795,
0.8555987471164983,
2.0957803549999996
]
] | [
[
3.6299980563647383,
0,
2.0957803550000005
],
[
1.2099993521215795,
3.422394988465992,
2.0957803550000005
],
[
0,
0,
4.19156071
]
] | [
3,
23,
45,
45
] | [
1,
1,
1
] | -0.413052 | 0 | 0 | 225 | 225 | [
"Li",
"V",
"Rh"
] |
mp-754231 | mp-754231 | LuTiO3 | # generated using pymatgen
data_LuTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26457300
_cell_length_b 5.64799700
_cell_length_c 7.62027100
_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_LuTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26457300
_cell_length_b 5.64799700
_cell_length_c 7.62027100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.147525748491001,
2.409593664116,
5.71520325
],
[
2.7493337515089995,
5.233592164116001,
5.71520325
],
[
2.515239248491,
0.41440483588400007,
1.9050677500000002
],
[
0.1170472515089998,
3.238403335884,
1.9050677500000002
],
[
0,
0,
0
]... | [
[
5.264573,
0,
3.2236212366637896e-16
],
[
-3.458400723821927e-16,
5.647997,
3.458400723821927e-16
],
[
0,
0,
7.620271
]
] | [
71,
71,
71,
71,
22,
22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.654491 | 0 | 0.061941 | 62 | 62 | [
"Lu",
"O",
"Ti"
] |
mp-1218180 | mp-1218180 | SrNd2Fe2O7 | # generated using pymatgen
data_SrNd2Fe2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.56946331
_cell_length_b 10.56946331
_cell_length_c 10.56946331
_cell_angle_alpha 158.58362017
_cell_angle_beta 158.58362017
_cell_angle_gamma 30.46907986
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_SrNd2Fe2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92776200
_cell_length_b 3.92776200
_cell_length_c 20.39606800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.548177981446254,
2.640986848413162,
2.9058293747525017
],
[
1.8922922474319055,
1.9612126685065525,
-0.5626301669082405
],
[
1.189573215284969,
1.232899444099692,
6.290709425567319
],
[
3.3596276695199254,
3.481990879511188,
7.196943310027076
],
[
... | [
[
3.859364922925899,
0,
-0.7298059456619109
],
[
-0.1380063108807353,
3.8568966627136008,
-0.7298059453992425
],
[
0,
0,
10.56946331
]
] | [
38,
60,
60,
26,
26,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.762154 | 0 | 0.075492 | 107 | 107 | [
"Fe",
"Nd",
"O",
"Sr"
] |
mp-1078300 | mp-1078300 | ScF3 | # generated using pymatgen
data_ScF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73992474
_cell_length_b 5.73992474
_cell_length_c 5.73992470
_cell_angle_alpha 60.08612742
_cell_angle_beta 60.08612742
_cell_angle_gamma 60.08613388
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... | # generated using pymatgen
data_ScF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74739571
_cell_length_b 5.74739571
_cell_length_c 14.05072787
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.315377952429828,
2.3458546699776996,
5.732449157308006
],
[
4.26221149650583,
1.1729273349888505,
7.099816296705531
],
[
2.4465507761975807,
3.4085362188962782,
7.235044367910484
],
[
4.89506056080099,
3.629027791036822,
5.... | [
[
4.975229170485686,
0,
2.8624868073080063
],
[
1.655526734373971,
4.6917093399554,
2.8624868073080063
],
[
0,
0,
5.7399247
]
] | [
21,
21,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -4.297966 | 6.1057 | 0.000466 | 167 | 167 | [
"F",
"Sc"
] |
mp-818 | mp-818 | SiRh | # generated using pymatgen
data_SiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11072000
_cell_length_b 5.59549400
_cell_length_c 6.43825000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | # generated using pymatgen
data_SiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11072000
_cell_length_b 5.59549400
_cell_length_c 6.43825000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | [
[
0.7776799999999998,
3.831704763296,
0.3619455385000003
],
[
2.33304,
1.763789236704,
6.0763044615
],
[
0.7776799999999999,
1.0339577632960002,
2.8571794615000004
],
[
2.3330399999999996,
4.561536236704001,
3.5810705385000006
],
[
0.77767999999999... | [
[
3.11072,
0,
1.9047666455218274e-16
],
[
-3.4262519083741104e-16,
5.595494,
3.4262519083741104e-16
],
[
0,
0,
6.43825
]
] | [
14,
14,
14,
14,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.780385 | 0 | 0 | 62 | 62 | [
"Si",
"Rh"
] |
mp-149 | mp-149 | Si | # generated using pymatgen
data_Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86697465
_cell_length_b 3.86697465
_cell_length_c 3.86697465
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si
_... | # generated using pymatgen
data_Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46872800
_cell_length_b 5.46872800
_cell_length_c 5.46872800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si
_... | [
[
3.348898282690438,
2.3680286851943926,
5.800461974999999
],
[
0,
0,
0
]
] | [
[
3.3488982826904383,
0,
1.9334873249999995
],
[
1.1162994275634788,
3.1573715802591904,
1.9334873249999993
],
[
0,
0,
3.8669746499999995
]
] | [
14,
14
] | [
1,
1,
1
] | 0 | 0.8527 | 0 | 227 | 227 | [
"Si"
] |
mp-1189764 | mp-1189764 | Zr5FeSb3 | # generated using pymatgen
data_Zr5FeSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67345803
_cell_length_b 8.67345803
_cell_length_c 5.79895500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000022
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Zr5FeSb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67345803
_cell_length_b 8.67345803
_cell_length_c 5.79895500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.4497387500000007,
1.920448580310413,
-1.1087714998910554
],
[
1.4497387500000023,
5.590986395675873,
3.2279575292027998
],
[
1.449738750000003,
7.511434975986288,
-2.1191859716280588
],
[
4.349216250000002,
5.590986395675873,
-3.2279574862671017
],
... | [
[
5.798955,
0,
3.55083583957477e-16
],
[
2.87580448330862e-15,
7.511434975986288,
-4.3367289861581595
],
[
0,
0,
8.673458030000003
]
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
26,
26,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.683447 | 0 | 0 | 193 | 193 | [
"Fe",
"Sb",
"Zr"
] |
mp-555901 | mp-555901 | KCuCO3F | # generated using pymatgen
data_KCuCO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06587800
_cell_length_b 5.14786400
_cell_length_c 9.04262800
_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_KCuCO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06587800
_cell_length_b 5.14786400
_cell_length_c 9.04262800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0329389999999994,
3.656790340264,
0.6994382331720004
],
[
2.032939,
1.491073659736,
5.220752233172001
],
[
-2.494472513538248e-16,
4.073782767856001,
6.6222420190080005
],
[
-6.576850714846974e-17,
1.074081232144,
2.100928019008
],
[
-2.4726469... | [
[
4.065878,
0,
2.489632239211821e-16
],
[
-3.152157585022945e-16,
5.147864,
3.152157585022945e-16
],
[
0,
0,
9.042628
]
] | [
19,
19,
29,
29,
6,
6,
8,
8,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | -1.894409 | 0 | 0 | 26 | 26 | [
"C",
"Cu",
"F",
"K",
"O"
] |
mp-1226639 | mp-1226639 | CeDyFe4 | # generated using pymatgen
data_CeDyFe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15321603
_cell_length_b 5.15321603
_cell_length_c 5.15321603
_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_CeDyFe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28774800
_cell_length_b 7.28774800
_cell_length_c 7.28774800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.462815993169193,
3.1556874519577125,
7.729824045000002
],
[
0,
0,
0
],
[
2.9752136373234577,
3.6773394180993995,
5.15321603
],
[
2.233435602650827,
1.5792743042904103,
3.8684187860084163
],
[
2.233435602650827,
1.5792743042904103,
6.438... | [
[
4.462815993169193,
0,
2.576608015000001
],
[
1.4876053310563975,
4.207583269276951,
2.5766080150000006
],
[
0,
0,
5.15321603
]
] | [
58,
66,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.065118 | 0 | 0.015108 | 216 | 216 | [
"Ce",
"Dy",
"Fe"
] |
mp-1901 | mp-1901 | NaO2 | # generated using pymatgen
data_NaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47402700
_cell_length_b 4.22964400
_cell_length_c 5.67466200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na... | # generated using pymatgen
data_NaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47402700
_cell_length_b 4.22964400
_cell_length_c 5.67466200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na... | [
[
1.7370134999999998,
2.114822,
2.8373310000000003
],
[
0,
0,
0
],
[
1.7370135,
1.6247077718560003,
5.209004910942
],
[
1.7370134999999998,
2.604936228144,
0.4656570890580003
],
[
-3.0010841035656264e-17,
0.4901142281440001,
2.371673910942
... | [
[
3.474027,
0,
2.127228022850741e-16
],
[
-2.589909993066404e-16,
4.229644,
2.589909993066404e-16
],
[
0,
0,
5.674662
]
] | [
11,
11,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.914059 | 0 | 0 | 58 | 58 | [
"Na",
"O"
] |
mp-1188262 | mp-1188262 | TbScS3 | # generated using pymatgen
data_TbScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41096300
_cell_length_b 7.04723500
_cell_length_c 9.55581700
_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_TbScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41096300
_cell_length_b 7.04723500
_cell_length_c 9.55581700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.4673757495129998,
2.813686093335,
7.16686275
],
[
2.943587250486999,
4.233548906665,
2.3889542500000003
],
[
0.26189424951299994,
0.709931406665,
2.38895425
],
[
6.149068750487,
6.337303593334999,
7.16686275
],
[
-2.1575934463972994e-16,
3.... | [
[
6.410963,
0,
3.925582658701056e-16
],
[
-4.3151868927945987e-16,
7.047235,
4.3151868927945987e-16
],
[
0,
0,
9.555817
]
] | [
65,
65,
65,
65,
21,
21,
21,
21,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.291525 | 1.7696 | 0.003752 | 62 | 62 | [
"S",
"Sc",
"Tb"
] |
mp-996993 | mp-996993 | CuBrO2 | # generated using pymatgen
data_CuBrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77470407
_cell_length_b 3.77470407
_cell_length_c 6.05042027
_cell_angle_alpha 82.20752454
_cell_angle_beta 82.20752454
_cell_angle_gamma 46.26989465
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CuBrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94230000
_cell_length_b 2.96614800
_cell_length_c 6.05042027
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.47874377
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4830740002637355,
0,
1.6753706225397962e-16
],
[
0,
0,
3.025210135
],
[
3.2639423587158815e-16,
0.5640562181278779,
4.960961290739899
],
[
1.4830740002637355,
2.869156304105911,
0.5776639978531065
]
] | [
[
2.966148000527471,
0,
1.8162418273216444e-16
],
[
-1.4830740002637355,
3.433212522233789,
-0.5117949814069942
],
[
0,
0,
6.05042027
]
] | [
29,
35,
8,
8
] | [
1,
1,
1
] | -0.555255 | 0 | 0.029368 | 12 | 12 | [
"Br",
"Cu",
"O"
] |
mp-1576 | mp-1576 | TmNi2 | # generated using pymatgen
data_TmNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02674008
_cell_length_b 5.02674008
_cell_length_c 5.02674008
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TmNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10888400
_cell_length_b 7.10888400
_cell_length_c 7.10888400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
2.9021897383342803,
2.052158044266182,
5.02674008
],
[
1.45109486916714,
1.0260790221330902,
2.513370039999999
],
[
4.35328460750142,
1.5391185331996367,
7.54011012
],
[
5.07883204208499,
3.591276577465819,
8.796795139999999
],
[
5.07883204208499... | [
[
4.353284607501421,
0,
2.5133700399999994
],
[
1.4510948691671395,
4.104316088532364,
2.5133700399999994
],
[
0,
0,
5.02674008
]
] | [
69,
69,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.49742 | 0 | 0 | 227 | 227 | [
"Ni",
"Tm"
] |
mp-581707 | mp-581707 | ZrInAu2 | # generated using pymatgen
data_ZrInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83527819
_cell_length_b 4.83527819
_cell_length_c 4.83527819
_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_ZrInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83811599
_cell_length_b 6.83811599
_cell_length_c 6.83811599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.791649164603226,
1.9739940549847028,
4.835278190000001
],
[
0,
0,
0
],
[
1.3958245823016138,
0.9869970274923523,
2.4176390950000024
],
[
4.18747374690484,
2.960991082477053,
7.2529172850000005
]
] | [
[
4.18747374690484,
0,
2.4176390950000006
],
[
1.3958245823016135,
3.947988109969404,
2.4176390950000006
],
[
0,
0,
4.83527819
]
] | [
40,
49,
79,
79
] | [
1,
1,
1
] | -0.449047 | 0 | 0.011713 | 225 | 225 | [
"Zr",
"In",
"Au"
] |
mp-1188279 | mp-1188279 | Ca3UO6 | # generated using pymatgen
data_Ca3UO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98232900
_cell_length_b 5.76153900
_cell_length_c 8.37781533
_cell_angle_alpha 89.54831435
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca3UO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76153900
_cell_length_b 5.98232900
_cell_length_c 8.37781533
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.45168565
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.3211812931763935,
2.85997202503,
6.315308224225716
],
[
1.440178673620037,
5.85113652503,
2.107927162097788
],
[
4.271604790662111,
5.550189482356,
8.358073853875462
],
[
1.4897551761343197,
2.559024982356001,
0.06516153244804258
],
[
1.3380873... | [
[
5.761359966796432,
0,
0.045420056323504994
],
[
-3.663120030648193e-16,
5.982329,
3.663120030648193e-16
],
[
0,
0,
8.37781533
]
] | [
20,
20,
20,
20,
20,
20,
92,
92,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.581029 | 2.2026 | 0.038748 | 4 | 4 | [
"Ca",
"O",
"U"
] |
mp-1078329 | mp-1078329 | ZnPbO3 | # generated using pymatgen
data_ZnPbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82219351
_cell_length_b 5.82219351
_cell_length_c 5.82219379
_cell_angle_alpha 56.55887225
_cell_angle_beta 56.55887225
_cell_angle_gamma 56.55886678
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZnPbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51678631
_cell_length_b 5.51678631
_cell_length_c 14.62110283
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2924909792145027,
2.2708669041828418,
5.524307508679719
],
[
0.0002633782080805138,
0.00018165481994903145,
5.821704222759673
],
[
5.150591314946517,
3.5524189520707643,
7.892665614082034
],
[
1.8583637139400953,
1.2817337027078721,
2.3678685381619875
... | [
[
4.8583439594556515,
0,
2.6137001809200457
],
[
1.7261112425571923,
4.541370498725785,
2.6137001809200457
],
[
0,
0,
5.82219379
]
] | [
30,
30,
82,
82,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.473593 | 0 | 0.022554 | 161 | 161 | [
"O",
"Pb",
"Zn"
] |
mp-4582 | mp-4582 | NdRhO3 | # generated using pymatgen
data_NdRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40954800
_cell_length_b 5.90936400
_cell_length_c 7.84659200
_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_NdRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40954800
_cell_length_b 5.90936400
_cell_length_c 7.84659200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.560571678964,
3.421710855648,
5.884944000000001
],
[
5.265345678964,
5.4423351443520005,
1.9616480000000007
],
[
0.14420232103599998,
0.467028855648,
5.884944
],
[
2.8489763210360004,
2.487653144352,
1.9616480000000003
],
[
2.704774,
0,
... | [
[
5.409548,
0,
3.312392821516983e-16
],
[
-3.6184418537983e-16,
5.909364,
3.6184418537983e-16
],
[
0,
0,
7.846592
]
] | [
60,
60,
60,
60,
45,
45,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.495163 | 0.6491 | 0 | 62 | 62 | [
"Nd",
"O",
"Rh"
] |
mp-1216811 | mp-1216811 | TiVCuS4 | # generated using pymatgen
data_TiVCuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.03685648
_cell_length_b 7.03685648
_cell_length_c 7.03685648
_cell_angle_alpha 120.13600273
_cell_angle_beta 119.88325561
_cell_angle_gamma 89.98346200
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TiVCuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02238600
_cell_length_b 7.04927000
_cell_length_c 9.95305400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0164775691964822,
2.876298840146699,
8.789858366929861
],
[
4.059341387562233,
2.876298840146699,
3.504988204887846
],
[
4.059341387562234,
2.876298840146699,
7.023416445181484
],
[
3.042863818365751,
2.0893033362912446e-16,
8.788842799132537
],
[
... | [
[
6.085727636731502,
0,
3.5039726370905213
],
[
2.032955138392964,
5.752597680293398,
3.5060037726851703
],
[
0,
0,
7.036856480587276
]
] | [
22,
22,
23,
23,
29,
29,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.250443 | 0 | 0.023647 | 74 | 74 | [
"Cu",
"S",
"Ti",
"V"
] |
mp-10552 | mp-10552 | RbBSe3 | # generated using pymatgen
data_RbBSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.70116300
_cell_length_b 6.28383900
_cell_length_c 7.50395862
_cell_angle_alpha 75.34263111
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbBSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28383900
_cell_length_b 12.70116300
_cell_length_c 7.50395862
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.65736889
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.970609682924162,
1.873705692456845,
0.9882901941929985
],
[
3.556360817266318,
5.386046307608422,
7.338871694193001
],
[
0.41444131726631767,
5.386046307608422,
11.712872805807
],
[
0.8286901829241624,
1.873705692456845,
5.362291305807
],
[
2.9... | [
[
6.283839000000001,
0,
3.8477416588536534e-16
],
[
-1.8987879998095214,
7.2597520000652676,
4.594849452458595e-16
],
[
0,
0,
12.701163
]
] | [
37,
37,
37,
37,
5,
5,
5,
5,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.832793 | 1.5901 | 0.002149 | 14 | 14 | [
"B",
"Rb",
"Se"
] |
mp-1187437 | mp-1187437 | ThCdCu2 | # generated using pymatgen
data_ThCdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81758638
_cell_length_b 4.81758638
_cell_length_c 4.81758638
_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_ThCdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81309600
_cell_length_b 6.81309600
_cell_length_c 6.81309600
_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
],
[
2.781434793337275,
1.9667714037969903,
4.81758638
],
[
1.390717396668637,
0.9833857018984943,
2.40879319
],
[
4.172152190005912,
2.9501571056954856,
7.226379570000001
]
] | [
[
4.172152190005912,
0,
2.4087931900000004
],
[
1.3907173966686375,
3.9335428075939807,
2.4087931900000004
],
[
0,
0,
4.81758638
]
] | [
90,
48,
29,
29
] | [
1,
1,
1
] | -0.150006 | 0 | 0.018266 | 225 | 225 | [
"Cd",
"Cu",
"Th"
] |
mp-1029262 | mp-1029262 | VZn2N3 | # generated using pymatgen
data_VZn2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55534113
_cell_length_b 5.55534113
_cell_length_c 5.29171700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.30310000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_VZn2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61375600
_cell_length_b 9.58817000
_cell_length_c 5.29171700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.849467895009,
4.059628839607653,
2.376862921115711
],
[
0.20360939500900047,
0.7848663555594054,
0.4595296299896879
],
[
0.14139996995700033,
4.025092433361308,
0.506608130847411
],
[
0.14139996995700044,
2.4117834879619684,
3.262103815413782
],
[
... | [
[
5.291717,
0,
3.2402421430218175e-16
],
[
-2.966397767123035e-16,
4.844495195167059,
-2.7189485788946004
],
[
0,
0,
5.55534113
]
] | [
23,
23,
30,
30,
30,
30,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.579128 | 1.3256 | 0 | 36 | 36 | [
"V",
"Zn",
"N"
] |
mp-5168 | mp-5168 | AlSiP3 | # generated using pymatgen
data_AlSiP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89959000
_cell_length_b 6.14251400
_cell_length_c 9.90648900
_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_AlSiP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89959000
_cell_length_b 6.14251400
_cell_length_c 9.90648900
_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
],
[
2.949795,
3.071257,
4.9532445
],
[
2.949795,
3.071257,
3.686831029649885e-16
],
[
0,
0,
4.9532445
],
[
5.8974071517,
3.459758725472,
7.429866750000001
],
[
0.0021828482999998356,
2.682755274528,
2.47662225
]... | [
[
5.89959,
0,
3.6124570048908665e-16
],
[
-3.7612050544089026e-16,
6.142514,
3.7612050544089026e-16
],
[
0,
0,
9.906489
]
] | [
13,
13,
13,
13,
14,
14,
14,
14,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.311758 | 0.2886 | 0.007224 | 62 | 62 | [
"Al",
"P",
"Si"
] |
mp-753755 | mp-753755 | Bi3O4F | # generated using pymatgen
data_Bi3O4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.23033185
_cell_length_b 9.23033185
_cell_length_c 5.83210803
_cell_angle_alpha 81.62377079
_cell_angle_beta 81.62377079
_cell_angle_gamma 36.68697191
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Bi3O4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.52262001
_cell_length_b 5.80981000
_cell_length_c 5.83210803
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.82812554
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.13356090780839586,
2.7282233022122635,
5.860867963473854
],
[
3.7402683229831237,
2.8815080018802863,
-1.7116127554076408
],
[
3.220374915715852,
5.602106833919574,
4.371906843693283
],
[
1.3261377735825577,
5.7630160037605735,
-1.382669468735152
],
... | [
[
5.514595502216528,
0,
-1.8284224674110945
],
[
-0.2816866618526885,
5.7630160037605735,
-0.8495782709817081
],
[
0,
0,
9.230331850000002
]
] | [
83,
83,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | -1.82163 | 2.143 | 0.035433 | 5 | 5 | [
"Bi",
"F",
"O"
] |
mp-995193 | mp-995193 | Si3H | # generated using pymatgen
data_Si3H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86181707
_cell_length_b 3.86181707
_cell_length_c 11.30219900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001839
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Si3H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86181707
_cell_length_b 3.86181707
_cell_length_c 11.30219900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.930907998275462,
1.114810665755462,
5.255963320761
],
[
5.818912756491471e-16,
2.2296213315109243,
6.046235679239
],
[
1.930907998275462,
1.114810665755462,
2.863242583664999
],
[
5.818912756491471e-16,
2.2296213315109243,
8.438956416335001
],
[
... | [
[
3.861815996550923,
0,
1.0939634372009226e-15
],
[
-1.930907998275462,
3.344431997266387,
2.364680956834055e-16
],
[
0,
0,
11.302199
]
] | [
14,
14,
14,
14,
14,
14,
1,
1
] | [
1,
1,
1
] | -0.009136 | 0.9321 | 0.03172 | 164 | 164 | [
"H",
"Si"
] |
mp-1029077 | mp-1029077 | MoW(SeS)2 | # generated using pymatgen
data_MoW(SeS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25156261
_cell_length_b 3.25156261
_cell_length_c 36.90117900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001244
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_MoW(SeS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25156261
_cell_length_b 3.25156261
_cell_length_c 36.90117900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.6257809993034635,
0.9386453329165294,
33.434571541203
],
[
-1.9434683486999717e-16,
1.8772906658330593,
3.466607458797
],
[
1.6257809993034635,
0.9386453329165294,
10.398973649273996
],
[
-1.9434683486999717e-16,
1.8772906658330593,
26.502205350726
]... | [
[
3.251561998606927,
0,
9.210925490610775e-16
],
[
-1.6257809993034638,
2.8159359987495884,
1.991007871281857e-16
],
[
0,
0,
36.901179
]
] | [
42,
42,
74,
74,
34,
34,
34,
34,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.056183 | 0.9816 | 0.059794 | 164 | 164 | [
"Mo",
"S",
"Se",
"W"
] |
mp-18803 | mp-18803 | Na2WO4 | # generated using pymatgen
data_Na2WO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56267501
_cell_length_b 6.56267501
_cell_length_c 6.56267501
_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_Na2WO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28102400
_cell_length_b 9.28102400
_cell_length_c 9.28102400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.78896218362753,
4.688601493979226,
9.844012515000001
],
[
6.630683821348178,
4.688601493979226,
8.203343762500001
],
[
5.683443275441295,
2.009400640276811,
9.844012515000001
],
[
6.630683821348178,
4.688601493979226,
11.484681267500001
],
[
3.... | [
[
5.683443275441295,
0,
3.281337505000001
],
[
1.894481091813765,
5.35840170740483,
3.2813375050000007
],
[
0,
0,
6.56267501
]
] | [
11,
11,
11,
11,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.220404 | 4.9163 | 0 | 227 | 227 | [
"Na",
"W",
"O"
] |
mp-15205 | mp-15205 | Dy2Si5Ni3 | # generated using pymatgen
data_Dy2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86499918
_cell_length_b 7.86499918
_cell_length_c 7.86499918
_cell_angle_alpha 137.92548006
_cell_angle_beta 105.00799109
_cell_angle_gamma 89.92965941
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64667600
_cell_length_b 9.57494600
_cell_length_c 11.12961400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.403006604624145,
2.669865138176015,
9.546996650331101
],
[
2.108937833505197,
4.5885957135699496,
2.3816891034325507
],
[
3.563006121780601,
0.7642143092369257,
6.466061290891863
],
[
3.9489383163487397,
6.494246542509038,
5.46262446287179
],
[
... | [
[
5.270309114647215,
0,
2.027015457079419
],
[
2.2416353234821265,
7.258460851745964,
2.0366711176793157
],
[
0,
0,
7.8649991790049185
]
] | [
66,
66,
66,
66,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.756955 | 0 | 0.006177 | 72 | 72 | [
"Dy",
"Ni",
"Si"
] |
mp-11427 | mp-11427 | GdPd | # generated using pymatgen
data_GdPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69069820
_cell_length_b 5.69069820
_cell_length_c 4.58778000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 141.20712516
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | # generated using pymatgen
data_GdPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77979000
_cell_length_b 10.73542601
_cell_length_c 4.58778000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | [
[
3.0761861711508343,
1.1469450000000003,
3.04633983690285
],
[
0.4890754600440526,
3.4408350000000008,
1.3890807186491059
],
[
2.091011685649276,
1.1469450000000003,
0.24822994565619988
],
[
1.4742499455456106,
3.4408350000000008,
4.187190609895755
]
] | [
[
3.565261631194886,
0,
-1.255277644448045
],
[
7.377712929733479e-16,
4.58778,
2.809205046096122e-16
],
[
0,
0,
5.6906982
]
] | [
64,
64,
46,
46
] | [
1,
1,
1
] | -0.891114 | 0 | 0 | 63 | 63 | [
"Gd",
"Pd"
] |
mp-1105728 | mp-1105728 | Ba(GaP)2 | # generated using pymatgen
data_Ba(GaP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.78126800
_cell_length_b 7.42195500
_cell_length_c 7.49466707
_cell_angle_alpha 64.65976758
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ba(GaP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42195500
_cell_length_b 9.78126800
_cell_length_c 7.49466707
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.34023242
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.3811112108185317,
1.5181754100219853,
5.885349830528001
],
[
3.437012788689643,
1.868598090582534,
0.9947158305279995
],
[
1.8331817881978179,
5.255371591187053,
3.895918169472001
],
[
0.7772802103267062,
4.904948910626504,
8.786552169472001
],
[
... | [
[
7.421955,
0,
4.544636717082846e-16
],
[
-3.2076620009836505,
6.773547001209038,
4.589160018975286e-16
],
[
0,
0,
9.781268
]
] | [
56,
56,
56,
56,
31,
31,
31,
31,
31,
31,
31,
31,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.656234 | 1.3414 | 0 | 14 | 14 | [
"Ba",
"Ga",
"P"
] |
mp-1184021 | mp-1184021 | Cu3Ge | # generated using pymatgen
data_Cu3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29147545
_cell_length_b 5.29147545
_cell_length_c 4.21363500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999308
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cu3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29147545
_cell_length_b 5.29147545
_cell_length_c 4.21363500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1602262500000013,
3.8272974255116097,
-1.3375928551882847
],
[
3.1602262500000005,
1.5105146970199714,
0.000002463302623898306
],
[
3.1602262500000013,
3.8272974255116097,
1.337597222166415
],
[
1.0534087500000002,
0.7552550572337449,
3.983330026722352... | [
[
4.213635,
0,
2.580107307762629e-16
],
[
1.7544616996628844e-15,
4.5825524827453545,
-2.645738278465934
],
[
0,
0,
5.29147545
]
] | [
29,
29,
29,
29,
29,
29,
32,
32
] | [
1,
1,
1
] | -0.002594 | 0 | 0.003113 | 194 | 194 | [
"Cu",
"Ge"
] |
mp-1104961 | mp-1104961 | Bi8Pt5I3 | # generated using pymatgen
data_Bi8Pt5I3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.52772687
_cell_length_b 9.52772687
_cell_length_c 13.68822698
_cell_angle_alpha 67.83083350
_cell_angle_beta 67.83083350
_cell_angle_gamma 24.28909444
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Bi8Pt5I3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.62899199
_cell_length_b 4.00886200
_cell_length_c 13.68822698
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.70463940
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.688003510367656,
6.470127191506234,
9.216228652336104
],
[
0.8341633305381565,
2.40319821245697,
7.889677749196933
],
[
2.257231603207088,
5.511293395004777,
11.884926120234955
],
[
3.2649352376987246,
3.3620320089584275,
5.2209802812980834
],
[
... | [
[
3.9637987358299025,
0,
0.5993947863667479
],
[
1.5583681050759097,
8.873325403963202,
3.1005103505364042
],
[
0,
0,
13.406001264629884
]
] | [
83,
83,
83,
83,
83,
83,
83,
83,
78,
78,
78,
78,
78,
53,
53,
53
] | [
1,
1,
1
] | -0.364349 | 0 | 0.022337 | 12 | 12 | [
"Bi",
"I",
"Pt"
] |
mp-19727 | mp-19727 | PbCN2 | # generated using pymatgen
data_PbCN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92452000
_cell_length_b 5.59567000
_cell_length_c 12.42091600
_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_PbCN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92452000
_cell_length_b 5.59567000
_cell_length_c 12.42091600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9811299999999998,
2.14218475043,
7.808458527064001
],
[
2.94339,
3.4534852495700004,
4.612457472936001
],
[
0.9811299999999996,
4.94001975043,
10.822915472936
],
[
2.94339,
0.65565024957,
1.598000527064
],
[
0.98113,
0.66703184235,
4.96... | [
[
3.92452,
0,
2.4030754280948853e-16
],
[
-3.426359677292435e-16,
5.59567,
3.426359677292435e-16
],
[
0,
0,
12.420916
]
] | [
82,
82,
82,
82,
6,
6,
6,
6,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.06425 | 1.9315 | 0 | 62 | 62 | [
"C",
"N",
"Pb"
] |
mp-1106000 | mp-1106000 | La3Tl5 | # generated using pymatgen
data_La3Tl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91979778
_cell_length_b 6.91979778
_cell_length_c 10.56420400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.91121510
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_La3Tl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62374000
_cell_length_b 10.82430200
_cell_length_c 10.56420400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.4191720914082246,
4.291658990977751,
7.923153000000001
],
[
1.954459762469388,
2.453188838661627,
2.6410510000000005
],
[
0.1624602669383504,
5.3835824061180695,
5.282102
],
[
0.1624602669383504,
5.3835824061180695,
4.237154101011981e-16
],
[
5... | [
[
6.91979778,
0,
4.2371541010119803e-16
],
[
-1.5461659261223886,
6.744847829639378,
4.2371541010119803e-16
],
[
0,
0,
10.564204
]
] | [
57,
57,
57,
57,
57,
57,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | -0.415723 | 0 | 0 | 63 | 63 | [
"La",
"Tl"
] |
mp-1187583 | mp-1187583 | Tm2PtRh | # generated using pymatgen
data_Tm2PtRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83282878
_cell_length_b 4.83282878
_cell_length_c 4.83282878
_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_Tm2PtRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83465201
_cell_length_b 6.83465201
_cell_length_c 6.83465201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.185352495620556,
2.959491131309335,
7.249243169999999
],
[
1.395117498540185,
0.9864970437697773,
2.416414389999999
],
[
2.7902349970803706,
1.9729940875395564,
4.83282878
],
[
0,
0,
0
]
] | [
[
4.185352495620556,
0,
2.4164143899999995
],
[
1.3951174985401853,
3.945988175079113,
2.41641439
],
[
0,
0,
4.832828779999999
]
] | [
69,
69,
78,
45
] | [
1,
1,
1
] | -1.111386 | 0 | 0.040237 | 225 | 225 | [
"Pt",
"Rh",
"Tm"
] |
mp-1183542 | mp-1183542 | Cd | # generated using pymatgen
data_Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10966633
_cell_length_b 3.10966633
_cell_length_c 3.10966629
_cell_angle_alpha 63.80234857
_cell_angle_beta 63.80234857
_cell_angle_gamma 63.80234830
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd
_... | # generated using pymatgen
data_Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28664199
_cell_length_b 3.28664199
_cell_length_c 7.39081692
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd
... | [
[
0,
0,
0
]
] | [
[
2.7902304161681726,
0,
1.3728215137539386
],
[
0.8545451862563335,
2.6561510310891854,
1.3728215137539386
],
[
0,
0,
3.10966629
]
] | [
48
] | [
1,
1,
1
] | 0.018159 | 0 | 0.018159 | 166 | 166 | [
"Cd"
] |
mp-1185448 | mp-1185448 | Lu2CdHg | # generated using pymatgen
data_Lu2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17949495
_cell_length_b 5.17949495
_cell_length_c 5.17949495
_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_Lu2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32491200
_cell_length_b 7.32491200
_cell_length_c 7.32491200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.4855742054732115,
3.1717799382055674,
7.769242425000001
],
[
1.4951914018244037,
1.0572599794018558,
2.5897474750000002
],
[
2.990382803648808,
2.114519958803711,
5.17949495
],
[
0,
0,
0
]
] | [
[
4.485574205473211,
0,
2.5897474750000002
],
[
1.4951914018244037,
4.229039917607423,
2.5897474750000002
],
[
0,
0,
5.17949495
]
] | [
71,
71,
48,
80
] | [
1,
1,
1
] | -0.37684 | 0 | 0.011218 | 225 | 225 | [
"Cd",
"Hg",
"Lu"
] |
mp-865067 | mp-865067 | Li2EuGe | # generated using pymatgen
data_Li2EuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76796304
_cell_length_b 4.76796304
_cell_length_c 4.76796304
_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_Li2EuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74291800
_cell_length_b 6.74291800
_cell_length_c 6.74291800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.129177116945279,
2.919769140112325,
7.15194456
],
[
1.3763923723150926,
0.9732563800374415,
2.38398152
],
[
2.7527847446301856,
1.946512760074884,
4.767963039999999
],
[
0,
0,
0
]
] | [
[
4.129177116945279,
0,
2.38398152
],
[
1.3763923723150921,
3.893025520149766,
2.38398152
],
[
0,
0,
4.767963039999999
]
] | [
3,
3,
63,
32
] | [
1,
1,
1
] | -0.388724 | 0 | 0.020356 | 225 | 225 | [
"Eu",
"Li",
"Ge"
] |
mp-1186619 | mp-1186619 | PmGdAl2 | # generated using pymatgen
data_PmGdAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17697906
_cell_length_b 5.17697906
_cell_length_c 5.17697906
_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_PmGdAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32135400
_cell_length_b 7.32135400
_cell_length_c 7.32135400
_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
],
[
2.988930253880055,
2.1134928510122166,
5.17697906
],
[
1.4944651269400275,
1.0567464255061085,
2.58848953
],
[
4.483395380820082,
3.1702392765183243,
7.765468589999999
]
] | [
[
4.483395380820083,
0,
2.58848953
],
[
1.4944651269400269,
4.226985702024432,
2.58848953
],
[
0,
0,
5.176979059999999
]
] | [
61,
64,
13,
13
] | [
1,
1,
1
] | -0.377224 | 0 | 0.021027 | 225 | 225 | [
"Al",
"Gd",
"Pm"
] |
mp-23504 | mp-23504 | Sr2InI5 | # generated using pymatgen
data_Sr2InI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.06203584
_cell_length_b 10.06203584
_cell_length_c 10.06203584
_cell_angle_alpha 125.54083194
_cell_angle_beta 125.54083194
_cell_angle_gamma 80.64413373
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sr2InI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.20791200
_cell_length_b 9.20791200
_cell_length_c 15.34297800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.487768716401142,
5.179472784323846,
3.7423174838194044
],
[
0.9865439020522319,
6.663382558819738,
-5.005006280739281
],
[
0.5317112355527104,
2.715764111105209,
7.955463054636289
],
[
5.032936049901619,
1.2318543366093182,
-3.4212848608050237
],
[... | [
[
8.18749338079604,
0,
-4.213145570891148
],
[
-2.168013428842188,
7.895236895429057,
-4.213145570653158
],
[
0,
0,
10.06203584
]
] | [
38,
38,
38,
38,
49,
49,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.589738 | 3.0675 | 0.045935 | 140 | 140 | [
"I",
"In",
"Sr"
] |
mp-1025219 | mp-1025219 | Ti2VTe4 | # generated using pymatgen
data_Ti2VTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45394677
_cell_length_b 7.45394677
_cell_length_c 6.94237635
_cell_angle_alpha 63.23178762
_cell_angle_beta 63.23178762
_cell_angle_gamma 29.98691146
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ti2VTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.40036000
_cell_length_b 3.85680200
_cell_length_c 6.94237635
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.79152334
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.689821318220311,
1.8138828770584077,
2.575624913546624
],
[
2.1982571377431945,
4.327690120820034,
0.7538103705886893
],
[
0,
0,
0
],
[
0.026307387280916857,
2.742157069395744,
0.0982253814159601
],
[
2.861771068682589,
3.399415928482698,
... | [
[
3.725498649531463,
0,
-0.9977882943790148
],
[
-0.8374201935679572,
6.141572997878441,
-3.1267231914856723
],
[
0,
0,
7.45394677
]
] | [
22,
22,
23,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.843755 | 0 | 0.009516 | 12 | 12 | [
"Ti",
"V",
"Te"
] |
mp-759471 | mp-759471 | Li7VO5F | # generated using pymatgen
data_Li7VO5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37788543
_cell_length_b 5.92125652
_cell_length_c 5.40291633
_cell_angle_alpha 117.24069531
_cell_angle_beta 119.26166009
_cell_angle_gamma 63.11301559
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li7VO5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37788543
_cell_length_b 5.40291633
_cell_length_c 5.92125652
_cell_angle_alpha 62.75930469
_cell_angle_beta 63.11301559
_cell_angle_gamma 60.73833991
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.010346579834327,
0.3732846360914677,
3.4976310508393085
],
[
1.9282332589968496,
0.9273705585200799,
1.3772853640135292
],
[
-0.17114479937575555,
2.6089019258000685,
-1.4475167475809738
],
[
3.046568517342526,
1.4476695313126702,
-0.8290334502292543
... | [
[
5.377781038160305,
0,
-0.03350826479772353
],
[
-2.656319697043422,
4.01032043157538,
-2.4602440066320392
],
[
0,
0,
5.913152125715241
]
] | [
3,
3,
3,
3,
3,
3,
3,
23,
8,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -2.340252 | 1.9825 | 0.066892 | 1 | 1 | [
"F",
"Li",
"O",
"V"
] |
mp-20054 | mp-20054 | TbGe2Pt | # generated using pymatgen
data_TbGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59131204
_cell_length_b 9.59131204
_cell_length_c 9.59131204
_cell_angle_alpha 153.74840879
_cell_angle_beta 125.52132110
_cell_angle_gamma 61.45385918
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TbGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35617800
_cell_length_b 8.78005000
_cell_length_c 16.48961800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9857233422792747,
2.311233554186174,
4.22727142045962
],
[
1.4291276629779353,
5.723443117950118,
6.128809441989457
],
[
2.3195553289318322,
5.438680283884065,
0.3560936159272257
],
[
1.8761510082331714,
2.026470720120121,
-1.545444405602611
],
[
... | [
[
4.242367736676537,
0,
-0.9892435308880799
],
[
-0.9370890654654301,
7.749913838070238,
-4.0187034727250746
],
[
0,
0,
9.59131204
]
] | [
65,
65,
65,
65,
32,
32,
32,
32,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.87831 | 0 | 0 | 71 | 71 | [
"Ge",
"Pt",
"Tb"
] |
mp-1281591 | mp-1281591 | SrNiO3 | # generated using pymatgen
data_SrNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87615556
_cell_length_b 8.72857672
_cell_length_c 7.75437803
_cell_angle_alpha 116.36409367
_cell_angle_beta 89.99240568
_cell_angle_gamma 90.00969472
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75437803
_cell_length_b 15.64143907
_cell_length_c 3.87615556
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9386883414441893,
6.9285388732686215,
12.162711331497663
],
[
1.9382084908168769,
1.7380525469482275,
5.226332658657451
],
[
1.9381465260234265,
3.493342702154383,
10.459981671885428
],
[
1.9383921519184708,
5.209585957558218,
6.946836173540903
],
... | [
[
3.8761555045123313,
0,
0.0006558640613791772
],
[
0.0004451515775635133,
6.947846939914643,
3.443515839008944
],
[
0,
0,
8.72857672
]
] | [
38,
38,
38,
38,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.751683 | 0 | 0.058814 | 65 | 65 | [
"Ni",
"O",
"Sr"
] |
mp-1225961 | mp-1225961 | CsScCuF6 | # generated using pymatgen
data_CsScCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63449886
_cell_length_b 7.63449886
_cell_length_c 7.63449886
_cell_angle_alpha 122.21081474
_cell_angle_beta 119.27019156
_cell_angle_gamma 88.74141562
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_CsScCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37797600
_cell_length_b 7.71856000
_cell_length_c 10.91474200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.2533992844212865,
0.8652576063964513,
7.562259224421178
],
[
4.359507656001727,
5.436737356396077,
7.370001357303687
],
[
0,
0,
0
],
[
1.0767070930316187,
3.150997481396264,
5.683612181662953
],
[
4.306453470211507,
3.1509974813962645,
... | [
[
6.459492754359777,
0,
3.5650362183989586
],
[
2.1534141860632374,
6.301994962792529,
3.73272550230264
],
[
0,
0,
7.634498861023268
]
] | [
55,
55,
21,
21,
29,
29,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.202818 | 0 | 0.013326 | 74 | 74 | [
"Cs",
"Cu",
"F",
"Sc"
] |
mp-1103846 | mp-1103846 | Na(MoSe)3 | # generated using pymatgen
data_Na(MoSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.87795786
_cell_length_b 8.87795786
_cell_length_c 4.52226100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999896
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Na(MoSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.87795786
_cell_length_b 8.87795786
_cell_length_c 4.52226100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.130565250000001,
2.562845707020506,
4.4389788834807025
],
[
3.391695750000002,
5.125691414041014,
-9.303859773116833e-8
],
[
1.13056525,
0.19624991001509456,
7.351663780125516
],
[
1.1305652500000005,
1.223676814039666,
0.9330999827481041
],
[
... | [
[
4.522261,
0,
2.7690862292794545e-16
],
[
2.9436092562234056e-15,
7.688537121061519,
-4.438979069557896
],
[
0,
0,
8.87795786
]
] | [
11,
11,
42,
42,
42,
42,
42,
42,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.824486 | 0.4155 | 0.006671 | 176 | 176 | [
"Mo",
"Na",
"Se"
] |
mp-1227084 | mp-1227084 | CaGdS2 | # generated using pymatgen
data_CaGdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97745700
_cell_length_b 3.97745700
_cell_length_c 5.64723900
_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_CaGdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97745700
_cell_length_b 3.97745700
_cell_length_c 5.64723900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.9887284999999997,
1.9887285,
2.8236195000000004
],
[
0,
0,
2.8236195
],
[
1.9887284999999997,
1.9887285,
2.435489991898117e-16
]
] | [
[
3.977457,
0,
2.435489991898117e-16
],
[
-2.435489991898117e-16,
3.977457,
2.435489991898117e-16
],
[
0,
0,
5.647239
]
] | [
20,
64,
16,
16
] | [
1,
1,
1
] | -2.331167 | 0 | 0.024961 | 123 | 123 | [
"Ca",
"Gd",
"S"
] |
mp-1210700 | mp-1210700 | Mn(SbSe2)2 | # generated using pymatgen
data_Mn(SbSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95085633
_cell_length_b 6.95085633
_cell_length_c 15.65225447
_cell_angle_alpha 66.54240361
_cell_angle_beta 66.54240361
_cell_angle_gamma 33.57553848
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Mn(SbSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.30923799
_cell_length_b 4.01519600
_cell_length_c 15.65225447
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.56912516
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0,
0,
0
],
[
0.9891804685066451,
3.3271331731520113,
7.362451927610873
],
[
2.7234108753062007,
0.5297461438292614,
9.441761795813596
],
[
3.230805241975543,
6.12452020247476,
5.843833145017992
],
[
1.7376822294255687,
2.75930466302285,
2... | [
[
3.9758551802684536,
0,
0.5606910856098399
],
[
1.9783609370132902,
6.654266346304023,
0.3481825895226112
],
[
0,
0,
14.376721265699135
]
] | [
25,
25,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.579753 | 0.3928 | 0 | 12 | 12 | [
"Mn",
"Sb",
"Se"
] |
mp-1227960 | mp-1227960 | BaLa2(CoO3)3 | # generated using pymatgen
data_BaLa2(CoO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52209204
_cell_length_b 5.52209204
_cell_length_c 6.70102000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000048
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_BaLa2(CoO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52209204
_cell_length_b 5.52209204
_cell_length_c 6.70102000
_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
],
[
6.2028330619886435e-16,
3.188181333494184,
4.45747829788
],
[
2.761045999968067,
1.5940906667470918,
2.2435417021200013
],
[
0,
0,
3.35051
],
[
6.2028330619886435e-16,
3.188181333494184,
1.103939436840001
],
[
2.76104... | [
[
5.5220919999361335,
0,
1.5642813511014445e-15
],
[
-2.761045999968067,
4.782272000241276,
3.381306170691539e-16
],
[
0,
0,
6.70102
]
] | [
56,
57,
57,
27,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.347501 | 0 | 0.073423 | 164 | 164 | [
"Ba",
"Co",
"La",
"O"
] |
mp-1229124 | mp-1229124 | Ag3AsO4 | # generated using pymatgen
data_Ag3AsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24650679
_cell_length_b 6.24650679
_cell_length_c 6.24650651
_cell_angle_alpha 90.04294004
_cell_angle_beta 90.04294004
_cell_angle_gamma 90.04293668
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ag3AsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83720403
_cell_length_b 8.83720403
_cell_length_c 10.81115569
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.00411215898942009,
4.567037175023641,
3.120661810181817
],
[
3.127105774212746,
6.2458161638198,
4.5646987228482985
],
[
1.6818094778877093,
3.1240824245263865,
6.244736733184489
],
[
6.246757015634882,
1.443785535433387,
3.1261648915205766
],
[
... | [
[
6.246505035768824,
0,
0.004681413336086995
],
[
0.004684556799339629,
6.24650327918051,
-0.004681413336087616
],
[
0,
0,
6.24650651
]
] | [
47,
47,
47,
47,
47,
47,
33,
33,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.969276 | 0 | 0 | 161 | 161 | [
"Ag",
"As",
"O"
] |
mp-1178143 | mp-1178143 | K2Zn2O3 | # generated using pymatgen
data_K2Zn2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96555705
_cell_length_b 6.34892200
_cell_length_c 6.33362122
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.54712239
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2Zn2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96555705
_cell_length_b 6.34892200
_cell_length_c 6.33362122
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.54712239
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.642719794928476,
0.396815319560693,
2.3285623773300004
],
[
3.3775689438711365,
3.299931363344934,
0.8458986226700005
],
[
0.05768640401418399,
2.5063007242235478,
5.50302337733
],
[
-1.2074644470431564,
5.409416768007789,
4.02035962267
],
[
2.... | [
[
5.96555705,
0,
3.6528501732067133e-16
],
[
-2.5303017021146808,
5.806232087568482,
3.8782244770423773e-16
],
[
0,
0,
6.348922
]
] | [
19,
19,
19,
19,
30,
30,
30,
30,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.661281 | 1.4031 | 0.006239 | 14 | 14 | [
"K",
"O",
"Zn"
] |
mp-1189708 | mp-1189708 | Na3Ag3W2(OF)6 | # generated using pymatgen
data_Na3Ag3W2(OF)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.30518353
_cell_length_b 10.30518353
_cell_length_c 10.30518355
_cell_angle_alpha 32.90846945
_cell_angle_beta 32.90846945
_cell_angle_gamma 32.90846976
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_Na3Ag3W2(OF)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83787398
_cell_length_b 5.83787398
_cell_length_c 29.21521782
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
1.0899288211728924,
0.6658944143407046,
6.614823656269819
],
[
7.064070798578224,
4.315809616098179,
6.9975084300591375
],
[
4.0769998098755575,
2.490852015219442,
6.806166043164477
],
[
0,
0,
0
],
[
3.0185046572368064,
1.8441620699160788,
... | [
[
5.59879133576531,
0,
1.6535742681644783
],
[
2.5552082839858064,
4.981704030438884,
1.6535742681644785
],
[
0,
0,
10.30518355
]
] | [
11,
11,
11,
47,
47,
47,
74,
74,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.148352 | 2.3412 | 0.001306 | 148 | 148 | [
"Ag",
"F",
"Na",
"O",
"W"
] |
mp-1112156 | mp-1112156 | Cs2YTlI6 | # generated using pymatgen
data_Cs2YTlI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.08119279
_cell_length_b 9.08119279
_cell_length_c 9.08119279
_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_Cs2YTlI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.84274601
_cell_length_b 12.84274601
_cell_length_c 12.84274601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.621514550934695,
1.853690715945132,
4.540596395000001
],
[
7.864543652804083,
5.561072147835388,
13.621789184999999
],
[
0,
0,
0
],
[
5.243029101869388,
3.70738143189026,
9.08119279
],
[
3.858418518473109,
5.6655164975346,
6.68297691086... | [
[
7.864543652804082,
0,
4.540596395000001
],
[
2.6215145509346938,
7.414762863780514,
4.540596395
],
[
0,
0,
9.081192789999998
]
] | [
55,
55,
39,
81,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.552993 | 3.2431 | 0.003939 | 225 | 225 | [
"Cs",
"I",
"Tl",
"Y"
] |
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