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-1219429 | mp-1219429 | Sc2CO | # generated using pymatgen
data_Sc2CO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62741788
_cell_length_b 5.62741788
_cell_length_c 5.62741726
_cell_angle_alpha 33.58215534
_cell_angle_beta 33.58215534
_cell_angle_gamma 33.58216047
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_Sc2CO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25132767
_cell_length_b 3.25132767
_cell_length_c 15.91530943
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1152219007384567,
0.6829927068519275,
1.9315439234777332
],
[
3.412127186820739,
2.089680970133935,
5.574376744329409
],
[
2.2636745437795978,
1.386336838492931,
3.7529603339035695
],
[
0,
0,
0
]
] | [
[
3.1127055297240616,
0,
0.93925170390357
],
[
1.4146435578351342,
2.7726736769858626,
0.93925170390357
],
[
0,
0,
5.62741726
]
] | [
21,
21,
6,
8
] | [
1,
1,
1
] | -2.069859 | 0 | 0 | 166 | 166 | [
"C",
"O",
"Sc"
] |
mp-1271679 | mp-1271679 | Co | # generated using pymatgen
data_Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48696646
_cell_length_b 8.12657901
_cell_length_c 2.48696704
_cell_angle_alpha 90.00406662
_cell_angle_beta 119.97880905
_cell_angle_gamma 89.99593412
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co
... | # generated using pymatgen
data_Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48696675
_cell_length_b 2.48696675
_cell_length_c 4.06328950
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co
... | [
[
2.4864831703557115,
1.4362401727712848,
5.120215785409732
],
[
1.2431249202656764,
0.7180787968548235,
7.071696055530128
],
[
2.4864831703557115,
1.436240172771285,
1.0553253443447634
],
[
1.243119946332769,
0.7180787968548235,
3.006626829373974
]
] | [
[
2.486966453738134,
0,
0.00017648258332166383
],
[
1.2426868473017134,
2.15423639056447,
0.00017651474474554896
],
[
0,
0,
8.126579009999999
]
] | [
27,
27,
27,
27
] | [
1,
1,
1
] | 0.010145 | 0 | 0.010145 | 164 | 164 | [
"Co"
] |
mp-1221758 | mp-1221758 | Mn3Te2Se | # generated using pymatgen
data_Mn3Te2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94374346
_cell_length_b 6.94374346
_cell_length_c 6.94374346
_cell_angle_alpha 146.59604975
_cell_angle_beta 131.68821241
_cell_angle_gamma 60.00749946
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Mn3Te2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99117400
_cell_length_b 5.68304800
_cell_length_c 12.02646201
_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
],
[
1.0941650750497005,
1.7990750883504638,
3.646585406942962
],
[
2.0308244291107087,
3.339172235104168,
-0.17550080984778602
],
[
0.6847085549927436,
4.268634931691199,
2.2819666611329343
],
[
2.4402809491676654,
0.8696123917634319... | [
[
3.8227967010300907,
0,
-1.1470376178094337
],
[
-0.697807196869682,
5.138247323454632,
-2.3256212450953897
],
[
0,
0,
6.94374346
]
] | [
25,
25,
25,
52,
52,
34
] | [
1,
1,
1
] | -0.344118 | 0 | 0.0559 | 71 | 71 | [
"Mn",
"Se",
"Te"
] |
mp-31454 | mp-31454 | TaSbRu | # generated using pymatgen
data_TaSbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37948565
_cell_length_b 4.37948565
_cell_length_c 4.37948565
_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_TaSbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19352800
_cell_length_b 6.19352800
_cell_length_c 6.19352800
_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
],
[
2.5284972189396027,
1.7879175297235195,
4.3794856499999995
],
[
3.7927458284094047,
2.68187629458528,
6.569228474999999
]
] | [
[
3.792745828409405,
0,
2.1897428249999997
],
[
1.264248609469801,
3.5758350594470407,
2.1897428249999997
],
[
0,
0,
4.37948565
]
] | [
73,
51,
44
] | [
1,
1,
1
] | -0.442976 | 0.8956 | 0 | 216 | 216 | [
"Ta",
"Sb",
"Ru"
] |
mp-755874 | mp-755874 | Na2MnO3 | # generated using pymatgen
data_Na2MnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29070399
_cell_length_b 5.29070399
_cell_length_c 5.69912674
_cell_angle_alpha 80.80972355
_cell_angle_beta 80.80972355
_cell_angle_gamma 120.02703350
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2MnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28854200
_cell_length_b 9.16501600
_cell_length_c 5.69912674
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.63619096
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.5056232781054355,
1.4798293089133165,
6.544124440896857
],
[
5.011246556210872,
3.1026786925523777,
1.6899954017937153
],
[
2.5056232781054355,
3.8237546975176963e-17,
3.6945610708968575
],
[
2.5056232781054355,
3.0788496509447... | [
[
5.011246556210871,
0,
1.6899954017937153
],
[
2.5056232781054355,
4.582508001465694,
0.8449977008968573
],
[
0,
0,
5.69912674
]
] | [
11,
11,
11,
11,
25,
25,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.909196 | 1.9374 | 0 | 12 | 12 | [
"Mn",
"Na",
"O"
] |
mp-1019362 | mp-1019362 | ThBiTe | # generated using pymatgen
data_ThBiTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52605800
_cell_length_b 4.52605800
_cell_length_c 9.26231800
_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_ThBiTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52605800
_cell_length_b 4.52605800
_cell_length_c 9.26231800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.3857056106138178e-16,
2.263029,
6.6766307824840005
],
[
2.263029,
0,
2.5856872175160004
],
[
0,
0,
0
],
[
2.263029,
2.263029,
2.7714112212276356e-16
],
[
-1.3857056106138178e-16,
2.263029,
3.3857662463560003
],
[
2.263029,
... | [
[
4.526058,
0,
2.7714112212276356e-16
],
[
-2.7714112212276356e-16,
4.526058,
2.7714112212276356e-16
],
[
0,
0,
9.262318
]
] | [
90,
90,
83,
83,
52,
52
] | [
1,
1,
1
] | -1.043688 | 0 | 0 | 129 | 129 | [
"Th",
"Bi",
"Te"
] |
mp-19360 | mp-19360 | LuCrO4 | # generated using pymatgen
data_LuCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88612976
_cell_length_b 5.88612976
_cell_length_c 5.88612976
_cell_angle_alpha 106.15859279
_cell_angle_beta 106.15859279
_cell_angle_gamma 116.32139545
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LuCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07170400
_cell_length_b 7.07170400
_cell_length_c 6.21032200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.442219511887016,
1.1665879344329046,
1.3049724106792024
],
[
0,
0,
0
],
[
-0.9805385741443045,
3.499763803298714,
1.3049724109752563
],
[
1.2308404688713561,
2.3331758688658093,
4.248037290827229
],
[
1.073232540986623,
4.0351063400582365,
... | [
[
5.653598554902677,
0,
-1.6380924694688244
],
[
-3.191917617159965,
4.666351737731619,
-1.638092468876717
],
[
0,
0,
5.88612976
]
] | [
71,
71,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.786179 | 0.2898 | 0 | 141 | 141 | [
"Cr",
"Lu",
"O"
] |
mp-1102846 | mp-1102846 | H2SeO3 | # generated using pymatgen
data_H2SeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02270653
_cell_length_b 5.20389206
_cell_length_c 5.98397647
_cell_angle_alpha 102.64615023
_cell_angle_beta 90.57235929
_cell_angle_gamma 99.50658491
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_H2SeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02270653
_cell_length_b 5.20389206
_cell_length_c 5.98397647
_cell_angle_alpha 102.64615023
_cell_angle_beta 90.57235929
_cell_angle_gamma 99.50658491
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1951825110751484,
2.6881320805719273,
0.433428459763352
],
[
0.657837877931175,
1.11357525232607,
5.064358835517921
],
[
3.752349256030816,
1.9832132535002118,
3.7341994632907327
],
[
0.9750810746720141,
3.975760993725251,
1.4399604451576136
],
[
... | [
[
5.022455921149679,
0,
-0.050173764191580435
],
[
-0.8709039979577894,
5.00240446132246,
-1.1392841628906019
],
[
0,
0,
5.98397647
]
] | [
1,
1,
1,
1,
34,
34,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.206628 | 4.436 | 0.011259 | 1 | 1 | [
"H",
"O",
"Se"
] |
mp-1215241 | mp-1215241 | ZrVFe | # generated using pymatgen
data_ZrVFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06440925
_cell_length_b 5.06409628
_cell_length_c 8.31940800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 60.85487692
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_ZrVFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12954878
_cell_length_b 8.73351897
_cell_length_c 8.31940800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
0.028245277647849634,
2.9578639618493394,
4.705715066448
],
[
2.539493356898424,
1.4828332424682118,
3.715564084512
],
[
2.539493356898424,
1.4828332424682118,
0.4441399154880003
],
[
0.028245277647849634,
2.9578639618493394,
7.773396933551999
],
[
... | [
[
5.06409628,
0,
3.1008646499380095e-16
],
[
-2.4664856378462465,
4.42319902895899,
3.101056288792374e-16
],
[
0,
0,
8.319408
]
] | [
40,
40,
40,
40,
23,
23,
23,
23,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.169413 | 0 | 0.017708 | 38 | 38 | [
"Fe",
"V",
"Zr"
] |
mp-1221998 | mp-1221998 | MgFe2O3 | # generated using pymatgen
data_MgFe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02742416
_cell_length_b 6.96342680
_cell_length_c 6.16601551
_cell_angle_alpha 102.85989881
_cell_angle_beta 90.07129688
_cell_angle_gamma 77.47874737
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgFe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05521596
_cell_length_b 3.05521596
_cell_length_c 13.23844024
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.000005613919178487949,
0.000006004017304165258,
6.963422521631499
],
[
-0.14845661564191087,
3.0020146560136087,
0.6861873324006067
],
[
0.9366864263265637,
1.0010317930427755,
2.765017640322636
],
[
1.7217917300826717,
5.002955490863314,
6.22710453786... | [
[
2.9554188634518535,
0,
0.6563508102414886
],
[
-0.2969185482844521,
6.004017303992609,
1.372356680532632
],
[
0,
0,
6.9634268
]
] | [
12,
12,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.989957 | 2.3101 | 0.015516 | 139 | 139 | [
"Fe",
"Mg",
"O"
] |
mp-8354 | mp-8354 | LaF3 | # generated using pymatgen
data_LaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19275495
_cell_length_b 4.19275495
_cell_length_c 7.37797700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998349
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19275495
_cell_length_b 4.19275495
_cell_length_c 7.37797700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
1.124489834306643e-15,
2.4206879976688573,
1.8444942500000006
],
[
2.096377998147964,
1.210343998834429,
5.53348275
],
[
2.096377998147964,
1.210343998834429,
0.5799458820850011
],
[
1.124489834306643e-15,
2.4206879976688573,
4.268934382085001
],
[
... | [
[
4.192755996295927,
0,
1.1877111092680691e-15
],
[
-2.0963779981479624,
3.631031996503287,
2.5673219645633607e-16
],
[
0,
0,
7.377977
]
] | [
57,
57,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -4.472611 | 5.7447 | 0.01958 | 194 | 194 | [
"La",
"F"
] |
mp-866216 | mp-866216 | CaDyRh2 | # generated using pymatgen
data_CaDyRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83844462
_cell_length_b 4.83844462
_cell_length_c 4.83844462
_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_CaDyRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84259400
_cell_length_b 6.84259400
_cell_length_c 6.84259400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7934773038160965,
1.9752867446190745,
4.83844462
],
[
0,
0,
0
],
[
4.1902159557241445,
2.9629301169286126,
7.25766693
],
[
1.396738651908048,
0.9876433723095377,
2.419222309999999
]
] | [
[
4.1902159557241445,
0,
2.4192223100000003
],
[
1.3967386519080474,
3.9505734892381508,
2.4192223100000003
],
[
0,
0,
4.83844462
]
] | [
20,
66,
45,
45
] | [
1,
1,
1
] | -0.619423 | 0 | 0 | 225 | 225 | [
"Ca",
"Dy",
"Rh"
] |
mp-1087509 | mp-1087509 | P4Os | # generated using pymatgen
data_P4Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71051500
_cell_length_b 4.72411200
_cell_length_c 7.15368207
_cell_angle_alpha 80.36384730
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P4... | # generated using pymatgen
data_P4Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72411200
_cell_length_b 4.71051500
_cell_length_c 7.15368207
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.63615270
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P4... | [
[
3.8139014433549994,
3.6525273457560696,
1.1782645832096719
],
[
1.4586439433550002,
1.0049303271724375,
1.6078032773443505
],
[
0.8966135566450006,
1.0049303271724375,
5.184644312344351
],
[
3.2518710566449993,
3.6525273457560696,
4.755105618209673
],
... | [
[
4.710515,
0,
2.8843585585427973e-16
],
[
-2.8518703156580887e-16,
4.6574576729285075,
-0.790773174445978
],
[
0,
0,
7.15368207
]
] | [
15,
15,
15,
15,
15,
15,
15,
15,
76,
76
] | [
1,
1,
1
] | -0.363893 | 0.8439 | 0.016144 | 14 | 14 | [
"Os",
"P"
] |
mp-756567 | mp-756567 | Li2TiFe2O5 | # generated using pymatgen
data_Li2TiFe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12821101
_cell_length_b 7.98030447
_cell_length_c 5.13756558
_cell_angle_alpha 108.76944138
_cell_angle_beta 71.93561894
_cell_angle_gamma 95.71991401
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Li2TiFe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13756558
_cell_length_b 15.11183994
_cell_length_c 5.12821101
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.06438106
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.1504914956257788,
3.721870770255835,
4.50507594279392
],
[
2.982225577708844,
1.3916034068024,
3.9540939079368567
],
[
5.096885931804172,
0.004708146027903372,
0.5542308725376894
],
[
2.6968212585234843,
0.49406717394299404,
6.7721075528299775
],
[... | [
[
5.102677595006131,
0,
0.5111061773327258
],
[
1.435477771914784,
4.647725595166591,
1.6530669820587027
],
[
0,
0,
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3,
3,
3,
22,
22,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.331046 | 1.6386 | 0.050737 | 15 | 15 | [
"Fe",
"Li",
"O",
"Ti"
] |
mp-1215634 | mp-1215634 | Zr2Te3 | # generated using pymatgen
data_Zr2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89891633
_cell_length_b 7.89891633
_cell_length_c 7.89891615
_cell_angle_alpha 52.54167002
_cell_angle_beta 52.54167002
_cell_angle_gamma 52.54166568
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zr2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99235422
_cell_length_b 6.99235422
_cell_length_c 20.36803496
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.320684461724383,
2.902227898008474,
7.0443774935398835
],
[
1.3861360649036463,
0.9310753408716906,
5.090685299720304
],
[
7.25523285854512,
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8.998069687359461
],
[
0,
0,
0
],
[
3.0420625269906405,
3.3229754852943545,
... | [
[
6.270127159193918,
0,
3.0949194185398836
],
[
2.3712417642548487,
5.804455796016948,
3.0949194185398836
],
[
0,
0,
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]
] | [
40,
40,
40,
40,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.154343 | 0 | 0 | 148 | 148 | [
"Te",
"Zr"
] |
mp-12815 | mp-12815 | Na2LiAu3 | # generated using pymatgen
data_Na2LiAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61838513
_cell_length_b 5.61838513
_cell_length_c 8.83478800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998976
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na2LiAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61838513
_cell_length_b 5.61838513
_cell_length_c 8.83478800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.5821176484218185e-16,
3.2437759998619073,
8.230170448432
],
[
2.80919299979992,
1.6218879999309532,
0.6046175515680007
],
[
2.80919299979992,
1.6218879999309532,
3.8127764484320004
],
[
4.5821176484218185e-16,
3.2437759998619073,
5.022011551568
],
... | [
[
5.618385999599838,
0,
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],
[
-2.8091929997999174,
4.865663999792861,
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],
[
0,
0,
8.834788
]
] | [
11,
11,
11,
11,
3,
3,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.434899 | 0 | 0 | 194 | 194 | [
"Au",
"Li",
"Na"
] |
mp-15649 | mp-15649 | As2Ir | # generated using pymatgen
data_As2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15188200
_cell_length_b 6.14348200
_cell_length_c 6.24867269
_cell_angle_alpha 66.97179641
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_As2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14348200
_cell_length_b 6.15188200
_cell_length_c 6.24867269
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.02820359
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.783190336665696,
0.7806676739180001,
-1.2512329907852804
],
[
0.8707323657919968,
3.8566086739179997,
1.9723362719819597
],
[
0.8707323657919966,
5.371214326082,
5.09667261698196
],
[
4.783190336665696,
2.2952733260819995,
1.8731033542147197
],
[
... | [
[
5.653922702457693,
0,
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],
[
-3.7669413000161086e-16,
6.151882,
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],
[
0,
0,
6.24867269
]
] | [
33,
33,
33,
33,
33,
33,
33,
33,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.482704 | 1.1531 | 0 | 14 | 14 | [
"As",
"Ir"
] |
mp-547244 | mp-547244 | SrBiClO2 | # generated using pymatgen
data_SrBiClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98754986
_cell_length_b 6.98754986
_cell_length_c 5.68054400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.02014263
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrBiClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79314400
_cell_length_b 12.71781800
_cell_length_c 5.68054400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.4201359999999996,
0.5692555759969734,
1.2496994397784855
],
[
4.260408000000002,
4.702703304487693,
3.3363994043879677
],
[
4.260408000000001,
3.0614897854040115,
-0.26659317370609004
],
[
1.4201360000000003,
2.2104690950806547,
4.852692017872543
],
... | [
[
5.680544,
0,
3.4783300135078514e-16
],
[
2.0184056751853555e-15,
5.271958880484666,
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],
[
0,
0,
6.987549859999999
]
] | [
38,
38,
83,
83,
17,
17,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.417174 | 3.3085 | 0 | 63 | 63 | [
"Sr",
"Bi",
"Cl",
"O"
] |
mp-7116 | mp-7116 | Nb3CoS6 | # generated using pymatgen
data_Nb3CoS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81605579
_cell_length_b 5.81605579
_cell_length_c 11.81201500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999758
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nb3CoS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81605579
_cell_length_b 5.81605579
_cell_length_c 11.81201500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.9080280013706776,
1.6789506675181434,
0.032754717595000205
],
[
-8.073562560251772e-16,
3.357901335036287,
5.938762217595001
],
[
2.9080280013706776,
1.6789506675181434,
5.873252782405001
],
[
0,
0,
0
],
[
-8.073562560251772e-16,
3.35790133... | [
[
5.816056002741357,
0,
1.6475545757215092e-15
],
[
-2.90802800137068,
5.03685200255443,
3.561307053442965e-16
],
[
0,
0,
11.812015
]
] | [
41,
41,
41,
41,
41,
41,
27,
27,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.292863 | 0 | 0 | 182 | 182 | [
"Co",
"Nb",
"S"
] |
mp-1209350 | mp-1209350 | Rb3YV2O8 | # generated using pymatgen
data_Rb3YV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08180557
_cell_length_b 6.08180557
_cell_length_c 7.99080900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999532
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb3YV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08180557
_cell_length_b 6.08180557
_cell_length_c 7.99080900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.0409030001079107,
1.7556660001016935,
2.385616072905001
],
[
4.0859549077909234e-16,
3.511332000203387,
5.6051929270950005
],
[
0,
0,
0
],
[
0,
0,
3.9954045
],
[
3.0409030001079107,
1.7556660001016935,
5.950635600165001
],
[
4.0... | [
[
6.081806000215822,
0,
1.722835423108581e-15
],
[
-3.040903000107911,
5.2669980003050805,
3.724031862168522e-16
],
[
0,
0,
7.990809
]
] | [
37,
37,
37,
39,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.712661 | 3.3838 | 0 | 164 | 164 | [
"O",
"Rb",
"V",
"Y"
] |
mp-1025433 | mp-1025433 | HoGa2Ni | # generated using pymatgen
data_HoGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45900640
_cell_length_b 5.45900640
_cell_length_c 6.64266300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.71094078
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11548200
_cell_length_b 10.11265600
_cell_length_c 6.64266300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.832719380039075e-16,
4.328550486239232,
4.981997250000001
],
[
2.0577410003867778,
0.7277775144514061,
1.6606657500000006
],
[
2.2030767525272692e-16,
1.4584472485192068,
3.681862034325
],
[
2.0577410003867778,
3.5978807521714304,
2.960800965675001
]... | [
[
4.115482000773555,
0,
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],
[
-2.0577410003867764,
5.056328000690638,
3.342677357142458e-16
],
[
0,
0,
6.642663
]
] | [
67,
67,
31,
31,
31,
31,
28,
28
] | [
1,
1,
1
] | -0.654052 | 0 | 0 | 63 | 63 | [
"Ga",
"Ho",
"Ni"
] |
mp-8320 | mp-8320 | SmScSi | # generated using pymatgen
data_SmScSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42317297
_cell_length_b 8.42317297
_cell_length_c 8.42317297
_cell_angle_alpha 150.69219922
_cell_angle_beta 150.69219922
_cell_angle_gamma 41.92626979
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmScSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26178200
_cell_length_b 4.26178200
_cell_length_c 15.73130001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.24046899899915,
1.3283943398837466,
4.743933897859836
],
[
2.600765302018547,
2.7851094298647987,
1.522951186732687
],
[
2.06157654917343,
1.6862891506822914e-17,
-0.5390719713073143
],
[
3.9821936996822784,
2.0567518848742723,
-1.617215914011054
],
... | [
[
4.12315309834686,
0,
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],
[
-0.2819187973291628,
4.113503769748545,
-1.0781439427928508
],
[
0,
0,
8.42317297
]
] | [
62,
62,
21,
21,
14,
14
] | [
1,
1,
1
] | -0.604898 | 0 | 0.013837 | 139 | 139 | [
"Sm",
"Sc",
"Si"
] |
mp-756626 | mp-756626 | Li4Mn(TeO4)3 | # generated using pymatgen
data_Li4Mn(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20019000
_cell_length_b 5.48608030
_cell_length_c 7.64033171
_cell_angle_alpha 85.86238975
_cell_angle_beta 89.73653992
_cell_angle_gamma 89.84414629
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li4Mn(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20019000
_cell_length_b 5.48608030
_cell_length_c 7.64033171
_cell_angle_alpha 85.86238975
_cell_angle_beta 89.73653992
_cell_angle_gamma 89.84414629
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
5.17005123965246,
2.787859247377206,
1.9332775816895773
],
[
2.6357673149184047,
5.398854606006889,
6.292282984706286
],
[
0.040407629426792484,
2.8458161916464175,
6.106819712963589
],
[
2.6006827558730876,
5.373109947511172,
2.1199296496045053
],
[... | [
[
5.200135024039623,
0,
0.023911667788875657
],
[
0.013103009226263337,
5.471765886443753,
0.3958326074841778
],
[
0,
0,
7.64033171
]
] | [
3,
3,
3,
3,
25,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.814009 | 0 | 0.064725 | 1 | 1 | [
"Li",
"Mn",
"O",
"Te"
] |
mp-1225658 | mp-1225658 | Er2MnGa3 | # generated using pymatgen
data_Er2MnGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65964590
_cell_length_b 5.65964590
_cell_length_c 7.06865653
_cell_angle_alpha 51.86495882
_cell_angle_beta 51.86495882
_cell_angle_gamma 45.37821715
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Er2MnGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.44330800
_cell_length_b 4.36619800
_cell_length_c 7.06865653
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.01416527
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.3836880813895633,
1.5224678692891582,
5.657909345464348
],
[
3.4943072513929243,
3.6776990828122926,
2.9744731386419296
],
[
4.675022674360645,
3.724240784734783,
5.830316358364149
],
[
1.1758122898484185,
1.5366768138104014,
2.8676899852873827
],
... | [
[
4.034317324876816,
0,
1.6697211387001998
],
[
1.831468469500937,
5.19902836488954,
1.2835182194595813
],
[
0,
0,
5.708643352764799
]
] | [
68,
68,
25,
31,
31,
31
] | [
1,
1,
1
] | -0.473107 | 0 | 0.057926 | 8 | 8 | [
"Er",
"Ga",
"Mn"
] |
mp-1211828 | mp-1211828 | K2RbEuV2O8 | # generated using pymatgen
data_K2RbEuV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11857305
_cell_length_b 6.11857305
_cell_length_c 7.91232700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001136
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_K2RbEuV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11857305
_cell_length_b 6.11857305
_cell_length_c 7.91232700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.059285999701094,
1.7662799998307543,
2.352350641754001
],
[
-4.789026212740319e-16,
3.5325599996615087,
5.559976358246002
],
[
0,
0,
0
],
[
0,
0,
3.9561635
],
[
3.059285999701094,
1.7662799998307543,
5.9367297206780005
],
[
-4.7... | [
[
6.118571999402188,
0,
1.7332503830336433e-15
],
[
-3.059285999701096,
5.298839999492263,
3.746545450515879e-16
],
[
0,
0,
7.912327
]
] | [
19,
19,
37,
63,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.565201 | 0 | 0 | 164 | 164 | [
"Eu",
"K",
"O",
"Rb",
"V"
] |
mp-1094241 | mp-1094241 | MgSn2 | # generated using pymatgen
data_MgSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40067394
_cell_length_b 3.40067394
_cell_length_c 15.38905600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999875
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40067394
_cell_length_b 3.40067394
_cell_length_c 15.38905600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7003370021257298,
0.9816900011599728,
3.847264000000001
],
[
1.1324025419497042e-15,
1.9633800023199464,
11.541792000000001
],
[
1.1324025419497042e-15,
1.9633800023199464,
1.4000039805440005
],
[
1.1324025419497042e-15,
1.9633800023199464,
6.294524019... | [
[
3.400674004251459,
0,
9.633325424653477e-16
],
[
-1.7003370021257285,
2.9450700034799193,
2.0823122277824091e-16
],
[
0,
0,
15.389056
]
] | [
12,
12,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.027255 | 0 | 0.066313 | 194 | 194 | [
"Mg",
"Sn"
] |
mp-1232057 | mp-1232057 | Sm2MgSe4 | # generated using pymatgen
data_Sm2MgSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64662131
_cell_length_b 7.64662131
_cell_length_c 7.64662131
_cell_angle_alpha 110.75438954
_cell_angle_beta 110.75438954
_cell_angle_gamma 106.93428234
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm2MgSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.68918200
_cell_length_b 8.68918200
_cell_length_c 9.10381800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.021215728700821,
2.357119815780553,
1.2637159738487271
],
[
-0.06291483917461159,
1.5321718798272543,
3.914433289311842
],
[
-0.5479818035842384,
5.499946236821292,
2.8007998505319596
],
[
4.4070220940031195,
3.182067751733852,
-2.559594681129404
],
... | [
[
7.150417249396394,
0,
-2.7096772161149376
],
[
-3.741746659423849,
6.285652842081476,
-2.2272668776035003
],
[
0,
0,
7.64662131
]
] | [
62,
62,
62,
62,
12,
12,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.897881 | 1.7634 | 0.078869 | 122 | 122 | [
"Mg",
"Se",
"Sm"
] |
mp-1229051 | mp-1229051 | Al3NiMo12 | # generated using pymatgen
data_Al3NiMo12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96658600
_cell_length_b 4.96627300
_cell_length_c 9.95159400
_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_Al3NiMo12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96627300
_cell_length_b 4.96658600
_cell_length_c 9.95159400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.4831365,
2.483293,
7.458331590834
],
[
2.4831365,
2.483293,
2.493262409166
],
[
0,
0,
0
],
[
0,
0,
4.975797
],
[
2.4831364999999996,
4.966586,
6.204281472924
],
[
2.4831364999999996,
4.966586,
1.2388042759020006
],
[... | [
[
4.966273,
0,
3.040965166570962e-16
],
[
-3.0411568237950287e-16,
4.966586,
3.0411568237950287e-16
],
[
0,
0,
9.951594
]
] | [
13,
13,
13,
28,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42
] | [
1,
1,
1
] | -0.15657 | 0 | 0.047833 | 47 | 47 | [
"Al",
"Mo",
"Ni"
] |
mp-1225853 | mp-1225853 | Cu2NiSn3S8 | # generated using pymatgen
data_Cu2NiSn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31010844
_cell_length_b 7.31010844
_cell_length_c 7.31010790
_cell_angle_alpha 60.60525327
_cell_angle_beta 60.60525327
_cell_angle_gamma 60.60525370
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cu2NiSn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37688184
_cell_length_b 7.37688184
_cell_length_c 17.82369182
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
5.229472252446482,
3.7148787075634773,
8.948227190805852
],
[
3.2363885153315666,
2.299044761043265,
5.537832177874833
],
[
0,
0,
0
],
[
3.184498215352935,
3.290776674002618e-17,
1.7939878671701708
],
[
0,
0,
3.65505395
],
[
1.048... | [
[
6.36899643070587,
0,
3.5879757343403416
],
[
2.0968643370721782,
6.013923468606744,
3.5879757343403416
],
[
0,
0,
7.3101079
]
] | [
29,
29,
28,
50,
50,
50,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.620418 | 0 | 0.023754 | 166 | 166 | [
"Cu",
"Ni",
"S",
"Sn"
] |
mp-1218247 | mp-1218247 | SrMn2BiO6 | # generated using pymatgen
data_SrMn2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58766466
_cell_length_b 5.58526602
_cell_length_c 5.58766466
_cell_angle_alpha 59.57443013
_cell_angle_beta 90.71341117
_cell_angle_gamma 120.42561165
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrMn2BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55049066
_cell_length_b 5.55049066
_cell_length_c 7.95119401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.1507259047126066,
4.430054846715686,
-0.07667347989536619
],
[
-0.09346291081611892,
3.255865226100671,
-0.1589255490668933
],
[
3.10621570509246,
0.9801935495221951,
-0.15892945176273732
],
[
1.6759732008553823,
2.3564897188644003,
-2.65505598391816
... | [
[
4.8181727316941245,
0,
-2.755564996893122
],
[
-1.5811909740865486,
4.551334250488452,
-2.7555685102985
],
[
0,
0,
5.58526602
]
] | [
38,
25,
25,
83,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.140167 | 0 | 0.026833 | 107 | 107 | [
"Bi",
"Mn",
"O",
"Sr"
] |
mp-1187327 | mp-1187327 | TbDyHg2 | # generated using pymatgen
data_TbDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28495002
_cell_length_b 5.28495002
_cell_length_c 5.28495002
_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_TbDyHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47404799
_cell_length_b 7.47404799
_cell_length_c 7.47404799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.0512673167007183,
2.1575718108519597,
5.28495002
],
[
4.5769009750510765,
3.2363577162779387,
7.927425029999999
],
[
1.525633658350359,
1.0787859054259794,
2.64247501
]
] | [
[
4.576900975051077,
0,
2.6424750099999996
],
[
1.525633658350358,
4.315143621703918,
2.64247501
],
[
0,
0,
5.284950019999999
]
] | [
65,
66,
80,
80
] | [
1,
1,
1
] | -0.478313 | 0 | 0.007724 | 225 | 225 | [
"Dy",
"Hg",
"Tb"
] |
mp-1221224 | mp-1221224 | Na3BrCl2 | # generated using pymatgen
data_Na3BrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11369802
_cell_length_b 4.11369802
_cell_length_c 10.08449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000040
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Na3BrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11369802
_cell_length_b 4.11369802
_cell_length_c 10.08449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
5.042245
],
[
2.0568489975642947,
1.1875223319991677,
8.31598307319
],
[
-6.703414858432767e-16,
2.3750446639983354,
1.7685069268100007
],
[
0,
0,
0
],
[
2.0568489975642947,
1.1875223319991677,
3.394086376850001
],
[
-6.7034... | [
[
4.11369799512859,
0,
1.1653158002288769e-15
],
[
-2.056848997564297,
3.5625669959975026,
2.5189135564259026e-16
],
[
0,
0,
10.08449
]
] | [
11,
11,
11,
35,
17,
17
] | [
1,
1,
1
] | -2.017094 | 4.1498 | 0.0042 | 164 | 164 | [
"Br",
"Cl",
"Na"
] |
mp-753092 | mp-753092 | Li4Ni3O3F4 | # generated using pymatgen
data_Li4Ni3O3F4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.67827860
_cell_length_b 14.67827860
_cell_length_c 14.67827860
_cell_angle_alpha 168.49522376
_cell_angle_beta 168.49522376
_cell_angle_gamma 16.29778055
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Li4Ni3O3F4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94239400
_cell_length_b 2.94239400
_cell_length_c 29.06014600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.0289287228228197,
1.0394237144745326,
10.214029386526002
],
[
1.868939613090761,
1.8880026494331923,
3.874419664055307
],
[
0.6254469229402282,
0.6318264321222042,
6.208722828824964
],
[
2.2724214129733524,
2.295599931785521,
7.879726221756347
],
[... | [
[
2.927577108673546,
0,
-0.29491477475304867
],
[
-0.029708772759965283,
2.9274263639077263,
-0.2949147746656413
],
[
0,
0,
14.6782786
]
] | [
3,
3,
3,
3,
28,
28,
28,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.290787 | 2.1958 | 0.040361 | 139 | 139 | [
"F",
"Li",
"Ni",
"O"
] |
mp-1185130 | mp-1185130 | LaTmMg2 | # generated using pymatgen
data_LaTmMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45150195
_cell_length_b 5.45150195
_cell_length_c 5.45150195
_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_LaTmMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70958799
_cell_length_b 7.70958799
_cell_length_c 7.70958799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1474261183202694,
2.225566351547916,
5.451501949999999
],
[
0,
0,
0
],
[
4.721139177480404,
3.3383495273218737,
8.177252925
],
[
1.5737130591601347,
1.112783175773958,
2.7257509749999995
]
] | [
[
4.721139177480405,
0,
2.7257509749999995
],
[
1.573713059160134,
4.451132703095832,
2.7257509749999995
],
[
0,
0,
5.45150195
]
] | [
57,
69,
12,
12
] | [
1,
1,
1
] | -0.084331 | 0 | 0.009432 | 225 | 225 | [
"La",
"Mg",
"Tm"
] |
mp-30850 | mp-30850 | TaPt3 | # generated using pymatgen
data_TaPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61417200
_cell_length_b 4.93414900
_cell_length_c 5.61376900
_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_TaPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61417200
_cell_length_b 4.93414900
_cell_length_c 5.61376900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
2.307086,
3.2583738434279996,
2.8068845000000002
],
[
-1.026116340793277e-16,
1.6757751565719998,
1.026116340793277e-16
],
[
-2.5191194234790563e-16,
4.114034226412,
1.404155198663
],
[
2.307086,
0.8201147735879999,
1.4027293013370001
],
[
-2.519... | [
[
4.614172,
0,
2.8253654852576706e-16
],
[
-3.0212948896830565e-16,
4.934149,
3.0212948896830565e-16
],
[
0,
0,
5.613769
]
] | [
73,
73,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.709282 | 0 | 0.0003 | 59 | 59 | [
"Ta",
"Pt"
] |
mp-569698 | mp-569698 | UAl2Pd5 | # generated using pymatgen
data_UAl2Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01108535
_cell_length_b 8.01108535
_cell_length_c 8.01108535
_cell_angle_alpha 149.65678017
_cell_angle_beta 149.65678017
_cell_angle_gamma 43.44544648
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_UAl2Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19317800
_cell_length_b 4.19317800
_cell_length_c 14.88437000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0.9539255608836147,
1.026846159198012,
3.517917802186396
],
[
2.7955312792002434,
3.0092290999160087,
2.298366096670386
],
[
1.186859835977984,
3.455784502659644,
4.376940420525434
],
[
0.39029522921584886,
2.5983283860113877,
... | [
[
4.0470301949319545,
0,
-1.0974007255845686
],
[
-0.29757335484809594,
4.036075259114021,
-1.0974007255586498
],
[
0,
0,
8.01108535
]
] | [
92,
13,
13,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.712083 | 0 | 0.015562 | 139 | 139 | [
"Al",
"Pd",
"U"
] |
mp-1221410 | mp-1221410 | Na(VSe2)2 | # generated using pymatgen
data_Na(VSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.57963300
_cell_length_b 14.57963300
_cell_length_c 14.57963264
_cell_angle_alpha 14.28024438
_cell_angle_beta 14.28024438
_cell_angle_gamma 14.28024410
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Na(VSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62439001
_cell_length_b 3.62439001
_cell_length_c 43.28605601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.92014265526555,
2.870363390952416,
4.461896714932336
],
[
0.007716608194434204,
0.004501794198979767,
14.518031737223843
],
[
2.676638097595833,
1.5615246435883952,
7.791934055916316
],
[
1.0767244211439695,
0.6281505592705781,
5.984250483440357
],
... | [
[
3.596283436445035,
0,
0.45049806425757477
],
[
1.7699253218541326,
3.1305940187620074,
0.4504980642575748
],
[
0,
0,
14.57963264
]
] | [
11,
23,
23,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.004545 | 0 | 0.074264 | 160 | 160 | [
"Na",
"Se",
"V"
] |
mp-1105775 | mp-1105775 | Sc4OsCl4 | # generated using pymatgen
data_Sc4OsCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07649135
_cell_length_b 8.07649135
_cell_length_c 6.15920931
_cell_angle_alpha 89.48572423
_cell_angle_beta 89.48572423
_cell_angle_gamma 89.30910862
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sc4OsCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.49054001
_cell_length_b 11.35281201
_cell_length_c 6.15920931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.72295963
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.11948836251119688,
2.092893248333678,
7.262471197220641
],
[
2.986004131195999,
0.8400709709764089,
6.020230000667552
],
[
6.111093655543873,
5.9826933451757265,
0.9666899075800297
],
[
3.244577886859071,
7.235515622532995,
2.2089311041331197
],
[
... | [
[
6.158961203059647,
0,
0.05528312216885124
],
[
0.07162081499542322,
8.075586593509405,
0.09738663263182158
],
[
0,
0,
8.07649135
]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
76,
76,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.734761 | 0.655 | 0 | 15 | 15 | [
"Cl",
"Os",
"Sc"
] |
mp-1220182 | mp-1220182 | NdCu3Pd2 | # generated using pymatgen
data_NdCu3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18932835
_cell_length_b 5.18932835
_cell_length_c 5.18932835
_cell_angle_alpha 122.03214564
_cell_angle_beta 116.65407914
_cell_angle_gamma 91.20342477
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_NdCu3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02912600
_cell_length_b 5.44952200
_cell_length_c 7.26134400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5885354324390109,
4.3531915511217685,
7.510966022118455
],
[
4.435881618402066,
1.6440919344149818,
4.961589641277413
],
[
2.2395528122719166,
1.6440919344149818,
3.7449500096820367
],
[
4.492967273297988,
3.2616050959152623,
7.457092398089641
],
[... | [
[
4.3992564970058075,
0,
2.436934665188536
],
[
1.5850401757680335,
4.35860493845533,
2.3279474555470023
],
[
0,
0,
5.189328350268111
]
] | [
60,
29,
29,
29,
46,
46
] | [
1,
1,
1
] | -0.390745 | 0 | 0.012365 | 44 | 44 | [
"Cu",
"Nd",
"Pd"
] |
mp-1183648 | mp-1183648 | Cd3Pd | # generated using pymatgen
data_Cd3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00986632
_cell_length_b 6.00986632
_cell_length_c 4.94933400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000353
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cd3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00986632
_cell_length_b 6.00986632
_cell_length_c 4.94933400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.712000500000002,
4.3156928837565385,
-1.465133024529787
],
[
3.712000500000001,
1.7780076751553002,
1.0954327399077007e-7
],
[
3.712000500000002,
4.315692883756538,
1.465133556310534
],
[
1.2373335000000005,
0.8890038375776498,
4.470066505191797
],
... | [
[
4.949334,
0,
3.0305930205055835e-16
],
[
1.9926538954707794e-15,
5.204696721334188,
-3.004932839337991
],
[
0,
0,
6.00986632
]
] | [
48,
48,
48,
48,
48,
48,
46,
46
] | [
1,
1,
1
] | -0.218281 | 0 | 0.020902 | 194 | 194 | [
"Cd",
"Pd"
] |
mp-504506 | mp-504506 | RbIn(MoO4)2 | # generated using pymatgen
data_RbIn(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94709222
_cell_length_b 5.94709222
_cell_length_c 7.88645300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000240
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_RbIn(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94709222
_cell_length_b 5.94709222
_cell_length_c 7.88645300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
3.9432265
],
[
0,
0,
0
],
[
1.2202663325034456e-15,
3.4335553356310644,
1.8672597039040015
],
[
2.973546002131679,
1.7167776678155322,
6.0191932960960015
],
[
1.492500050665945,
4.295254116882379,
1.3160912766400017
],
[
8.4... | [
[
5.947092004263357,
0,
1.6846740539022668e-15
],
[
-2.973546002131678,
5.150333003446597,
3.6415437257285635e-16
],
[
0,
0,
7.886453
]
] | [
37,
49,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.07922 | 3.9987 | 0 | 164 | 164 | [
"In",
"Mo",
"O",
"Rb"
] |
mp-21883 | mp-21883 | VGaFe2 | # generated using pymatgen
data_VGaFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04244037
_cell_length_b 4.04244037
_cell_length_c 4.04244037
_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_VGaFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71687400
_cell_length_b 5.71687400
_cell_length_c 5.71687400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3339040358025103,
1.6503193703546064,
4.0424403700000004
],
[
0,
0,
0
],
[
3.500856053703765,
2.475479055531909,
6.063660555
],
[
1.1669520179012551,
0.8251596851773029,
2.0212201850000007
]
] | [
[
3.500856053703765,
0,
2.0212201850000002
],
[
1.1669520179012551,
3.3006387407092115,
2.0212201850000002
],
[
0,
0,
4.04244037
]
] | [
23,
31,
26,
26
] | [
1,
1,
1
] | -0.298427 | 0 | 0 | 225 | 225 | [
"V",
"Ga",
"Fe"
] |
mp-6931 | mp-6931 | Sr(AlSi)2 | # generated using pymatgen
data_Sr(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20633031
_cell_length_b 4.20633031
_cell_length_c 7.44788900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000495
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20633031
_cell_length_b 4.20633031
_cell_length_c 7.44788900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
-3.662564696844371e-16,
2.4285259973457887,
4.660732530531
],
[
2.1031649976428133,
1.2142629986728941,
2.787156469469001
],
[
-3.662564696844371e-16,
2.4285259973457887,
2.057866626478
],
[
2.1031649976428133,
1.2142629986728941... | [
[
4.206329995285627,
0,
1.191556310231708e-15
],
[
-2.103164997642814,
3.6427889960186834,
2.5756344751489977e-16
],
[
0,
0,
7.447889
]
] | [
38,
13,
13,
14,
14
] | [
1,
1,
1
] | -0.26715 | 0 | 0 | 164 | 164 | [
"Sr",
"Al",
"Si"
] |
mp-1083 | mp-1083 | NpB2 | # generated using pymatgen
data_NpB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04285772
_cell_length_b 3.04285772
_cell_length_c 3.99071800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999382
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NpB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04285772
_cell_length_b 3.04285772
_cell_length_c 3.99071800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
0,
0,
0
],
[
1.521429002117683,
0.8783973345233034,
1.9953590000000008
],
[
5.535254475428588e-16,
1.756794669046607,
1.9953590000000005
]
] | [
[
3.0428580042353652,
0,
8.619715191507481e-16
],
[
-1.5214290021176817,
2.63519200356991,
1.8632129835294067e-16
],
[
0,
0,
3.990718
]
] | [
93,
5,
5
] | [
1,
1,
1
] | -0.407968 | 0 | 0 | 191 | 191 | [
"B",
"Np"
] |
mp-1079754 | mp-1079754 | NiPSe3 | # generated using pymatgen
data_NiPSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16327728
_cell_length_b 6.16327728
_cell_length_c 6.93231534
_cell_angle_alpha 81.51156731
_cell_angle_beta 81.51156731
_cell_angle_gamma 120.03129151
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NiPSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16036200
_cell_length_b 10.67679200
_cell_length_c 6.93231534
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.17907682
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.885525361718279,
3.55893066593888,
1.819519489476887
],
[
2.9427626808591394,
1.77946533296944,
7.842075084738443
],
[
8.496267900346805,
5.338395998908321,
3.799610166044831
],
[
0.33202014223061427,
8.557657705014284e-17,
5.8619844081705
],
[
... | [
[
5.885525361718279,
0,
1.8195194894768867
],
[
2.9427626808591394,
5.338395998908321,
0.9097597447384435
],
[
0,
0,
6.93231534
]
] | [
28,
28,
15,
15,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.404473 | 0 | 0.053722 | 12 | 12 | [
"Ni",
"P",
"Se"
] |
mp-551092 | mp-551092 | KLiZnO2 | # generated using pymatgen
data_KLiZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73799353
_cell_length_b 5.73799353
_cell_length_c 8.33498711
_cell_angle_alpha 61.39542036
_cell_angle_beta 61.39542036
_cell_angle_gamma 34.33233728
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KLiZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.96476399
_cell_length_b 3.38706800
_cell_length_c 8.33498711
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.07173738
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.7575372845073174,
3.760302837851303,
6.306048707024043
],
[
0.9728269915306537,
1.6343855978599544,
3.312614448451613
],
[
1.6588641455752842,
2.0108862984766787,
7.866577995647948
],
[
3.0715001304626863,
3.3838021372345786,
1.752085159827709
],
[... | [
[
3.3001400249959647,
0,
0.7624338893924204
],
[
1.4302242510420065,
5.3946884357112594,
1.3328034452447959
],
[
0,
0,
7.5234258208384395
]
] | [
19,
19,
3,
3,
30,
30,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.813747 | 2.3118 | 0 | 12 | 12 | [
"K",
"Li",
"Zn",
"O"
] |
mp-1188596 | mp-1188596 | Er2Si5Ni3 | # generated using pymatgen
data_Er2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84378312
_cell_length_b 7.84378312
_cell_length_c 7.84378312
_cell_angle_alpha 138.07058986
_cell_angle_beta 104.32817105
_cell_angle_gamma 90.49022447
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Er2Si5Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61289800
_cell_length_b 9.62278800
_cell_length_c 11.04522800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.676497411364194,
4.401140512113629,
3.482406737842617
],
[
2.8264725380322204,
2.8543318485904137,
8.310774354494633
],
[
0.9834351246175563,
0.9608276937833149,
5.277122326391545
],
[
6.519534824778859,
6.294644666920727,
6.5160587659457025
],
[
... | [
[
5.241329815006127,
0,
2.0082544028207074
],
[
2.2616401343902877,
7.255472360704043,
1.9411435699534727
],
[
0,
0,
7.843783119563069
]
] | [
68,
68,
68,
68,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.745954 | 0 | 0.008026 | 72 | 72 | [
"Er",
"Ni",
"Si"
] |
mp-1025926 | mp-1025926 | Te2Mo2WS4 | # generated using pymatgen
data_Te2Mo2WS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30001987
_cell_length_b 3.30001987
_cell_length_c 30.26710600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999734
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Te2Mo2WS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30001987
_cell_length_b 3.30001987
_cell_length_c 30.26710600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.6500100013401098,
0.9526336673706465,
28.682562466688
],
[
1.6500100013401098,
0.9526336673706465,
24.85307741425
],
[
0,
0,
26.768500950354
],
[
1.6500100013401098,
0.9526336673706465,
19.762937129805998
],
[
0,
0,
12.763275394927998
... | [
[
3.3000200026802213,
0,
9.348195844100592e-16
],
[
-1.650010001340111,
2.857901002111939,
2.0206793854590825e-16
],
[
0,
0,
30.267106
]
] | [
52,
52,
42,
42,
74,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.900276 | 0 | 0.07047 | 156 | 156 | [
"Mo",
"S",
"Te",
"W"
] |
mp-1101973 | mp-1101973 | YbAsPt | # generated using pymatgen
data_YbAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30925226
_cell_length_b 4.30925226
_cell_length_c 15.56882200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000394
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30925226
_cell_length_b 4.30925226
_cell_length_c 15.56882200
_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,
7.784411
],
[
0,
0,
0
],
[
0,
0,
11.676616500000002
],
[
0,
0,
3.8922055
],
[
2.1546260016853775,
1.243974000852661,
2.011242701248002
],
[
9.690411461192176e-17,
2.4879480017053215,
13.557579298752001
],
[
9... | [
[
4.309252003370755,
0,
1.2207117422432247e-15
],
[
-2.154626001685378,
3.731922002557983,
2.638655993463749e-16
],
[
0,
0,
15.568822
]
] | [
70,
70,
70,
70,
33,
33,
33,
33,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.074827 | 0 | 0 | 194 | 194 | [
"As",
"Pt",
"Yb"
] |
mp-1218566 | mp-1218566 | SrEu3(NiO4)2 | # generated using pymatgen
data_SrEu3(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76451127
_cell_length_b 6.76451127
_cell_length_c 5.38033400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 132.91539428
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_SrEu3(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40384400
_cell_length_b 12.40294001
_cell_length_c 5.38033400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.380334000000001,
3.179702235177563,
0.5335632193050699
],
[
2.6901670000000006,
0.6897533991502096,
1.5831267565116813
],
[
2.690167000000002,
4.2578091408478045,
3.0080416210778824
],
[
5.380334000000001,
1.7843523616025456,
4.095457840697963
],
[... | [
[
5.380334,
0,
3.294504405721838e-16
],
[
1.896694874642647e-15,
4.954057309130283,
-2.1584360535266693
],
[
0,
0,
6.76451127
]
] | [
38,
63,
63,
63,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.454313 | 0 | 0.056194 | 38 | 38 | [
"Eu",
"Ni",
"O",
"Sr"
] |
mp-1086653 | mp-1086653 | Yb(BC)2 | # generated using pymatgen
data_Yb(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78217100
_cell_length_b 3.78217100
_cell_length_c 7.40314000
_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_Yb(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78217100
_cell_length_b 3.78217100
_cell_length_c 7.40314000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
5.5523549999999995
],
[
0,
0,
1.850785
],
[
0.8283181420259998,
1.8910855,
1.665154482898398e-16
],
[
2.9538528579739998,
1.8910855,
2.9666691260795464e-16
],
[
1.8910855,
0.828318142026,
3.70157
],
[
1.8910854999999998,
... | [
[
3.782171,
0,
2.315911804488972e-16
],
[
-2.315911804488972e-16,
3.782171,
2.315911804488972e-16
],
[
0,
0,
7.40314
]
] | [
70,
70,
5,
5,
5,
5,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.27335 | 0 | 0.018226 | 131 | 131 | [
"B",
"C",
"Yb"
] |
mp-1523086 | mp-1523086 | Eu2ZnWO6 | # generated using pymatgen
data_Eu2ZnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68977929
_cell_length_b 5.68977929
_cell_length_c 5.68977929
_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_Eu2ZnWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04656304
_cell_length_b 8.04656304
_cell_length_c 8.04656304
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.927493407066585,
3.4842640023887874,
8.534668935000001
],
[
1.642497802355528,
1.1614213341295945,
2.844889645
],
[
0,
0,
0
],
[
3.2849956047110562,
2.322842668259191,
5.68977929
],
[
2.4904354532240305,
3.446520410613364,
4.31356073795... | [
[
4.927493407066586,
0,
2.8448896450000003
],
[
1.6424978023555277,
4.645685336518384,
2.8448896450000003
],
[
0,
0,
5.68977929
]
] | [
63,
63,
30,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.611538 | 0.4695 | 0 | 225 | 225 | [
"Eu",
"O",
"W",
"Zn"
] |
mp-31089 | mp-31089 | Ho2Pd2Pb | # generated using pymatgen
data_Ho2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94794600
_cell_length_b 7.94794600
_cell_length_c 3.57163400
_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_Ho2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94794600
_cell_length_b 7.94794600
_cell_length_c 3.57163400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7858169999999998,
5.327484359962,
1.3535113599620008
],
[
1.785817,
1.3535113599620003,
2.6204616400380005
],
[
1.7858169999999995,
6.594434640038001,
5.327484359962001
],
[
1.7858169999999998,
2.620461640038,
6.594434640038001
],
[
3.571634,
... | [
[
3.571634,
0,
2.186995072912929e-16
],
[
-4.866713314348005e-16,
7.947946,
4.866713314348005e-16
],
[
0,
0,
7.947946
]
] | [
67,
67,
67,
67,
46,
46,
46,
46,
82,
82
] | [
1,
1,
1
] | -0.844131 | 0 | 0 | 127 | 127 | [
"Ho",
"Pb",
"Pd"
] |
mp-1187974 | mp-1187974 | ZnAg | # generated using pymatgen
data_ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91398968
_cell_length_b 2.91398968
_cell_length_c 4.50504000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999280
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91398968
_cell_length_b 2.91398968
_cell_length_c 4.50504000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
0,
0,
0
],
[
1.456994998561776,
0.8411963325666656,
2.2525200000000005
]
] | [
[
2.9139899971235517,
0,
8.254661838030303e-16
],
[
-1.4569949985617756,
2.5235889976999966,
1.78430406718021e-16
],
[
0,
0,
4.50504
]
] | [
30,
47
] | [
1,
1,
1
] | -0.038408 | 0 | 0.016121 | 187 | 187 | [
"Ag",
"Zn"
] |
mp-31058 | mp-31058 | Er3InN | # generated using pymatgen
data_Er3InN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76446900
_cell_length_b 4.76446900
_cell_length_c 4.76446900
_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_Er3InN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76446900
_cell_length_b 4.76446900
_cell_length_c 4.76446900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3822345,
2.3822345,
2.9173958552433953e-16
],
[
-1.4586979276216977e-16,
2.3822345,
2.3822345
],
[
2.3822345,
0,
2.3822345
],
[
0,
0,
0
],
[
2.3822345,
2.3822345,
2.3822345000000005
]
] | [
[
4.764469,
0,
2.9173958552433953e-16
],
[
-2.9173958552433953e-16,
4.764469,
2.9173958552433953e-16
],
[
0,
0,
4.764469
]
] | [
68,
68,
68,
49,
7
] | [
1,
1,
1
] | -1.084737 | 0 | 0 | 221 | 221 | [
"Er",
"In",
"N"
] |
mp-1181447 | mp-1181447 | EuH2 | # generated using pymatgen
data_EuH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97549554
_cell_length_b 3.97549554
_cell_length_c 5.47575800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999238
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_EuH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97549554
_cell_length_b 3.97549554
_cell_length_c 5.47575800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
1.108409364135417e-15,
2.2952533320615833,
1.3689395000000004
],
[
1.9877479989413493,
1.1476266660307917,
4.106818500000001
],
[
1.9877479989413493,
1.1476266660307917,
1.3689395000000009
],
[
1.108409364135417e-15,
2.2952533320615833,
4.1068185
],
... | [
[
3.9754959978826983,
0,
1.1261663606724148e-15
],
[
-1.9877479989413482,
3.4428799980923754,
2.434288944042789e-16
],
[
0,
0,
5.475758
]
] | [
63,
63,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.641436 | 0 | 0.032823 | 194 | 194 | [
"Eu",
"H"
] |
mp-1184169 | mp-1184169 | ErLuHg2 | # generated using pymatgen
data_ErLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19330191
_cell_length_b 5.19330191
_cell_length_c 5.19330191
_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_ErLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34443799
_cell_length_b 7.34443799
_cell_length_c 7.34443799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9983542557214977,
2.120156626620214,
5.19330191
],
[
0,
0,
0
],
[
4.497531383582246,
3.180234939930322,
7.789952865000001
],
[
1.4991771278607482,
1.0600783133101066,
2.5966509549999994
]
] | [
[
4.497531383582246,
0,
2.5966509550000008
],
[
1.499177127860748,
4.24031325324043,
2.5966509550000003
],
[
0,
0,
5.19330191
]
] | [
68,
71,
80,
80
] | [
1,
1,
1
] | -0.473493 | 0 | 0.0049 | 225 | 225 | [
"Er",
"Hg",
"Lu"
] |
mp-1018713 | mp-1018713 | HfCuSn | # generated using pymatgen
data_HfCuSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49211191
_cell_length_b 4.49211191
_cell_length_c 6.40090700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999861
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HfCuSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49211191
_cell_length_b 4.49211191
_cell_length_c 6.40090700
_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,
3.2056446355770007
],
[
0,
0,
0.0051911355770007505
],
[
1.906174773418421e-15,
2.5935220023052623,
5.140261168164001
],
[
2.2460560021892824,
1.2967610011526312,
1.9398076681640009
],
[
1.906174773418421e-15,
2.5935220023052623,
1.... | [
[
4.492112004378563,
0,
1.272511764669909e-15
],
[
-2.2460560021892793,
3.890283003457893,
2.750625235996602e-16
],
[
0,
0,
6.400907
]
] | [
72,
72,
29,
29,
50,
50
] | [
1,
1,
1
] | -0.269108 | 0 | 0 | 186 | 186 | [
"Cu",
"Hf",
"Sn"
] |
mp-560354 | mp-560354 | SbCl(OF3)2 | # generated using pymatgen
data_SbCl(OF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84145800
_cell_length_b 7.21132800
_cell_length_c 7.65241300
_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_SbCl(OF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84145800
_cell_length_b 7.21132800
_cell_length_c 7.65241300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.720896148338,
0,
3.8262065000000005
],
[
0.12056185166199979,
3.605664,
2.281655281068994e-16
],
[
3.660000558648,
0,
2.241103984512899e-16
],
[
2.1814574413520003,
3.605664,
3.8262065000000005
],
[
2.920501183138,
3.605664,
5.043368702... | [
[
5.841458,
0,
3.57686142102685e-16
],
[
-4.4156648764008423e-16,
7.211328,
4.4156648764008423e-16
],
[
0,
0,
7.652413
]
] | [
51,
51,
17,
17,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.897753 | 1.928 | 0 | 59 | 59 | [
"Cl",
"F",
"O",
"Sb"
] |
mp-1183792 | mp-1183792 | DyLuHg2 | # generated using pymatgen
data_DyLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22351517
_cell_length_b 5.22351517
_cell_length_c 5.22351517
_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_DyLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38716600
_cell_length_b 7.38716600
_cell_length_c 7.38716600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0157978895155932,
2.1324911383645544,
5.223515169999998
],
[
0,
0,
0
],
[
4.52369683427339,
3.198736707546832,
7.835272754999998
],
[
1.5078989447577968,
1.0662455691822774,
2.6117575849999994
]
] | [
[
4.523696834273391,
0,
2.6117575849999994
],
[
1.507898944757796,
4.26498227672911,
2.611757584999999
],
[
0,
0,
5.22351517
]
] | [
66,
71,
80,
80
] | [
1,
1,
1
] | -0.474714 | 0 | 0.004347 | 225 | 225 | [
"Dy",
"Hg",
"Lu"
] |
mp-1025279 | mp-1025279 | Ti(CrSe2)2 | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98080642
_cell_length_b 6.98080642
_cell_length_c 6.52292131
_cell_angle_alpha 62.72570681
_cell_angle_beta 62.72570681
_cell_angle_gamma 30.25059248
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.47794799
_cell_length_b 3.64301400
_cell_length_c 6.52292131
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.33952198
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
0.6927789201690294,
1.6006900303858382,
2.5630530825987763
],
[
2.0160858403073467,
4.140459965618027,
0.4780449932657537
],
[
0.0756085481283315,
2.565714192064132,
0.27972664396869584
],
[
2.6332562123480447,
3.175435803939733,... | [
[
3.516810970358505,
0,
-0.9505743455040869
],
[
-0.8079462098821286,
5.741149996003863,
-2.989133998631386
],
[
0,
0,
6.98080642
]
] | [
22,
24,
24,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.983394 | 0 | 0.025618 | 12 | 12 | [
"Cr",
"Se",
"Ti"
] |
mp-1079407 | mp-1079407 | NiPW | # generated using pymatgen
data_NiPW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83520768
_cell_length_b 5.83520768
_cell_length_c 3.78622600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999642
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NiPW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83520768
_cell_length_b 5.83520768
_cell_length_c 3.78622600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
4.903588200496131e-16,
1.280788875976153,
0.7394636956169043
],
[
3.786226,
9.516895381966044e-16,
4.356280128711679
],
[
3.7862260000000014,
3.7726493935619128,
-2.1781403000814845
],
[
3.7862260000000014,
3.3689588463587112,
-2.1050193549996323e-7
],... | [
[
3.786226,
0,
2.318394775874243e-16
],
[
1.934743558071301e-15,
5.053438269538066,
-2.9176041557529024
],
[
0,
0,
5.83520768
]
] | [
28,
28,
28,
15,
15,
15,
74,
74,
74
] | [
1,
1,
1
] | -0.350827 | 0 | 0.020637 | 189 | 189 | [
"Ni",
"P",
"W"
] |
mp-1183338 | mp-1183338 | BaNa2Sn | # generated using pymatgen
data_BaNa2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64693637
_cell_length_b 5.64693637
_cell_length_c 5.64693637
_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_BaNa2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98597400
_cell_length_b 7.98597400
_cell_length_c 7.98597400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2602602333161874,
2.305352119410712,
5.64693637
],
[
4.890390349974281,
3.4580281791160683,
8.470404555
],
[
1.6301301166580937,
1.152676059705356,
2.8234681850000003
],
[
0,
0,
0
]
] | [
[
4.890390349974282,
0,
2.8234681850000003
],
[
1.630130116658093,
4.610704238821424,
2.8234681850000003
],
[
0,
0,
5.646936369999999
]
] | [
56,
11,
11,
50
] | [
1,
1,
1
] | -0.291171 | 0 | 0.060152 | 225 | 225 | [
"Ba",
"Na",
"Sn"
] |
mp-541177 | mp-541177 | GdVO3 | # generated using pymatgen
data_GdVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41084900
_cell_length_b 5.69855300
_cell_length_c 7.72752200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | # generated using pymatgen
data_GdVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41084900
_cell_length_b 5.69855300
_cell_length_c 7.72752200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | [
[
5.296220163935,
5.3155703485290005,
1.9318805000000006
],
[
2.590795663935,
3.232259151471,
5.7956415
],
[
2.820053336065,
2.4662938485290002,
1.9318805000000001
],
[
0.11462883606499996,
0.382982651471,
5.7956414999999994
],
[
2.7054245,
0,
... | [
[
5.410849,
0,
3.3131894542598284e-16
],
[
-3.489357345610774e-16,
5.698553,
3.489357345610774e-16
],
[
0,
0,
7.727522
]
] | [
64,
64,
64,
64,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.252684 | 1.4497 | 0 | 62 | 62 | [
"Gd",
"O",
"V"
] |
mp-1071032 | mp-1071032 | GeS2 | # generated using pymatgen
data_GeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53275000
_cell_length_b 3.53275000
_cell_length_c 11.50966800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | # generated using pymatgen
data_GeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53275000
_cell_length_b 3.53275000
_cell_length_c 11.50966800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | [
[
0,
0,
5.754834
],
[
1.766375,
1.766375,
2.1631854898439061e-16
],
[
-1.0815927449219531e-16,
1.766375,
10.081939723272
],
[
-1.0815927449219531e-16,
1.766375,
4.327105723272
],
[
1.766375,
0,
7.1825622767279995
],
[
1.766375,
... | [
[
3.53275,
0,
2.1631854898439061e-16
],
[
-2.1631854898439061e-16,
3.53275,
2.1631854898439061e-16
],
[
0,
0,
11.509668
]
] | [
32,
32,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.608962 | 1.604 | 0.051601 | 137 | 137 | [
"Ge",
"S"
] |
mp-769118 | mp-769118 | HoSO | # generated using pymatgen
data_HoSO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84483499
_cell_length_b 6.84483499
_cell_length_c 5.64854900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.18936790
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_HoSO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65642000
_cell_length_b 12.46643401
_cell_length_c 5.64854900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | [
[
1.3100869148695655e-15,
3.421871247175869,
0.6967782674895542
],
[
2.824274500000002,
4.304617427234844,
2.6423015831389765
],
[
2.8242745000000005,
0.8463750223722986,
1.8653633139467112
],
[
6.620059312279298e-16,
1.7291212024312719,
3.8108866295961326... | [
[
5.648549,
0,
3.4587387263384917e-16
],
[
1.9720928460974956e-15,
5.150992449607142,
-2.337170092914313
],
[
0,
0,
6.84483499
]
] | [
67,
67,
67,
67,
16,
16,
16,
16,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.033668 | 1.2121 | 0.015983 | 64 | 64 | [
"Ho",
"O",
"S"
] |
mp-760439 | mp-760439 | TaTiO4 | # generated using pymatgen
data_TaTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66133426
_cell_length_b 5.66133426
_cell_length_c 5.66133426
_cell_angle_alpha 106.79320024
_cell_angle_beta 106.79320024
_cell_angle_gamma 114.97126242
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TaTiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75139601
_cell_length_b 6.75139601
_cell_length_c 6.08606000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.9026563389073775,
3.3623372157940747,
1.2152771278235293
],
[
1.199843222708671,
2.2322203650304737,
-1.6153900023309942
],
[
3.3259337261563364,
1.1459927322831278,
1.1835158349896666
],
[
0.008533462530913154,
0.015875881519526885,
5.649845367287347... | [
[
5.419899825241471,
0,
-1.6356624024522046
],
[
-2.9900984212227195,
4.520467403054404,
-1.635662401834109
],
[
0,
0,
5.66133426
]
] | [
73,
73,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.317216 | 0 | 0.004968 | 109 | 109 | [
"Ta",
"Ti",
"O"
] |
mp-2620 | mp-2620 | DySi | # generated using pymatgen
data_DySi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68876860
_cell_length_b 5.68876860
_cell_length_c 3.83474500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.74611625
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | # generated using pymatgen
data_DySi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28546200
_cell_length_b 10.53960000
_cell_length_c 3.83474500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | [
[
2.8760587500000003,
3.413518569482661,
2.706387001714593
],
[
0.9586862500000001,
0.5563260910357265,
1.368219918676578
],
[
2.8760587500000003,
2.287686503138289,
-0.06246724236626258
],
[
0.9586862500000002,
1.6821581573800986,
4.137074162757433
]
] | [
[
3.834745,
0,
2.3481040948981583e-16
],
[
6.383997114277475e-16,
3.9698446605183864,
-1.61416167960883
],
[
0,
0,
5.6887686
]
] | [
66,
66,
14,
14
] | [
1,
1,
1
] | -0.792685 | 0 | 0 | 63 | 63 | [
"Dy",
"Si"
] |
mp-1112983 | mp-1112983 | Cs3AsCl6 | # generated using pymatgen
data_Cs3AsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17137546
_cell_length_b 8.17137546
_cell_length_c 8.17137546
_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_Cs3AsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.55607000
_cell_length_b 11.55607000
_cell_length_c 11.55607000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.3588729107402506,
1.6679750311416797,
4.08568773
],
[
7.076618732220753,
5.003925093425043,
12.25706319
],
[
4.7177458214805,
3.3359500622833624,
8.17137546
],
[
0,
0,
0
],
[
3.386808394545173,
5.218179822125254,
5.866124214853022
],
... | [
[
7.076618732220753,
0,
4.085687730000001
],
[
2.3588729107402515,
6.671900124566725,
4.085687730000001
],
[
0,
0,
8.17137546
]
] | [
55,
55,
55,
33,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.821231 | 3.5129 | 0.050264 | 225 | 225 | [
"As",
"Cl",
"Cs"
] |
mp-2593 | mp-2593 | AlNi3 | # generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56108400
_cell_length_b 3.56108400
_cell_length_c 3.56108400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56108400
_cell_length_b 3.56108400
_cell_length_c 3.56108400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
0,
0,
0
],
[
1.780542,
1.780542,
2.1805350610474268e-16
],
[
1.780542,
0,
1.780542
],
[
-1.0902675305237134e-16,
1.780542,
1.780542
]
] | [
[
3.561084,
0,
2.1805350610474268e-16
],
[
-2.1805350610474268e-16,
3.561084,
2.1805350610474268e-16
],
[
0,
0,
3.561084
]
] | [
13,
28,
28,
28
] | [
1,
1,
1
] | -0.434095 | 0 | 0 | 221 | 221 | [
"Al",
"Ni"
] |
mp-1103870 | mp-1103870 | Eu(In2Ag)4 | # generated using pymatgen
data_Eu(In2Ag)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13853028
_cell_length_b 8.13853028
_cell_length_c 8.13853028
_cell_angle_alpha 98.38959050
_cell_angle_beta 98.38959050
_cell_angle_gamma 135.08811565
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu(In2Ag)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63688600
_cell_length_b 10.63688600
_cell_length_c 6.21739600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
6.742912933776321,
2.610028512570029,
8.101287797689375
],
[
1.8760162328647505,
4.911385706983788,
3.599557636405018
],
[
3.869936544336337,
4.911385706983787,
6.913849412759941
],
[
4.748992622304733,
2.6100285125700284,
4.... | [
[
5.745952778344289,
0,
2.3748767696374626
],
[
2.8729763882967805,
7.521414219553816,
1.1874383844569305
],
[
0,
0,
8.13853028
]
] | [
63,
49,
49,
49,
49,
49,
49,
49,
49,
47,
47,
47,
47
] | [
1,
1,
1
] | -0.076366 | 0 | 0.050749 | 139 | 139 | [
"Ag",
"Eu",
"In"
] |
mp-1225308 | mp-1225308 | DyAlCo4 | # generated using pymatgen
data_DyAlCo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87447800
_cell_length_b 5.02769301
_cell_length_c 5.02716063
_cell_angle_alpha 60.00163384
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyAlCo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02735581
_cell_length_b 5.02735581
_cell_length_c 3.87447800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.6657576220579833e-16,
4.353512578343385,
2.514151969991307
],
[
-8.888631338837716e-17,
1.4516236591687215,
2.513445212527198
],
[
-1.777097989805486e-16,
2.902221262559574,
0.0005517819457550413
],
[
1.9372389999999997,
4.331678053339092,
0.000481894... | [
[
3.874478,
0,
2.3724335405334194e-16
],
[
-2.665960235035846e-16,
4.3538434704471385,
-2.5132431308305243
],
[
0,
0,
5.027550995362568
]
] | [
66,
13,
27,
27,
27,
27
] | [
1,
1,
1
] | -0.253351 | 0 | 0.068124 | 187 | 187 | [
"Al",
"Co",
"Dy"
] |
mp-614964 | mp-614964 | Ba2PrCu3O8 | # generated using pymatgen
data_Ba2PrCu3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97595500
_cell_length_b 3.97595500
_cell_length_c 11.72950400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba2PrCu3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97595500
_cell_length_b 3.97595500
_cell_length_c 11.72950400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
9.764272522816
],
[
0,
0,
1.965231477184
],
[
0,
0,
5.864752
],
[
1.9879774999999997,
1.9879775,
3.9858262132480005
],
[
1.9879774999999997,
1.9879775,
7.743677786752
],
[
1.9879774999999997,
1.9879775,
2.43457028215... | [
[
3.975955,
0,
2.4345702821519575e-16
],
[
-2.4345702821519575e-16,
3.975955,
2.4345702821519575e-16
],
[
0,
0,
11.729504
]
] | [
56,
56,
59,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.021409 | 0 | 0.059292 | 123 | 123 | [
"Ba",
"Cu",
"O",
"Pr"
] |
mp-21065 | mp-21065 | SiP2 | # generated using pymatgen
data_SiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74217300
_cell_length_b 5.74217300
_cell_length_c 5.74217300
_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_SiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74217300
_cell_length_b 5.74217300
_cell_length_c 5.74217300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | [
[
2.8710865,
2.8710865,
3.5160668923001773e-16
],
[
2.8710865,
0,
2.8710865
],
[
-1.7580334461500887e-16,
2.8710865,
2.8710865
],
[
0,
0,
0
],
[
0.6249895936659997,
5.117183406334,
2.2460969063340004
],
[
5.117183406334,
2.24609... | [
[
5.742173,
0,
3.5160668923001773e-16
],
[
-3.5160668923001773e-16,
5.742173,
3.5160668923001773e-16
],
[
0,
0,
5.742173
]
] | [
14,
14,
14,
14,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.109665 | 0 | 0.015457 | 205 | 205 | [
"Si",
"P"
] |
mp-18921 | mp-18921 | NaCoO2 | # generated using pymatgen
data_NaCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51386335
_cell_length_b 5.51386335
_cell_length_c 5.51386310
_cell_angle_alpha 30.70722325
_cell_angle_beta 30.70722325
_cell_angle_gamma 30.70722841
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91987173
_cell_length_b 2.91987173
_cell_length_c 15.74951561
_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
],
[
2.058676730184301,
1.2483537461892638,
3.5300416545860096
],
[
0.9466660249614095,
0.5740454833551636,
2.0661128432677405
],
[
3.170687435407193,
1.9226620090233644,
4.993970465904282
]
] | [
[
2.815661570385636,
0,
0.7731101045860096
],
[
1.3016918899829666,
2.496707492378528,
0.7731101045860096
],
[
0,
0,
5.5138631
]
] | [
11,
27,
8,
8
] | [
1,
1,
1
] | -1.568547 | 2.1839 | 0 | 166 | 166 | [
"Co",
"Na",
"O"
] |
mp-10343 | mp-10343 | Sc2BC2 | # generated using pymatgen
data_Sc2BC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84220838
_cell_length_b 5.84220838
_cell_length_c 5.84220838
_cell_angle_alpha 146.78094378
_cell_angle_beta 146.78094378
_cell_angle_gamma 47.68824054
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sc2BC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33996400
_cell_length_b 3.33996400
_cell_length_c 10.68713600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9022758096094103,
2.0797885745633997,
0.5349752135875013
],
[
1.0135407529687213,
1.1081203194775164,
3.397790913711715
],
[
0,
0,
0
],
[
2.5112295196210406,
2.745567407539375,
2.576429764564408
],
[
0.40458704295709125,
0.4423414865015414,... | [
[
3.200604177838438,
0,
-0.9547211261707491
],
[
-0.284787615260306,
3.187908894040916,
-0.9547211265300339
],
[
0,
0,
5.84220838
]
] | [
21,
21,
5,
6,
6
] | [
1,
1,
1
] | -0.570126 | 0 | 0 | 139 | 139 | [
"Sc",
"B",
"C"
] |
mp-7831 | mp-7831 | MgIn2O4 | # generated using pymatgen
data_MgIn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40616258
_cell_length_b 6.40616258
_cell_length_c 6.40616258
_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_MgIn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05968200
_cell_length_b 9.05968200
_cell_length_c 9.05968200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.547899535053261,
3.922957382577854,
9.60924387
],
[
0,
0,
0
],
[
2.7739497675266307,
1.961478691288927,
8.007703225
],
[
5.547899535053261,
1.9614786912889284,
6.406162580000002
],
[
2.7739497675266307,
1.9614786912889277,
4.80462193500... | [
[
5.547899535053261,
0,
3.203081290000001
],
[
1.8492998450177538,
5.230609843437139,
3.2030812900000005
],
[
0,
0,
6.406162579999999
]
] | [
12,
12,
49,
49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.271853 | 1.8377 | 0.027011 | 227 | 227 | [
"In",
"Mg",
"O"
] |
mp-30404 | mp-30404 | Li2SbAu | # generated using pymatgen
data_Li2SbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67850131
_cell_length_b 4.67850131
_cell_length_c 4.67850131
_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_Li2SbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61640000
_cell_length_b 6.61640000
_cell_length_c 6.61640000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.051700986098774,
2.864985242610665,
7.0177519649999995
],
[
2.701133990732516,
1.9099901617404431,
4.678501309999999
],
[
0,
0,
0
],
[
1.3505669953662576,
0.9549950808702207,
2.339250654999999
]
] | [
[
4.0517009860987745,
0,
2.3392506550000003
],
[
1.3505669953662571,
3.8199803234808862,
2.339250655
],
[
0,
0,
4.678501309999999
]
] | [
3,
3,
51,
79
] | [
1,
1,
1
] | -0.585817 | 0 | 0 | 216 | 216 | [
"Li",
"Sb",
"Au"
] |
mp-1078582 | mp-1078582 | UInPt | # generated using pymatgen
data_UInPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38997468
_cell_length_b 7.38997468
_cell_length_c 4.18528300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000607
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_UInPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38997468
_cell_length_b 7.38997468
_cell_length_c 4.18528300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0926415,
1.620841435056739e-16,
3.0863490253552
],
[
2.092641500000001,
2.6728564974167304,
-1.5431742295112034
],
[
2.0926415000000014,
3.727048917334564,
2.1518132221715116
],
[
2.45024775470099e-15,
6.399905414751294,
1.8424617752584276
],
[
... | [
[
4.185283,
0,
2.562746714737916e-16
],
[
2.45024775470099e-15,
6.399905414751294,
-3.6949866619844927
],
[
0,
0,
7.389974680000001
]
] | [
92,
92,
92,
49,
49,
49,
78,
78,
78
] | [
1,
1,
1
] | -0.450044 | 0 | 0.008647 | 189 | 189 | [
"In",
"Pt",
"U"
] |
mp-1114371 | mp-1114371 | Rb2TlFeF6 | # generated using pymatgen
data_Rb2TlFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40844400
_cell_length_b 6.40844374
_cell_length_c 6.40844419
_cell_angle_alpha 60.00000441
_cell_angle_beta 60.00000098
_cell_angle_gamma 59.99999865
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb2TlFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.06290848
_cell_length_b 9.06290848
_cell_length_c 9.06290848
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.549875353153983,
3.9243547508553136,
9.612665565532843
],
[
1.8499584510513298,
1.3081182502851045,
3.2042218551776154
],
[
3.6999169021026557,
2.6162365005702086,
6.408443710355229
],
[
0,
0,
0
],
[
2.624617525485607,
4.136939663945647,
... | [
[
5.549875227895504,
0,
3.2042216096170715
],
[
1.849958576309805,
5.232473001140418,
3.204222071859234
],
[
0,
0,
6.408443739234151
]
] | [
37,
37,
81,
26,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.681623 | 2.9912 | 0.031354 | 225 | 225 | [
"F",
"Fe",
"Rb",
"Tl"
] |
mp-1184761 | mp-1184761 | Ir3Os | # generated using pymatgen
data_Ir3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86966300
_cell_length_b 3.86966300
_cell_length_c 3.86966300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | # generated using pymatgen
data_Ir3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86966300
_cell_length_b 3.86966300
_cell_length_c 3.86966300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | [
[
-1.184742601682236e-16,
1.9348315,
1.9348315000000003
],
[
1.9348314999999998,
1.9348315,
2.369485203364472e-16
],
[
1.9348315,
0,
1.9348315000000003
],
[
0,
0,
0
]
] | [
[
3.869663,
0,
2.369485203364472e-16
],
[
-2.369485203364472e-16,
3.869663,
2.369485203364472e-16
],
[
0,
0,
3.869663
]
] | [
77,
77,
77,
76
] | [
1,
1,
1
] | 0.021674 | 0 | 0.021674 | 221 | 221 | [
"Ir",
"Os"
] |
mp-1078428 | mp-1078428 | Ca2GaPt2 | # generated using pymatgen
data_Ca2GaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70280595
_cell_length_b 5.70280595
_cell_length_c 7.87923807
_cell_angle_alpha 79.03743716
_cell_angle_beta 79.03743716
_cell_angle_gamma 59.86498511
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca2GaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.88426199
_cell_length_b 5.69116400
_cell_length_c 7.87923807
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.67599456
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.7658400199756265,
3.3747428839594367,
1.999617517938402
],
[
2.0797419784252598,
1.446931420287012,
0.8555128368524602
],
[
3.611422018376511,
1.446931420287012,
4.79513187185246
],
[
0.7658400199756247,
3.3747428839594367,
5.939236552938405
],
[
... | [
[
5.691163996801772,
0,
3.484832886052974e-16
],
[
-2.845581998400886,
4.8216743042464465,
-1.0844886802091378
],
[
0,
0,
7.87923807
]
] | [
20,
20,
20,
20,
31,
31,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.971204 | 0 | 0 | 15 | 15 | [
"Ca",
"Ga",
"Pt"
] |
mp-1114621 | mp-1114621 | Rb3DyCl6 | # generated using pymatgen
data_Rb3DyCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13634115
_cell_length_b 8.13634115
_cell_length_c 8.13634115
_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_Rb3DyCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.50652400
_cell_length_b 11.50652400
_cell_length_c 11.50652400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.3487593765855634,
1.6608236825591378,
4.068170574999999
],
[
7.046278129756693,
4.98247104767742,
12.204511725
],
[
4.697518753171129,
3.32164736511828,
8.13634115
],
[
0,
0,
0
],
[
3.424608609030582,
5.12181415464413,
5.931596106878747... | [
[
7.046278129756693,
0,
4.068170575000001
],
[
2.3487593765855643,
6.64329473023656,
4.068170575
],
[
0,
0,
8.136341149999998
]
] | [
37,
37,
37,
66,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.44952 | 4.7176 | 0.055164 | 225 | 225 | [
"Cl",
"Dy",
"Rb"
] |
mp-1223664 | mp-1223664 | K2H4Pt | # generated using pymatgen
data_K2H4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66924678
_cell_length_b 5.66924678
_cell_length_c 5.66924678
_cell_angle_alpha 118.34966757
_cell_angle_beta 118.34966757
_cell_angle_gamma 92.88304707
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2H4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81007200
_cell_length_b 5.81007200
_cell_length_c 7.81329399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6914626224033198,
1.1655776558932451,
2.8346233897398707
],
[
0.08507622720826802,
3.496732967679736,
-0.14257427843458284
],
[
-2.560698786534156,
3.7160340724807384,
0.9233733843024752
],
[
0.40332331322705783,
3.716038734791362,
2.692051803565586
... | [
[
4.98931164000169,
0,
-2.692049112345804
],
[
-3.2127727903901024,
4.662310623572981,
-0.2851485563489081
],
[
0,
0,
5.66924678
]
] | [
19,
19,
1,
1,
1,
1,
78
] | [
1,
1,
1
] | -0.402773 | 2.6551 | 0.008786 | 139 | 139 | [
"H",
"K",
"Pt"
] |
mp-569406 | mp-569406 | TmZn2 | # generated using pymatgen
data_TmZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60074027
_cell_length_b 5.60074027
_cell_length_c 5.60074027
_cell_angle_alpha 132.86503080
_cell_angle_beta 102.61118680
_cell_angle_gamma 95.81936635
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47867600
_cell_length_b 7.00278999
_cell_length_c 7.50836599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
2.462456169820706,
1.437794077505891,
5.556410906188118
],
[
3.5523561454919155,
3.6833394205222647,
3.057864402261262
],
[
4.776497368159045,
3.6334544591179725,
5.8523105664248805
],
[
1.2383149471535773,
1.4876790389101835,
2.761964742024499
],
[
... | [
[
4.105108647912738,
0,
1.7907042375536724
],
[
1.9097036673998833,
5.121133498028156,
1.2228308019072
],
[
0,
0,
5.600740268988507
]
] | [
69,
69,
30,
30,
30,
30
] | [
1,
1,
1
] | -0.38779 | 0 | 0 | 74 | 74 | [
"Tm",
"Zn"
] |
mp-1079945 | mp-1079945 | SrAs3 | # generated using pymatgen
data_SrAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02221500
_cell_length_b 6.18709414
_cell_length_c 6.24395837
_cell_angle_alpha 77.69302723
_cell_angle_beta 70.18257546
_cell_angle_gamma 74.26204241
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SrAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02221500
_cell_length_b 6.18709414
_cell_length_c 6.24395837
_cell_angle_alpha 77.69302723
_cell_angle_beta 70.18257546
_cell_angle_gamma 74.26204241
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
4.6344677896396815,
4.000359411004153,
6.293749631544782
],
[
2.3396744155385685,
1.9012161843436886,
3.3106591209160725
],
[
5.772339626892982,
5.900885111003186,
2.9818349983230807
],
[
1.201802578285268,
0.0006904843446556974,
6.622573754137774
],
... | [
[
5.665565636603746,
0,
2.0416756656138593
],
[
1.3085765685745043,
5.9015755953478415,
1.318774716846995
],
[
0,
0,
6.24395837
]
] | [
38,
38,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.59698 | 0 | 0.004829 | 2 | 2 | [
"As",
"Sr"
] |
mp-1225864 | mp-1225864 | CsVTeO6 | # generated using pymatgen
data_CsVTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19837693
_cell_length_b 7.19837693
_cell_length_c 7.19837693
_cell_angle_alpha 120.73414734
_cell_angle_beta 119.30518867
_cell_angle_gamma 89.97039477
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CsVTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11835200
_cell_length_b 7.27384200
_cell_length_c 10.18267200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.154888104622937,
3.7263946849887364,
5.3346394347617565
],
[
3.1229741453696795,
2.1924352151018573,
8.906673672060228
],
[
3.093674684386027,
5.690421814239992e-16,
5.3589926429558306
],
[
6.187349368772054,
4.2800162918986135e-17,
7.1187968211355015
... | [
[
6.187349368772054,
0,
3.5196083563593423
],
[
2.0905128812205622,
5.918829900090594,
3.5233278209103243
],
[
0,
0,
7.198376929552318
]
] | [
55,
55,
23,
23,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.972907 | 1.634 | 0 | 74 | 74 | [
"Cs",
"O",
"Te",
"V"
] |
mp-1224713 | mp-1224713 | Fe2NiP | # generated using pymatgen
data_Fe2NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74702632
_cell_length_b 6.74702632
_cell_length_c 6.74702632
_cell_angle_alpha 96.16968961
_cell_angle_beta 96.16968961
_cell_angle_gamma 141.72559542
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Fe2NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.01442400
_cell_length_b 9.01442400
_cell_length_c 4.42377400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.251841688406224,
5.190695487224219,
2.017907878954684
],
[
3.283274529207828,
1.1834648538940673,
7.690868474462343
],
[
0.5685916289427924,
0.18467854756322,
1.4499926969911021
],
[
3.4341953080577827,
6.189481793555067,
6.686027453018141
],
[
... | [
[
4.179299659108889,
0,
1.450251969308339
],
[
2.0896498285485947,
6.374160341118287,
0.7251259843051321
],
[
0,
0,
6.74702632
]
] | [
26,
26,
26,
26,
26,
26,
26,
26,
28,
28,
28,
28,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.339663 | 0 | 0.043845 | 82 | 82 | [
"Fe",
"Ni",
"P"
] |
mp-1105331 | mp-1105331 | Dy12Co5Sn | # generated using pymatgen
data_Dy12Co5Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34623729
_cell_length_b 8.34623729
_cell_length_c 8.34623729
_cell_angle_alpha 107.10015993
_cell_angle_beta 110.41895721
_cell_angle_gamma 110.92066170
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Dy12Co5Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.46424400
_cell_length_b 9.52435400
_cell_length_c 9.91733200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.932047446568647,
1.261865291106538,
0.546947488405981
],
[
-2.4976760052444784,
5.607597130264769,
0.0893006772809307
],
[
6.2381671733124815,
1.2618652911065384,
2.8225524721686193
],
[
0.8084437214993556,
5.607597130264769,
2.36490566104357
],
[
... | [
[
7.796018012591633,
0,
-2.9802315463334135
],
[
-4.05552684452363,
6.869462421371307,
-2.454152594217036
],
[
0,
0,
8.34623729
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
27,
27,
27,
27,
27,
50
] | [
1,
1,
1
] | -0.27814 | 0 | 0 | 71 | 71 | [
"Co",
"Dy",
"Sn"
] |
mp-22287 | mp-22287 | NbGeIr | # generated using pymatgen
data_NbGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92851700
_cell_length_b 6.52249100
_cell_length_c 7.47706500
_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_NbGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92851700
_cell_length_b 6.52249100
_cell_length_c 7.47706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.94638775,
3.432773968318,
6.141743438715
],
[
0.9821292499999995,
6.350962531682,
2.4032109387150005
],
[
2.94638775,
0.17152846831799998,
5.073854061285
],
[
0.9821292499999997,
3.089717031682,
1.3353215612850002
],
[
0.9821292499999998,
1... | [
[
3.928517,
0,
2.405522884722981e-16
],
[
-3.9938738628087093e-16,
6.522491,
3.9938738628087093e-16
],
[
0,
0,
7.477065
]
] | [
41,
41,
41,
41,
32,
32,
32,
32,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.529377 | 0 | 0 | 62 | 62 | [
"Nb",
"Ge",
"Ir"
] |
mp-1223567 | mp-1223567 | KBa2(FeAs)6 | # generated using pymatgen
data_KBa2(FeAs)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48060788
_cell_length_b 7.10279964
_cell_length_c 8.78494229
_cell_angle_alpha 111.86043409
_cell_angle_beta 108.17569578
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_KBa2(FeAs)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.69322561
_cell_length_b 5.48060788
_cell_length_c 7.10279964
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.07284259
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0,
0,
0
],
[
1.7586549334280706,
0.0012742524443400678,
5.356618814102582
],
[
2.580202915349048,
6.533353667246431,
-0.9259590129557222
],
[
-0.0013438934573727307,
3.262066653625874,
4.387736515813669
],
[
1.7369964680295937,
3.272561266064... | [
[
5.207149963704643,
0,
-1.7095765527781546
],
[
-0.8682921149275242,
6.534627919690771,
-2.6447059345675283
],
[
0,
0,
8.784942288492543
]
] | [
19,
56,
56,
26,
26,
26,
26,
26,
26,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.452799 | 0 | 0.018688 | 12 | 12 | [
"As",
"Ba",
"Fe",
"K"
] |
mp-1215317 | mp-1215317 | ZrAlOs | # generated using pymatgen
data_ZrAlOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29765183
_cell_length_b 5.29765183
_cell_length_c 8.43653800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.28421330
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrAlOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35486400
_cell_length_b 9.14253199
_cell_length_c 8.43653800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6533208957353573,
1.5488086368989689,
6.732931008584001
],
[
-0.011544992680885062,
3.1096447828877434,
5.7311680499260005
],
[
-0.011544992680885062,
3.1096447828877434,
2.7053699500740005
],
[
2.6533208957353573,
1.5488086368989689,
1.703606991416000... | [
[
5.29765183,
0,
3.2438761783033094e-16
],
[
-2.59130481679154,
4.620633534308398,
3.2438761783033094e-16
],
[
0,
0,
8.436538
]
] | [
40,
40,
40,
40,
13,
13,
13,
13,
76,
76,
76,
76
] | [
1,
1,
1
] | -0.514974 | 0 | 0.023622 | 38 | 38 | [
"Al",
"Os",
"Zr"
] |
mp-1226665 | mp-1226665 | CeCuPt4 | # generated using pymatgen
data_CeCuPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37387589
_cell_length_b 5.37387589
_cell_length_c 4.35847200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999858
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeCuPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37387589
_cell_length_b 5.37387589
_cell_length_c 4.35847200
_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
],
[
4.358472000000001,
3.102608736077936,
-7.689404797146348e-8
],
[
4.358472000000001,
1.5513043680389675,
2.686937906552977
],
[
2.1792360000000017,
4.63601415431847,
-1.1489747054670324e-7
],
[
2.179236000000001,
2.335906026957668... | [
[
4.358472,
0,
2.6687943919866815e-16
],
[
1.7817826037947936e-15,
4.653913104116904,
-2.6869380603410713
],
[
0,
0,
5.37387589
]
] | [
58,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.634655 | 0 | 0.061169 | 187 | 187 | [
"Ce",
"Cu",
"Pt"
] |
mp-4609 | mp-4609 | HfSiO4 | # generated using pymatgen
data_HfSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56457889
_cell_length_b 5.56457889
_cell_length_c 5.56457889
_cell_angle_alpha 106.93889778
_cell_angle_beta 106.93889778
_cell_angle_gamma 114.66402757
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_HfSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62464600
_cell_length_b 6.62464600
_cell_length_c 6.00718600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.262082566197588,
1.1125106892241239,
1.1610399146434025
],
[
-0.8600827848485573,
3.337532067672372,
1.1610399149976611
],
[
1.2009998906745152,
2.2250213784482478,
-1.6212495301794685
],
[
2.1764753156014365,
2.211559999108635... | [
[
5.323165241720661,
0,
-1.6212495305337264
],
[
-2.9211654603716304,
4.4500427568964955,
-1.6212495298252108
],
[
0,
0,
5.564578890000001
]
] | [
72,
72,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.655535 | 5.3063 | 0 | 141 | 141 | [
"Hf",
"O",
"Si"
] |
mp-1224032 | mp-1224032 | In2CuTe3I | # generated using pymatgen
data_In2CuTe3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26692158
_cell_length_b 6.26348525
_cell_length_c 7.68949331
_cell_angle_alpha 66.03881510
_cell_angle_beta 66.06425601
_cell_angle_gamma 89.89421847
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_In2CuTe3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26348525
_cell_length_b 6.26692158
_cell_length_c 7.68949331
_cell_angle_alpha 113.93574399
_cell_angle_beta 113.96118490
_cell_angle_gamma 89.89421847
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.7540048681382857,
4.18865627375276,
6.241222028034072
],
[
0.007500779625471333,
0.10578030536892595,
0.18930977004733782
],
[
2.1608389213024313,
2.7027657343174614,
2.5059997969542476
],
[
3.3553728794328332,
0.9492643368308157,
3.9694694499905414
... | [
[
5.7237030534356865,
0,
2.5437120184994515
],
[
-1.117297987092213,
5.617946007165863,
2.542564445295049
],
[
0,
0,
7.68949331
]
] | [
49,
49,
29,
52,
52,
52,
53
] | [
1,
1,
1
] | -0.517183 | 1.0658 | 0.056871 | 1 | 1 | [
"Cu",
"I",
"In",
"Te"
] |
mp-1217321 | mp-1217321 | Th2FeSi3 | # generated using pymatgen
data_Th2FeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63727403
_cell_length_b 7.63727403
_cell_length_c 7.63727403
_cell_angle_alpha 149.13654219
_cell_angle_beta 148.57710018
_cell_angle_gamma 44.62376465
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Th2FeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06440400
_cell_length_b 4.13623800
_cell_length_c 14.13095799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.8692043938184346,
1.0013229797076595,
2.7568209881004697
],
[
3.5930613417655866,
3.952483319190406,
5.379094227553933
],
[
1.0527205292542334,
3.312920881752458,
3.8136276510894054
],
[
1.486065998501262,
1.6347205103395286,
5.383482343225735
],
[... | [
[
3.9178749113567455,
0,
-1.0814971280398804
],
[
-0.3091843306862749,
3.9696759858852753,
-1.1200635661247533
],
[
0,
0,
7.6372740299999995
]
] | [
90,
90,
26,
14,
14,
14
] | [
1,
1,
1
] | -0.637871 | 0 | 0.008167 | 44 | 44 | [
"Fe",
"Si",
"Th"
] |
mp-978560 | mp-978560 | SmZnAg2 | # generated using pymatgen
data_SmZnAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92329743
_cell_length_b 4.92329743
_cell_length_c 4.92329743
_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_SmZnAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96259400
_cell_length_b 6.96259400
_cell_length_c 6.96259400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8424670965110916,
2.0099277592426312,
4.923297429999999
],
[
0,
0,
0
],
[
1.4212335482555463,
1.0049638796213152,
2.461648715
],
[
4.263700644766638,
3.014891638863946,
7.384946144999999
]
] | [
[
4.263700644766639,
0,
2.4616487149999995
],
[
1.4212335482555454,
4.019855518485261,
2.461648715
],
[
0,
0,
4.923297429999999
]
] | [
62,
30,
47,
47
] | [
1,
1,
1
] | -0.223789 | 0 | 0.060612 | 225 | 225 | [
"Ag",
"Sm",
"Zn"
] |
mp-865179 | mp-865179 | Hf2FeOs | # generated using pymatgen
data_Hf2FeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53898348
_cell_length_b 4.53898348
_cell_length_c 4.53898348
_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_Hf2FeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41909200
_cell_length_b 6.41909200
_cell_length_c 6.41909200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3102916670126319,
0.9265161230768576,
2.26949174
],
[
3.9308750010378963,
2.779548369230573,
6.80847522
],
[
0,
0,
0
],
[
2.6205833340252647,
1.8530322461537148,
4.53898348
]
] | [
[
3.930875001037896,
0,
2.2694917400000003
],
[
1.3102916670126319,
3.7060644923074304,
2.26949174
],
[
0,
0,
4.538983479999999
]
] | [
72,
72,
26,
76
] | [
1,
1,
1
] | -0.523394 | 0 | 0 | 225 | 225 | [
"Hf",
"Fe",
"Os"
] |
mp-1113722 | mp-1113722 | Rb2AgSbBr6 | # generated using pymatgen
data_Rb2AgSbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99775812
_cell_length_b 7.99775812
_cell_length_c 7.99775812
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2AgSbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.31053800
_cell_length_b 11.31053800
_cell_length_c 11.31053800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.3087539017477576,
1.6325355400167385,
3.9988790599999993
],
[
6.926261705243274,
4.897606620050217,
11.996637179999999
],
[
4.617507803495515,
3.2650710800334783,
7.99775812
],
[
0,
0,
0
],
[
3.458864275411206,
4.90364047140612,
5.99092... | [
[
6.926261705243274,
0,
3.9988790599999993
],
[
2.3087539017477576,
6.530142160066957,
3.9988790600000006
],
[
0,
0,
7.997758119999999
]
] | [
37,
37,
47,
51,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.367321 | 1.1771 | 0.020614 | 225 | 225 | [
"Ag",
"Br",
"Rb",
"Sb"
] |
mp-1101014 | mp-1101014 | Tl2Fe3Se4 | # generated using pymatgen
data_Tl2Fe3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53704100
_cell_length_b 7.62205807
_cell_length_c 10.84683565
_cell_angle_alpha 69.70276972
_cell_angle_beta 89.48891368
_cell_angle_gamma 89.59965098
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Tl2Fe3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53704100
_cell_length_b 7.62205807
_cell_length_c 10.84683565
_cell_angle_alpha 69.70276972
_cell_angle_beta 89.48891368
_cell_angle_gamma 89.59965098
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.06109989811678252,
5.352975610516683,
10.07420189590912
],
[
2.783247598975406,
3.5743550777151554,
1.3467043148453444
],
[
5.505395299834029,
1.7957345449136277,
3.466042383781568
],
[
2.7684103566917857,
0,
5.448113085312684
],
[
1.3856448227... | [
[
5.536820713383571,
0,
0.04939052062536862
],
[
0.029674484567240096,
7.148710155430311,
2.6440181090653203
],
[
0,
0,
10.84683565
]
] | [
81,
81,
81,
81,
26,
26,
26,
26,
26,
26,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.430755 | 0 | 0.067119 | 2 | 2 | [
"Fe",
"Se",
"Tl"
] |
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