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-1216535 | mp-1216535 | TmCuGe | # generated using pymatgen
data_TmCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20609465
_cell_length_b 4.20609465
_cell_length_c 3.61210600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001015
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20609465
_cell_length_b 4.20609465
_cell_length_c 3.61210600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.648628263191344e-16,
1.2141948150216648,
2.103047540095738
],
[
1.806053,
0,
1.1058885127702374e-16
],
[
1.8060530000000008,
2.4283896300433296,
4.301914767337675e-7
]
] | [
[
3.612106,
0,
2.2117770255404747e-16
],
[
1.3945884789574029e-15,
3.642584445064994,
-2.1030466797127847
],
[
0,
0,
4.20609465
]
] | [
69,
29,
32
] | [
1,
1,
1
] | -0.626978 | 0 | 0.039323 | 187 | 187 | [
"Cu",
"Ge",
"Tm"
] |
mp-570091 | mp-570091 | Rb(CoSe)2 | # generated using pymatgen
data_Rb(CoSe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50594881
_cell_length_b 7.50594881
_cell_length_c 7.50594881
_cell_angle_alpha 149.74652596
_cell_angle_beta 149.74652596
_cell_angle_gamma 43.31360266
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Rb(CoSe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91743000
_cell_length_b 3.91743000
_cell_length_c 13.95222400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.7671855470838054,
0.9428961584057562,
2.7307013923694132
],
[
0.7381670050330968,
2.8286884752172696,
2.730701392183894
],
[
1.2061392328951444,
1.2977456986601785,
4.461871173411875
],
[
2.2992133192217583,
2.473838934962847,
... | [
[
3.78169481810916,
0,
-1.0222730125378268
],
[
-0.27634226599225736,
3.771584633623026,
-1.0222730129088649
],
[
0,
0,
7.50594881
]
] | [
37,
27,
27,
34,
34
] | [
1,
1,
1
] | -0.656367 | 0 | 0.022471 | 139 | 139 | [
"Rb",
"Co",
"Se"
] |
mp-9341 | mp-9341 | GdAgGe | # generated using pymatgen
data_GdAgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24337323
_cell_length_b 7.24337323
_cell_length_c 4.26937000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999294
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdAgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24337323
_cell_length_b 7.24337323
_cell_length_c 4.26937000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.26937,
2.9995424180565163e-16,
3.00950568309332
],
[
4.269370000000001,
2.6063085598084483,
-1.5047531626966286
],
[
1.4037972080117208e-15,
3.6666371127287585,
2.116933321649431
],
[
2.1346850000000006,
1.569967751139922,
0.9064210458039359
],
[
... | [
[
4.26937,
0,
2.614235152437868e-16
],
[
2.4016403451945217e-15,
6.272945672537208,
-3.621687387953879
],
[
0,
0,
7.24337323
]
] | [
64,
64,
64,
47,
47,
47,
32,
32,
32
] | [
1,
1,
1
] | -0.649708 | 0 | 0 | 189 | 189 | [
"Ag",
"Gd",
"Ge"
] |
mp-1080709 | mp-1080709 | NdAu | # generated using pymatgen
data_NdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79323600
_cell_length_b 5.85846100
_cell_length_c 7.57531800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd... | # generated using pymatgen
data_NdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79323600
_cell_length_b 5.85846100
_cell_length_c 7.57531800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd... | [
[
1.1983089999999998,
2.054005718905,
5.215856428494
],
[
1.198309,
0.875224781095,
1.4281974284940002
],
[
3.5949269999999998,
3.8044552810949996,
2.3594615715060003
],
[
3.5949269999999998,
4.983236218905001,
6.147120571506001
],
[
1.198308999999... | [
[
4.793236,
0,
2.9350105624789314e-16
],
[
-3.5872727557898013e-16,
5.858461,
3.5872727557898013e-16
],
[
0,
0,
7.575318
]
] | [
60,
60,
60,
60,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.808296 | 0 | 0 | 62 | 62 | [
"Au",
"Nd"
] |
mp-1103722 | mp-1103722 | Al2PbS4 | # generated using pymatgen
data_Al2PbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06287330
_cell_length_b 6.06287330
_cell_length_c 10.61406600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.06569411
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Al2PbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96495200
_cell_length_b 10.55713400
_cell_length_c 10.61406600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.006794080326527952,
2.5255092665032297,
5.3070330000000006
],
[
2.989270079680353,
2.7530577327051047,
5.307033000000001
],
[
0.006794080326527951,
2.5255092665032297,
10.614066
],
[
2.9756819190272963,
2.7530577327051047,
10.614066000000001
],
[
... | [
[
5.964951998707649,
0,
1.6897333785640625e-15
],
[
-2.9824759993538246,
5.278566999208335,
3.712439190240475e-16
],
[
0,
0,
10.614066
]
] | [
13,
13,
13,
13,
82,
82,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.234072 | 2.654 | 0 | 66 | 66 | [
"Al",
"Pb",
"S"
] |
mp-862923 | mp-862923 | PmInAg2 | # generated using pymatgen
data_PmInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03579105
_cell_length_b 5.03579105
_cell_length_c 5.03579105
_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_PmInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12168400
_cell_length_b 7.12168400
_cell_length_c 7.12168400
_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
],
[
2.9074153183002087,
2.0558530872957217,
5.03579105
],
[
4.361122977450313,
3.0837796309435817,
7.553686575
],
[
1.4537076591501041,
1.0279265436478606,
2.517895525
]
] | [
[
4.361122977450313,
0,
2.5178955249999997
],
[
1.4537076591501041,
4.1117061745914425,
2.517895525
],
[
0,
0,
5.03579105
]
] | [
61,
49,
47,
47
] | [
1,
1,
1
] | -0.372332 | 0 | 0 | 225 | 225 | [
"Pm",
"In",
"Ag"
] |
mp-862958 | mp-862958 | PmRh2Pb | # generated using pymatgen
data_PmRh2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84445785
_cell_length_b 4.84445785
_cell_length_c 4.84445785
_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_PmRh2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85109799
_cell_length_b 6.85109799
_cell_length_c 6.85109799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
4.195423565662944,
2.9666124532301117,
7.266686775
],
[
1.398474521887648,
0.9888708177433706,
2.4222289249999998
],
[
2.7969490437752955,
1.9777416354867408,
4.8444578499999995
]
] | [
[
4.195423565662944,
0,
2.4222289249999998
],
[
1.3984745218876478,
3.9554832709734824,
2.422228925
],
[
0,
0,
4.84445785
]
] | [
61,
45,
45,
82
] | [
1,
1,
1
] | -0.472763 | 0 | 0 | 225 | 225 | [
"Pb",
"Pm",
"Rh"
] |
mp-1222747 | mp-1222747 | LaTa2AgO7 | # generated using pymatgen
data_LaTa2AgO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.28787863
_cell_length_b 11.28787863
_cell_length_c 11.28787863
_cell_angle_alpha 160.05255551
_cell_angle_beta 160.05255551
_cell_angle_gamma 28.35620127
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_LaTa2AgO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91004200
_cell_length_b 3.91004200
_cell_length_c 21.88807801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.2548353670148256,
2.3256777447440427,
1.5343133578334271
],
[
1.4770259118323767,
1.5234310858386715,
8.39915414205712
],
[
0.8734206234785983,
2.886831622937037,
4.966733749977969
],
[
1.4895658480613867,
3.5223348873015645,
... | [
[
3.850950671313607,
0,
-0.6772055651201169
],
[
-0.11908939246640447,
3.8491088305827157,
-0.6772055649893355
],
[
0,
0,
11.28787863
]
] | [
57,
73,
73,
47,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.088306 | 1.5736 | 0.052472 | 119 | 119 | [
"Ag",
"La",
"O",
"Ta"
] |
mp-1188286 | mp-1188286 | Tb2Ge5Rh3 | # generated using pymatgen
data_Tb2Ge5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38087769
_cell_length_b 8.38087769
_cell_length_c 5.95648042
_cell_angle_alpha 70.37436257
_cell_angle_beta 70.37436257
_cell_angle_gamma 92.50723675
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Tb2Ge5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.59020800
_cell_length_b 12.10882000
_cell_length_c 5.95648042
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.06093576
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
-0.5421618331305674,
4.605472998724097,
6.567954813300267
],
[
1.0781064618521443,
1.047351452964778,
2.829619517118901
],
[
3.0333567822746756,
3.1646576690067643,
-0.5543247575448165
],
[
1.4130884872919662,
6.722779214766082,
3.184010538636548
],
... | [
[
5.610452140573286,
0,
-2.0006213465271276
],
[
-3.1192571914291767,
7.770130667730861,
-0.36662628771742317
],
[
0,
0,
8.38087769
]
] | [
65,
65,
65,
65,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.791948 | 0 | 0 | 15 | 15 | [
"Ge",
"Rh",
"Tb"
] |
mp-20619 | mp-20619 | SbRh | # generated using pymatgen
data_SbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91651600
_cell_length_b 6.05694900
_cell_length_c 6.42334900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb... | # generated using pymatgen
data_SbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91651600
_cell_length_b 6.05694900
_cell_length_c 6.42334900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb... | [
[
2.9373869999999997,
4.866286079478,
3.7996357507150007
],
[
0.9791289999999999,
1.190662920522,
2.623713249285
],
[
2.937387,
1.8378115794780003,
5.835387749285
],
[
0.9791289999999998,
4.219137420522,
0.5879612507150004
],
[
2.9373869999999997,
... | [
[
3.916516,
0,
2.3981743916046976e-16
],
[
-3.708811602724381e-16,
6.056949,
3.708811602724381e-16
],
[
0,
0,
6.423349
]
] | [
51,
51,
51,
51,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.592084 | 0 | 0 | 62 | 62 | [
"Sb",
"Rh"
] |
mp-1187610 | mp-1187610 | TmMg3 | # generated using pymatgen
data_TmMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15250610
_cell_length_b 5.15250610
_cell_length_c 5.15250610
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TmMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28674401
_cell_length_b 7.28674401
_cell_length_c 7.28674401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
4.462201175754283,
3.155252710394439,
7.728759150000001
],
[
2.974800783836189,
2.1035018069296263,
5.1525061
],
[
1.4874003919180943,
1.0517509034648123,
2.57625305
]
] | [
[
4.462201175754283,
0,
2.576253050000001
],
[
1.4874003919180947,
4.207003613859253,
2.5762530500000005
],
[
0,
0,
5.1525061
]
] | [
69,
12,
12,
12
] | [
1,
1,
1
] | -0.044787 | 0 | 0 | 225 | 225 | [
"Mg",
"Tm"
] |
mp-1183846 | mp-1183846 | DyLu3 | # generated using pymatgen
data_DyLu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07629591
_cell_length_b 7.07629591
_cell_length_c 5.53190000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999918
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyLu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07629591
_cell_length_b 7.07629591
_cell_length_c 5.53190000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3829750000000023,
4.0855013822618895,
-5.8470469782140245e-8
],
[
4.148925000000001,
2.0427506911309448,
3.5381479257647657
],
[
4.148925000000002,
5.1111338202676775,
-1.7764475509872328
],
[
4.148925000000001,
2.0342365062503105,
-2.911338245573864e-... | [
[
5.5319,
0,
3.3873118141016215e-16
],
[
2.346243406732598e-15,
6.128252073392833,
-3.538148042705704
],
[
0,
0,
7.07629591
]
] | [
66,
66,
71,
71,
71,
71,
71,
71
] | [
1,
1,
1
] | 0.002679 | 0 | 0.002679 | 194 | 194 | [
"Dy",
"Lu"
] |
mp-1095270 | mp-1095270 | Na5NpO6 | # generated using pymatgen
data_Na5NpO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84723020
_cell_length_b 5.84723020
_cell_length_c 5.81978759
_cell_angle_alpha 79.90169719
_cell_angle_beta 79.90169719
_cell_angle_gamma 119.68819627
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na5NpO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87476600
_cell_length_b 10.11175200
_cell_length_c 5.81978759
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.42808673
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.0384314455847121,
3.2244679511203325,
0.016508968499203646
],
[
-0.5187104302536464,
1.6106649749256643,
2.9347067671431857
],
[
2.0862438712251197,
2.4175664630229985,
0.9653941797580319
],
[
1.57288533759873,
4.0116130860818435,
-1.917078721187385
... | [
[
5.729629618288598,
0,
-1.0204273761263256
],
[
-1.5571418758383588,
4.835132926045997,
-2.8960144643576102
],
[
0,
0,
5.847230199999999
]
] | [
11,
11,
11,
11,
11,
93,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.456082 | 1.3882 | 0 | 12 | 12 | [
"Na",
"Np",
"O"
] |
mp-510278 | mp-510278 | GdTiO3 | # generated using pymatgen
data_GdTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41192900
_cell_length_b 5.70620300
_cell_length_c 7.74671900
_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_GdTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41192900
_cell_length_b 5.70620300
_cell_length_c 7.74671900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.312593043205,
0.39439563275100004,
1.9366797500000004
],
[
2.606628543205,
2.4587058672490003,
5.81003925
],
[
2.805300456795,
3.247497132751,
1.9366797500000004
],
[
0.09933595679499968,
5.311807367249,
5.81003925
],
[
-1.7470208098087562e-16,... | [
[
5.411929,
0,
3.313850763531368e-16
],
[
-3.4940416196175124e-16,
5.706203,
3.4940416196175124e-16
],
[
0,
0,
7.746719
]
] | [
64,
64,
64,
64,
22,
22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.617603 | 0 | 0.02669 | 62 | 62 | [
"Gd",
"O",
"Ti"
] |
mp-1188203 | mp-1188203 | Rb2V(OF2)2 | # generated using pymatgen
data_Rb2V(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11951858
_cell_length_b 6.11951858
_cell_length_c 9.29606200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 88.47219637
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2V(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.53815600
_cell_length_b 8.76891800
_cell_length_c 9.29606200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.4757476811420676,
1.515632931117446,
4.648031
],
[
1.4757476811420676,
1.515632931117446,
1.8567750929253837e-16
],
[
4.480612026405832,
4.601710187696913,
4.648031
],
[
4.480612026405832,
4.601710187696913,
9.296062
],
[
1.430435980684922,
... | [
[
6.11951858,
0,
3.7471244206598784e-16
],
[
-0.163158872452101,
6.117343118814358,
3.7471244206598784e-16
],
[
0,
0,
9.296062
]
] | [
37,
37,
37,
37,
23,
23,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.56245 | 0.8277 | 0.077503 | 63 | 63 | [
"F",
"O",
"Rb",
"V"
] |
mp-1185542 | mp-1185542 | CsK2Rb | # generated using pymatgen
data_CsK2Rb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90253912
_cell_length_b 7.90253912
_cell_length_c 7.90253912
_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_CsK2Rb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.17587800
_cell_length_b 11.17587800
_cell_length_c 11.17587800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.562533088213548,
3.226198086063801,
7.90253912
],
[
6.843799632320321,
4.8392971290957005,
11.853808679999998
],
[
2.2812665441067743,
1.6130990430319008,
3.951269560000001
],
[
0,
0,
0
]
] | [
[
6.843799632320323,
0,
3.951269559999999
],
[
2.2812665441067725,
6.4523961721276,
3.9512695600000005
],
[
0,
0,
7.902539119999999
]
] | [
55,
19,
19,
37
] | [
1,
1,
1
] | 0.026774 | 0 | 0.026774 | 225 | 225 | [
"Cs",
"K",
"Rb"
] |
mp-1219889 | mp-1219889 | Pr2Ho | # generated using pymatgen
data_Pr2Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65135459
_cell_length_b 3.65135459
_cell_length_c 35.59005700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001064
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr2Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65135459
_cell_length_b 3.65135459
_cell_length_c 35.59005700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8256770013881005,
1.054055334227268,
11.866863885624
],
[
1.8256770013881005,
1.054055334227268,
23.723193114376002
],
[
0,
0,
2.9592064693789992
],
[
0,
0,
14.917287671094002
],
[
0,
0,
26.786037829739
],
[
0,
0,
32.630... | [
[
3.6513540027762,
0,
1.0343444065905605e-15
],
[
-1.8256770013880994,
3.162166002681805,
2.235809855597748e-16
],
[
0,
0,
35.590057
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
67,
67,
67,
67
] | [
1,
1,
1
] | 0.004177 | 0 | 0.004177 | 187 | 187 | [
"Ho",
"Pr"
] |
mp-38494 | mp-38494 | Y4AsSe3 | # generated using pymatgen
data_Y4AsSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10247730
_cell_length_b 7.10247730
_cell_length_c 7.10247730
_cell_angle_alpha 131.86683372
_cell_angle_beta 131.86683372
_cell_angle_gamma 70.43943002
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Y4AsSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79275200
_cell_length_b 5.79275200
_cell_length_c 11.60468800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0309624423309176,
1.261970565995386,
2.308356418928487
],
[
3.2031956126408776,
3.920936800703394,
0.06957557983689525
],
[
2.644600333119218,
9.40670748233186e-17,
-1.181136325077505
],
[
4.7616793606051155,
2.59145368334939,
3.559068324305186
],
... | [
[
5.289200666238436,
0,
-2.3622726501550106
],
[
-1.0550426112666411,
5.18290736669878,
-2.3622726510796084
],
[
0,
0,
7.102477300000001
]
] | [
39,
39,
39,
39,
33,
34,
34,
34
] | [
1,
1,
1
] | -1.927571 | 0 | 0 | 139 | 139 | [
"As",
"Se",
"Y"
] |
mp-1222924 | mp-1222924 | LaCeOs4 | # generated using pymatgen
data_LaCeOs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43993652
_cell_length_b 5.43993652
_cell_length_c 5.43993652
_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_LaCeOs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69323201
_cell_length_b 7.69323201
_cell_length_c 7.69323201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
4.711123221294713,
3.3312671767829043,
8.159904779999998
],
[
3.14075195494529,
3.8834091654211793,
5.43993652
],
[
2.3570110662251076,
1.6666551769923326,
4.0824574807674585
],
[
2.357011066225109,
1.6666551769923326,
6.7974... | [
[
4.711123221294714,
0,
2.7199682599999995
],
[
1.570374407098237,
4.441689569043873,
2.7199682599999995
],
[
0,
0,
5.43993652
]
] | [
57,
58,
76,
76,
76,
76
] | [
1,
1,
1
] | -0.144707 | 0 | 0.012938 | 216 | 216 | [
"Ce",
"La",
"Os"
] |
mp-1216755 | mp-1216755 | U2CoSi3 | # generated using pymatgen
data_U2CoSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72555900
_cell_length_b 4.02462400
_cell_length_c 6.89314300
_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_U2CoSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72555900
_cell_length_b 4.02462400
_cell_length_c 6.89314300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2321857248429045e-16,
2.012312,
0.06677387624100012
],
[
0,
0,
3.401035397342
],
[
1.8627794999999998,
2.012312,
2.2705392659130004
],
[
1.8627795,
0,
5.749039804289
],
[
1.8627795,
0,
1.1879297989050002
],
[
1.8627794999999998... | [
[
3.725559,
0,
2.281246952192307e-16
],
[
-2.464371449685809e-16,
4.024624,
2.464371449685809e-16
],
[
0,
0,
6.893143
]
] | [
92,
92,
27,
14,
14,
14
] | [
1,
1,
1
] | -0.369686 | 0 | 0.05749 | 25 | 25 | [
"Co",
"Si",
"U"
] |
mp-1147705 | mp-1147705 | RbInH3 | # generated using pymatgen
data_RbInH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25746226
_cell_length_b 6.25746226
_cell_length_c 6.25746226
_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_RbInH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84938799
_cell_length_b 8.84938799
_cell_length_c 8.84938799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.419121280382385,
3.8318974054307096,
9.38619339
],
[
1.806373760127462,
1.277299135143571,
3.128731130000001
],
[
0,
0,
0
],
[
3.6127475202549233,
2.5545982702871397,
6.2574622600000005
],
[
4.605682274216828,
1.150376474682624,
7.97727... | [
[
5.419121280382386,
0,
3.128731130000001
],
[
1.80637376012746,
5.109196540574279,
3.1287311300000016
],
[
0,
0,
6.257462259999999
]
] | [
37,
37,
49,
49,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.049642 | 0 | 0.049503 | 225 | 225 | [
"H",
"In",
"Rb"
] |
mp-1214296 | mp-1214296 | BaTi(PO4)2 | # generated using pymatgen
data_BaTi(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91572020
_cell_length_b 4.91572020
_cell_length_c 7.84115487
_cell_angle_alpha 86.50878802
_cell_angle_beta 86.50878802
_cell_angle_gamma 64.64427924
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaTi(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30811073
_cell_length_b 5.25666400
_cell_length_c 7.84115487
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.13236713
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
3.920577435
],
[
0,
0,
0
],
[
4.431738224293707,
2.811334845655136,
1.991734900159294
],
[
2.565603235656632,
1.6275261334228663,
6.448109908166968
],
[
4.802821236597794,
3.0467365210976003,
3.4558597496909926
],
[
2.194520... | [
[
4.90659736213649,
0,
0.29934496916313064
],
[
2.0907440978138494,
4.438860979078002,
0.29934496916313064
],
[
0,
0,
7.84115487
]
] | [
56,
22,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.19076 | 2.5924 | 0 | 12 | 12 | [
"Ba",
"O",
"P",
"Ti"
] |
mp-1184056 | mp-1184056 | Eu2InHg | # generated using pymatgen
data_Eu2InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62041987
_cell_length_b 5.62041987
_cell_length_c 5.62041987
_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_Eu2InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94847401
_cell_length_b 7.94847401
_cell_length_c 7.94847401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.867426387354833,
3.441790205424941,
8.430629804999999
],
[
1.6224754624516107,
1.1472634018083137,
2.810209935
],
[
0,
0,
0
],
[
3.244950924903222,
2.294526803616627,
5.620419869999999
]
] | [
[
4.867426387354833,
0,
2.8102099349999996
],
[
1.6224754624516098,
4.589053607233255,
2.810209934999999
],
[
0,
0,
5.620419869999999
]
] | [
63,
63,
49,
80
] | [
1,
1,
1
] | -0.491957 | 0 | 0.007584 | 225 | 225 | [
"Eu",
"Hg",
"In"
] |
mp-1216105 | mp-1216105 | YGa3NiGe | # generated using pymatgen
data_YGa3NiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.41984730
_cell_length_b 12.41984730
_cell_length_c 12.41984730
_cell_angle_alpha 160.49595553
_cell_angle_beta 160.49595553
_cell_angle_gamma 27.71944080
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_YGa3NiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20745400
_cell_length_b 4.20745400
_cell_length_c 24.11648999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.4077802530166537,
3.5099726697960727,
7.408072595070392
],
[
0.5781606235403277,
0.5954984877861162,
3.3639852569406696
],
[
3.034988363135901,
0.9904982816744812,
5.239010276444472
],
[
0.9004169803289013,
3.062921884694264,
5.239010276324838
],
[... | [
[
4.146656630942781,
0,
-0.7126766022473225
],
[
-0.1224861346712198,
4.144847206039565,
-0.7126766024865914
],
[
0,
0,
12.419847300000002
]
] | [
39,
39,
31,
31,
31,
31,
31,
31,
28,
28,
32,
32
] | [
1,
1,
1
] | -0.519653 | 0 | 0.009122 | 107 | 107 | [
"Ga",
"Ge",
"Ni",
"Y"
] |
mp-3163 | mp-3163 | BaSnO3 | # generated using pymatgen
data_BaSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18863400
_cell_length_b 4.18863400
_cell_length_c 4.18863400
_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_BaSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18863400
_cell_length_b 4.18863400
_cell_length_c 4.18863400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.094317,
2.094317,
2.0943170000000007
],
[
0,
0,
0
],
[
-1.2823993052249438e-16,
2.094317,
1.2823993052249438e-16
],
[
0,
0,
2.094317
],
[
2.094317,
0,
1.2823993052249438e-16
]
] | [
[
4.188634,
0,
2.5647986104498876e-16
],
[
-2.5647986104498876e-16,
4.188634,
2.5647986104498876e-16
],
[
0,
0,
4.188634
]
] | [
56,
50,
8,
8,
8
] | [
1,
1,
1
] | -2.587469 | 0.3949 | 0 | 221 | 221 | [
"Ba",
"Sn",
"O"
] |
mp-1078168 | mp-1078168 | In2CuSe4 | # generated using pymatgen
data_In2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07766045
_cell_length_b 7.07766045
_cell_length_c 7.07766045
_cell_angle_alpha 132.10044847
_cell_angle_beta 132.10044847
_cell_angle_gamma 70.07042565
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_In2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74615000
_cell_length_b 5.74615000
_cell_length_c 11.59036799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.1076695259442526,
2.5740976048907096,
-2.3325673799801447
],
[
3.6795427247130195,
1.2870488024453548,
1.2062628449947312
],
[
0,
0,
0
],
[
3.128530308569088,
0.405085740081651,
3.6356164291078685
],
[
-0.004694289420385672,
3.4100563948598... | [
[
5.251415923481787,
0,
-2.332567380030393
],
[
-1.0360768715932822,
5.148195209781421,
-2.332567379929897
],
[
0,
0,
7.07766045
]
] | [
49,
49,
29,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.648575 | 0 | 0.044807 | 82 | 82 | [
"Cu",
"In",
"Se"
] |
mp-9744 | mp-9744 | BaAsPd | # generated using pymatgen
data_BaAsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39418539
_cell_length_b 4.39418539
_cell_length_c 4.83020700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999081
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaAsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39418539
_cell_length_b 4.39418539
_cell_length_c 4.83020700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.487591272393696e-15,
2.5369840003174966,
2.4151035000000003
],
[
2.197093000191112,
1.2684920001587485,
2.4151035000000007
]
] | [
[
4.394186000382223,
0,
1.244771585433284e-15
],
[
-2.1970930001911095,
3.8054760004762453,
2.6906625363617816e-16
],
[
0,
0,
4.830207
]
] | [
56,
33,
46
] | [
1,
1,
1
] | -0.930454 | 0 | 0 | 187 | 187 | [
"Ba",
"As",
"Pd"
] |
mp-18720 | mp-18720 | Mn2CdO4 | # generated using pymatgen
data_Mn2CdO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92959148
_cell_length_b 5.92958934
_cell_length_c 6.51819215
_cell_angle_alpha 62.87966949
_cell_angle_beta 62.87965761
_cell_angle_gamma 89.87017386
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn2CdO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92959041
_cell_length_b 5.92959041
_cell_length_c 9.97365525
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.6941913024546229,
2.5483974702630294,
-1.346765117880591
],
[
-1.3883784397697616,
5.096779650171819,
0.5625344921948244
],
[
2.64132468760634,
0,
1.9094441186093278
],
[
5.282596549035884,
0,
3.8188565607568576
],
[
1.1132403429836313,
3.... | [
[
5.282617679506603,
0,
-2.6933261168772074
],
[
-1.3883798281495898,
5.0967847469565655,
-2.6935508974251507
],
[
0,
0,
6.512191440903919
]
] | [
25,
25,
25,
25,
48,
48,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.867667 | 0 | 0 | 141 | 141 | [
"Cd",
"Mn",
"O"
] |
mp-979980 | mp-979980 | VPd3 | # generated using pymatgen
data_VPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52677117
_cell_length_b 5.52677117
_cell_length_c 4.48802300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999012
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52677117
_cell_length_b 5.52677117
_cell_length_c 4.48802300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
1.1220057500000014,
3.1908831404250138,
-5.502311699143498e-7
],
[
3.3660172500000005,
1.5954415702125069,
2.763385309884416
],
[
3.3660172500000014,
3.9752197661987543,
-1.358505909537283
],
[
3.3660172500000005,
1.6222146752022426,
0.000002483653285861... | [
[
4.488023,
0,
2.748121500724851e-16
],
[
1.8324772970047396e-15,
4.78632471063752,
-2.7633864103467545
],
[
0,
0,
5.52677117
]
] | [
23,
23,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.251432 | 0 | 0 | 194 | 194 | [
"Pd",
"V"
] |
mp-1217528 | mp-1217528 | TbGaAg | # generated using pymatgen
data_TbGaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72594995
_cell_length_b 5.72594995
_cell_length_c 7.23778234
_cell_angle_alpha 52.03278156
_cell_angle_beta 52.03278156
_cell_angle_gamma 47.41987104
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbGaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.48527800
_cell_length_b 4.60488400
_cell_length_c 7.23778234
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.21587688
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5020338555745125,
4.079075835488726,
3.518974267720404
],
[
2.7013069164655197,
1.1504817507399667,
5.387851527951065
],
[
2.2429370326006617,
4.1621944237642445,
6.457675722554565
],
[
3.9604037394393705,
1.06736316246445,
2.449150073116904
],
[
... | [
[
4.232737003381514,
0,
1.8135308384846713
],
[
1.9706037686585178,
5.229557586228693,
1.2469767717049833
],
[
0,
0,
5.846318185481814
]
] | [
65,
65,
31,
31,
47,
47
] | [
1,
1,
1
] | -0.484346 | 0 | 0.003313 | 12 | 12 | [
"Ag",
"Ga",
"Tb"
] |
mp-1208327 | mp-1208327 | TbAl3Ni2 | # generated using pymatgen
data_TbAl3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05939816
_cell_length_b 9.05939816
_cell_length_c 4.06054200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000120
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TbAl3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05939816
_cell_length_b 9.05939816
_cell_length_c 4.06054200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.030271000000002,
5.230445903125471,
1.0954620245992775e-7
],
[
2.030271000000001,
2.6152229515627363,
4.529699134773102
],
[
0,
0,
0
],
[
4.060542000000002,
3.9228344273441027,
2.2648496221596526
],
[
7.844144126031505e-32,
1.55540381080137... | [
[
4.060542,
0,
2.4863648815516957e-16
],
[
3.003768219920531e-15,
7.845668854688205,
-4.529698915680696
],
[
0,
0,
9.05939816
]
] | [
65,
65,
65,
13,
13,
13,
13,
13,
13,
13,
13,
13,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.65579 | 0 | 0 | 191 | 191 | [
"Al",
"Ni",
"Tb"
] |
mp-1080170 | mp-1080170 | MoW(SeS)2 | # generated using pymatgen
data_MoW(SeS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25557865
_cell_length_b 3.25557865
_cell_length_c 36.33134500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001316
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_MoW(SeS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25557865
_cell_length_b 3.25557865
_cell_length_c 36.33134500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.6277890012109937,
0.9398046672859643,
10.239517280765
],
[
2.8228489920423235e-16,
1.8796093345719287,
26.091827719235
],
[
1.6277890012109937,
0.9398046672859643,
32.919068746255
],
[
2.8228489920423235e-16,
1.8796093345719287,
3.4122762537449973
],... | [
[
3.2555780024219874,
0,
9.222301903524439e-16
],
[
-1.6277890012109937,
2.819414001857893,
1.9934669865474808e-16
],
[
0,
0,
36.331345
]
] | [
42,
42,
74,
74,
34,
34,
34,
34,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.056276 | 1.0189 | 0.059701 | 164 | 164 | [
"Mo",
"S",
"Se",
"W"
] |
mp-1183559 | mp-1183559 | CaLuHg2 | # generated using pymatgen
data_CaLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23719486
_cell_length_b 5.23719486
_cell_length_c 5.23719486
_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_CaLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40651200
_cell_length_b 7.40651200
_cell_length_c 7.40651200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0236958622195242,
2.1380758484211304,
5.237194860000001
],
[
0,
0,
0
],
[
4.535543793329286,
3.2071137726316956,
7.85579229
],
[
1.5118479311097621,
1.0690379242105652,
2.618597430000001
]
] | [
[
4.535543793329287,
0,
2.61859743
],
[
1.5118479311097612,
4.276151696842261,
2.6185974300000003
],
[
0,
0,
5.23719486
]
] | [
20,
71,
80,
80
] | [
1,
1,
1
] | -0.502989 | 0 | 0.008972 | 225 | 225 | [
"Ca",
"Hg",
"Lu"
] |
mp-4483 | mp-4483 | AgAsSe2 | # generated using pymatgen
data_AgAsSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95631213
_cell_length_b 6.95631213
_cell_length_c 6.95631192
_cell_angle_alpha 32.77650276
_cell_angle_beta 32.77650276
_cell_angle_gamma 32.77650467
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AgAsSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92537386
_cell_length_b 3.92537386
_cell_length_c 19.73035272
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.742990918660627,
1.6750556375395569,
4.5856793196447105
],
[
0,
0,
0
],
[
4.088899758701674,
2.4969585373223673,
6.96552071795294
],
[
1.3970820786195797,
0.8531527377567474,
2.205837921336481
]
] | [
[
3.765893098090043,
0,
1.1075233596447103
],
[
1.7200887392312108,
3.3501112750791138,
1.1075233596447103
],
[
0,
0,
6.95631192
]
] | [
47,
33,
34,
34
] | [
1,
1,
1
] | -0.298321 | 0 | 0.048831 | 166 | 166 | [
"Ag",
"As",
"Se"
] |
mp-1227759 | mp-1227759 | Ca3NdMn4O12 | # generated using pymatgen
data_Ca3NdMn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68983400
_cell_length_b 5.38744600
_cell_length_c 5.44207013
_cell_angle_alpha 89.73518058
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ca3NdMn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38744600
_cell_length_b 7.68983400
_cell_length_c 5.44207013
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.26481942
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.03712996584366609,
0.23305416397200787,
3.844917
],
[
2.7401159725501985,
2.49592982646318,
3.1991058052131833e-16
],
[
5.375490349670445,
5.235716210721703,
7.689834000000001
],
[
2.6555995779031,
2.9520847144561198,
3.8449170000000006
],
[
5.... | [
[
5.387446000000001,
0,
3.298859249739606e-16
],
[
0.025152999688641743,
5.442012001681444,
3.33230688271996e-16
],
[
0,
0,
7.689834
]
] | [
20,
20,
20,
60,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.632763 | 0 | 0.011488 | 6 | 6 | [
"Ca",
"Mn",
"Nd",
"O"
] |
mp-1222763 | mp-1222763 | LaSmB12 | # generated using pymatgen
data_LaSmB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13544400
_cell_length_b 4.13544400
_cell_length_c 8.27450000
_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_LaSmB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13544400
_cell_length_b 4.13544400
_cell_length_c 8.27450000
_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,
4.13725
],
[
0,
0,
0
],
[
0.8241278220959998,
2.067722,
2.059837481
],
[
0.8241278220959998,
2.067722,
6.214662519
],
[
2.067722,
2.067722,
3.3040823205000005
],
[
2.067722,
2.067722,
7.452527719
],
[
2.06772... | [
[
4.135444,
0,
2.5322291288265633e-16
],
[
-2.5322291288265633e-16,
4.135444,
2.5322291288265633e-16
],
[
0,
0,
8.2745
]
] | [
57,
62,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.506932 | 0 | 0.001679 | 123 | 123 | [
"B",
"La",
"Sm"
] |
mp-570482 | mp-570482 | Ba(AlGe)2 | # generated using pymatgen
data_Ba(AlGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32474900
_cell_length_b 10.29351800
_cell_length_c 11.08905200
_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_Ba(AlGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32474900
_cell_length_b 10.29351800
_cell_length_c 11.08905200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.2435617499999996,
2.5922063444220003,
7.4840122838520005
],
[
3.243561749999999,
7.738965344422001,
9.149565716148002
],
[
1.0811872499999995,
7.701311655578,
3.605039716148001
],
[
1.0811872499999997,
2.554552655578,
1.9394862838520004
],
[
1.... | [
[
4.324749,
0,
2.648145009982858e-16
],
[
-6.302961935332832e-16,
10.293518,
6.302961935332832e-16
],
[
0,
0,
11.089052
]
] | [
56,
56,
56,
56,
13,
13,
13,
13,
13,
13,
13,
13,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.396579 | 0 | 0 | 62 | 62 | [
"Al",
"Ba",
"Ge"
] |
mp-1210797 | mp-1210797 | Li2MgGeO4 | # generated using pymatgen
data_Li2MgGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09165800
_cell_length_b 5.55182800
_cell_length_c 6.35494300
_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_Li2MgGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09165800
_cell_length_b 5.55182800
_cell_length_c 6.35494300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.5577231130879996,
4.624722690452001,
1.5920530302460005
],
[
0.011894113087999942,
0.9271053095480001,
1.585418469754
],
[
0.011894113087999942,
0.9271053095480001,
4.769524530246
],
[
2.5577231130879996,
4.624722690452001,
4.762889969754
],
[
... | [
[
5.091658,
0,
3.1177413360265067e-16
],
[
-3.399514194808326e-16,
5.551828,
3.399514194808326e-16
],
[
0,
0,
6.354943
]
] | [
3,
3,
3,
3,
12,
12,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.528208 | 3.7673 | 0 | 31 | 31 | [
"Ge",
"Li",
"Mg",
"O"
] |
mp-1227486 | mp-1227486 | BiSbS3 | # generated using pymatgen
data_BiSbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96888500
_cell_length_b 11.20558400
_cell_length_c 11.86769200
_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_BiSbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96888500
_cell_length_b 11.20558400
_cell_length_c 11.86769200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9922212499999999,
1.902383201264,
6.120358647472
],
[
0.9922212499999998,
3.700408798736,
0.1865126474720003
],
[
2.9766637499999997,
9.303200798736,
5.747333352528001
],
[
2.9766637499999997,
7.505175201264,
11.681179352528002
],
[
2.976663749... | [
[
3.968885,
0,
2.4302411557169716e-16
],
[
-6.861441289088397e-16,
11.205584,
6.861441289088397e-16
],
[
0,
0,
11.867692
]
] | [
83,
83,
83,
83,
51,
51,
51,
51,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.595231 | 1.3484 | 0.002304 | 62 | 62 | [
"Bi",
"S",
"Sb"
] |
mp-1189938 | mp-1189938 | Ho3Ru | # generated using pymatgen
data_Ho3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24906800
_cell_length_b 7.29095800
_cell_length_c 9.13379500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_Ho3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24906800
_cell_length_b 7.29095800
_cell_length_c 9.13379500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | [
[
2.0650920075519994,
4.927717910586,
0.5926828237550004
],
[
1.059441992448,
1.282238910586,
3.974214676245
],
[
4.1839759924480004,
2.363240089414,
5.159580323755
],
[
5.189626007552,
6.008719089414,
8.541112176245
],
[
4.1839759924480004,
2.... | [
[
6.249068,
0,
3.826450561927076e-16
],
[
-4.464424188708894e-16,
7.290958,
4.464424188708894e-16
],
[
0,
0,
9.133795
]
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.337614 | 0 | 0 | 62 | 62 | [
"Ho",
"Ru"
] |
mp-5436 | mp-5436 | FeCo2Si | # generated using pymatgen
data_FeCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97694956
_cell_length_b 3.97694956
_cell_length_c 3.97694956
_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_FeCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62425600
_cell_length_b 5.62425600
_cell_length_c 5.62425600
_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
],
[
1.1480464495097815,
0.8117914295655055,
1.9884747799999993
],
[
3.4441393485293452,
2.435374288696518,
5.965424339999998
],
[
2.296092899019563,
1.6235828591310117,
3.9769495599999987
]
] | [
[
3.4441393485293457,
0,
1.9884747799999996
],
[
1.1480464495097813,
3.247165718262025,
1.9884747799999993
],
[
0,
0,
3.9769495599999996
]
] | [
26,
27,
27,
14
] | [
1,
1,
1
] | -0.344625 | 0 | 0.007117 | 225 | 225 | [
"Fe",
"Co",
"Si"
] |
mp-20856 | mp-20856 | Eu(FeP3)4 | # generated using pymatgen
data_Eu(FeP3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76394253
_cell_length_b 6.76394269
_cell_length_c 6.76394300
_cell_angle_alpha 109.47122455
_cell_angle_beta 109.47122504
_cell_angle_gamma 109.47121574
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Eu(FeP3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81032821
_cell_length_b 7.81032821
_cell_length_c 7.81032821
_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
],
[
2.6073323862898282e-17,
4.516032678848511e-17,
3.381971265
],
[
1.594276474967195,
2.761368169984807,
1.1273240785032428
],
[
4.782829498595309,
2.761368169984807,
-3.3819708637089354
],
[
3.1885530236281134,
2.2335899964945084e-... | [
[
6.377106047256227,
0,
-2.2546473544243564
],
[
-3.188553097321837,
5.522736339969614,
-2.254647018569158
],
[
0,
0,
6.76394253
]
] | [
63,
26,
26,
26,
26,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.560845 | 0 | 0 | 204 | 204 | [
"Eu",
"Fe",
"P"
] |
mp-684983 | mp-684983 | Ba3LaIn(WO6)2 | # generated using pymatgen
data_Ba3LaIn(WO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.90649523
_cell_length_b 9.90649523
_cell_length_c 9.90649475
_cell_angle_alpha 34.12813236
_cell_angle_beta 34.12813236
_cell_angle_gamma 34.12813028
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba3LaIn(WO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81394010
_cell_length_b 5.81394010
_cell_length_c 27.96143954
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
5.737549952806541,
3.5208504129060096,
11.027583629144784
],
[
2.3286723756023218,
1.4289909739525197,
2.320101083484223
],
[
1.0625206155505085,
0.6520163098801859,
6.444994646847926
],
[
6.93421501743726,
4.255184531401016,
7.129065158976982
],
[
... | [
[
5.55799463397821,
0,
1.7060469945001702
],
[
2.517158814144275,
4.955321972960624,
1.7060469945001702
],
[
0,
0,
9.90649475
]
] | [
56,
56,
56,
57,
49,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.791109 | 3.0502 | 0.06644 | 160 | 160 | [
"Ba",
"In",
"La",
"O",
"W"
] |
mp-22323 | mp-22323 | In2O3 | # generated using pymatgen
data_In2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87940624
_cell_length_b 5.87940624
_cell_length_c 5.87940685
_cell_angle_alpha 56.72063185
_cell_angle_beta 56.72063185
_cell_angle_gamma 56.72062773
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | # generated using pymatgen
data_In2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58561033
_cell_length_b 5.58561033
_cell_length_c 14.74820834
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9504775045152394,
0.6562913063665614,
4.118621673236061
],
[
2.3778745790903195,
1.6418888468938002,
7.353736997841295
],
[
4.278829588120798,
2.9544714596269226,
3.832166644313416
],
[
5.706226662695878,
3.940069000154161,
7.067281968918655
],
[
... | [
[
4.915213053890379,
0,
2.653248396077356
],
[
1.7414911133207382,
4.596360306520722,
2.6532483960773554
],
[
0,
0,
5.87940685
]
] | [
49,
49,
49,
49,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.96766 | 0.9589 | 0.029403 | 167 | 167 | [
"In",
"O"
] |
mp-2076 | mp-2076 | ZrSe2 | # generated using pymatgen
data_ZrSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80468400
_cell_length_b 3.80468400
_cell_length_c 6.68690700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000004
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80468400
_cell_length_b 3.80468400
_cell_length_c 6.68690700
_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
],
[
4.4047513780287023e-16,
2.196635332024157,
1.5925738318410005
],
[
1.9023419988498442,
1.0983176660120784,
5.094333168159
]
] | [
[
3.804683997699689,
0,
1.0777792591113203e-15
],
[
-1.9023419988498447,
3.2949529980362358,
2.3296970411835744e-16
],
[
0,
0,
6.686907
]
] | [
40,
34,
34
] | [
1,
1,
1
] | -1.643561 | 0.343 | 0 | 164 | 164 | [
"Zr",
"Se"
] |
mp-864949 | mp-864949 | MnGaRh2 | # generated using pymatgen
data_MnGaRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29265576
_cell_length_b 4.29265576
_cell_length_c 4.29265576
_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_MnGaRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07073199
_cell_length_b 6.07073199
_cell_length_c 6.07073199
_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
],
[
2.478365958574398,
1.7524693755698528,
4.292655760000001
],
[
1.2391829792871996,
0.8762346877849257,
2.14632788
],
[
3.717548937861596,
2.62870406335478,
6.43898364
]
] | [
[
3.717548937861596,
0,
2.1463278800000003
],
[
1.2391829792871976,
3.504938751139708,
2.1463278800000007
],
[
0,
0,
4.292655759999999
]
] | [
25,
31,
45,
45
] | [
1,
1,
1
] | -0.529182 | 0 | 0 | 225 | 225 | [
"Mn",
"Ga",
"Rh"
] |
mp-1079966 | mp-1079966 | CrNiP | # generated using pymatgen
data_CrNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78219409
_cell_length_b 5.78219409
_cell_length_c 3.55333500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000105
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CrNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78219409
_cell_length_b 5.78219409
_cell_length_c 3.55333500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7766675,
8.806552808555083e-17,
2.35921035724317
],
[
1.776667500000001,
2.0431360806265517,
4.60258894882084
],
[
1.7766675000000012,
2.9643908379435726,
1.711491920703714
],
[
3.553335,
6.171691594864469e-17,
4.30317822810708
],
[
3.553335000... | [
[
3.553335,
0,
2.1757901670241302e-16
],
[
1.9171660819471697e-15,
5.007526918570124,
-2.8910969532322763
],
[
0,
0,
5.78219409
]
] | [
24,
24,
24,
28,
28,
28,
15,
15,
15
] | [
1,
1,
1
] | -0.493261 | 0 | 0.022053 | 189 | 189 | [
"Cr",
"Ni",
"P"
] |
mp-10547 | mp-10547 | RbAuO | # generated using pymatgen
data_RbAuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76632448
_cell_length_b 7.76632448
_cell_length_c 7.76632448
_cell_angle_alpha 98.42961263
_cell_angle_beta 98.42961263
_cell_angle_gamma 134.97607032
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbAuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.14631400
_cell_length_b 10.14631400
_cell_length_c 5.94708400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.336413733567252,
4.974078346095879,
8.01054833581727
],
[
4.651413886167897,
4.974078346095879,
4.3097718215996546
],
[
3.589456828665689,
2.200449087451185,
6.872049416476396
],
[
1.9044569812663354,
2.200449087451185,
3.171272902258779
],
[
2... | [
[
5.493913810426877,
0,
2.2769978389402685
],
[
2.7469569044067104,
7.1745274335470635,
1.1384989191357817
],
[
0,
0,
7.76632448
]
] | [
37,
37,
37,
37,
79,
79,
79,
79,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.067956 | 1.4854 | 0 | 139 | 139 | [
"Au",
"O",
"Rb"
] |
mp-12309 | mp-12309 | Cs2NaAl3F12 | # generated using pymatgen
data_Cs2NaAl3F12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43163338
_cell_length_b 7.43163338
_cell_length_c 7.43163279
_cell_angle_alpha 57.46966103
_cell_angle_beta 57.46966103
_cell_angle_gamma 57.46966040
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cs2NaAl3F12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14561389
_cell_length_b 7.14561389
_cell_length_c 18.54408676
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.26846059013626,
3.6569849414087385,
5.254098315433986
],
[
3.188286784434174,
2.2130784809129054,
9.04813600374537
],
[
0,
0,
0
],
[
1.0955432961927598,
2.9350317111608217,
5.433466777294839
],
[
0,
0,
3.715816395
],
[
5.3239169... | [
[
6.265660782184914,
0,
3.4353007645896785
],
[
2.1910865923855196,
5.8700634223216435,
3.4353007645896785
],
[
0,
0,
7.43163279
]
] | [
55,
55,
11,
13,
13,
13,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.657067 | 7.0319 | 0 | 166 | 166 | [
"Al",
"Cs",
"F",
"Na"
] |
mp-12954 | mp-12954 | CuBS2 | # generated using pymatgen
data_CuBS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75151568
_cell_length_b 5.75151568
_cell_length_c 5.75151568
_cell_angle_alpha 128.33757504
_cell_angle_beta 128.33757504
_cell_angle_gamma 76.07880461
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CuBS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01211800
_cell_length_b 5.01211800
_cell_length_c 9.05964000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0,
0,
0
],
[
3.1191860204771418,
1.0964228471107518,
0.6918703039636627
],
[
0.3349282789093477,
3.2892685413322558,
0.6918703037357956
],
[
1.7270571496932445,
2.192845694221504,
3.5676281438497295
],
[
2.4398949076001206,
0.5482114235553753... | [
[
4.51131489126104,
0,
-2.1838875359224037
],
[
-1.05720059187455,
4.385691388443009,
-2.1838875363781374
],
[
0,
0,
5.75151568
]
] | [
29,
29,
5,
5,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.592684 | 1.9146 | 0 | 122 | 122 | [
"Cu",
"B",
"S"
] |
mp-1227032 | mp-1227032 | CaMnO2 | # generated using pymatgen
data_CaMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30914236
_cell_length_b 5.71485612
_cell_length_c 5.71485612
_cell_angle_alpha 109.36118360
_cell_angle_beta 90.00000709
_cell_angle_gamma 90.00000709
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30654763
_cell_length_b 3.30654763
_cell_length_c 4.66299000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.30914306621756,
4.0437499194421385,
0.007763840527405641
],
[
3.3091425954058367,
1.347916639814047,
3.812492299833132
],
[
1.6545714154077324,
1.3479274231471652,
0.9550659607446572
],
[
1.654571886216631,
4.04374452777558,
2.8651935903852066
],
[... | [
[
3.3091423599999747,
0,
4.0948599490271453e-7
],
[
9.416234469647021e-7,
5.391666559256185,
-1.8946007986114526
],
[
0,
0,
5.71485612
]
] | [
20,
20,
25,
25,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.605238 | 1.5869 | 0.03737 | 123 | 123 | [
"Ca",
"Mn",
"O"
] |
mp-1229153 | mp-1229153 | Cs(ThTe3)2 | # generated using pymatgen
data_Cs(ThTe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.77826359
_cell_length_b 12.77826359
_cell_length_c 6.27526200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 159.83259294
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Cs(ThTe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47460800
_cell_length_b 25.16175600
_cell_length_c 6.27526200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.18814902296877,
6.275262,
12.304468193192953
],
[
3.0052526554095413,
6.275262,
4.120967368605115
],
[
1.4007339796511007,
3.137631,
7.87665123299399
],
[
1.2039275778264418,
1.3310904818527955e-32,
6.769963303584707
],
[
3.2031824568819784,
... | [
[
4.4054888148245634,
0,
-0.783444346761052
],
[
2.4025271670765727e-15,
6.275262,
3.8424897610555086e-16
],
[
0,
0,
12.77826359
]
] | [
55,
90,
90,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.390246 | 0 | 0 | 38 | 38 | [
"Cs",
"Te",
"Th"
] |
mp-1183260 | mp-1183260 | AcSm3 | # generated using pymatgen
data_AcSm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45685041
_cell_length_b 7.45685041
_cell_length_c 6.09229100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000359
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AcSm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45685041
_cell_length_b 7.45685041
_cell_length_c 6.09229100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5230727500000023,
4.305214435778175,
2.6975320348830524e-7
],
[
4.569218250000001,
2.152607217889088,
3.728425339876603
],
[
4.569218250000002,
5.409013296716816,
-1.9118354387291816
],
[
4.569218250000001,
2.0976167139008934,
1.3143104378398207e-7
]... | [
[
6.092291,
0,
3.730452336312114e-16
],
[
2.4724213846483154e-15,
6.457821653667263,
-3.7284248003701954
],
[
0,
0,
7.456850410000001
]
] | [
89,
89,
62,
62,
62,
62,
62,
62
] | [
1,
1,
1
] | 0.050526 | 0 | 0.050526 | 194 | 194 | [
"Ac",
"Sm"
] |
mp-1227676 | mp-1227676 | BaSrCoWO6 | # generated using pymatgen
data_BaSrCoWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76121132
_cell_length_b 5.75868930
_cell_length_c 5.75814623
_cell_angle_alpha 59.94640525
_cell_angle_beta 59.97015024
_cell_angle_gamma 89.76985346
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_BaSrCoWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14696939
_cell_length_b 8.14696939
_cell_length_c 8.14696939
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.01896770590024791,
3.5289871111936217,
5.7539293355536385
],
[
3.324746476558372,
1.1801928182225698,
5.75331679469854
],
[
1.6710947657703323,
2.35524701160555,
2.874536946031003
],
[
4.984449308144535,
0.000047100136018125175,
8.63227249848185
],
... | [
[
4.984475691903084,
0,
2.8741378162186257
],
[
-1.641480716440778,
4.710013601823714,
2.8749416236834793
],
[
0,
0,
5.75814623
]
] | [
56,
38,
27,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.57848 | 0 | 0.015031 | 216 | 216 | [
"Ba",
"Co",
"O",
"Sr",
"W"
] |
mp-867229 | mp-867229 | RbSn3 | # generated using pymatgen
data_RbSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95689817
_cell_length_b 7.95689817
_cell_length_c 5.50370300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000142
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95689817
_cell_length_b 7.95689817
_cell_length_c 5.50370300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3759257500000017,
4.593917234630214,
1.1385415365890248e-7
],
[
4.12777725,
2.296958617315107,
3.9784491419270775
],
[
4.127777250000002,
6.003337933090615,
-2.4411961020166464
],
[
4.12777725,
1.7750689468335576,
-0.000003934456352155645
],
[
... | [
[
5.503703,
0,
3.3700461312038424e-16
],
[
2.6382191594949427e-15,
6.89087585194532,
-3.9784489142187702
],
[
0,
0,
7.9568981700000005
]
] | [
37,
37,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.123239 | 0 | 0.016086 | 194 | 194 | [
"Rb",
"Sn"
] |
mp-862989 | mp-862989 | Pm2AgPt | # generated using pymatgen
data_Pm2AgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16000850
_cell_length_b 5.16000850
_cell_length_c 5.16000850
_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_Pm2AgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29735400
_cell_length_b 7.29735400
_cell_length_c 7.29735400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.4686984447436355,
3.159846973356004,
7.740012750000001
],
[
1.4895661482478793,
1.0532823244520029,
2.580004250000001
],
[
2.9791322964957567,
2.106564648904004,
5.160008500000001
],
[
0,
0,
0
]
] | [
[
4.4686984447436355,
0,
2.5800042500000004
],
[
1.4895661482478786,
4.213129297808004,
2.5800042500000004
],
[
0,
0,
5.1600085
]
] | [
61,
61,
47,
78
] | [
1,
1,
1
] | -0.681561 | 0 | 0 | 225 | 225 | [
"Pm",
"Ag",
"Pt"
] |
mp-864980 | mp-864980 | MnAlRu2 | # generated using pymatgen
data_MnAlRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23274968
_cell_length_b 4.23274968
_cell_length_c 4.23274968
_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_MnAlRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98601200
_cell_length_b 5.98601200
_cell_length_c 5.98601200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.443779167160303,
1.7280128208214631,
4.23274968
],
[
0,
0,
0
],
[
1.2218895835801515,
0.8640064104107327,
2.11637484
],
[
3.6656687507404535,
2.592019231232195,
6.34912452
]
] | [
[
3.665668750740454,
0,
2.1163748399999998
],
[
1.2218895835801502,
3.4560256416429262,
2.11637484
],
[
0,
0,
4.2327496799999995
]
] | [
25,
13,
44,
44
] | [
1,
1,
1
] | -0.414145 | 0 | 0 | 225 | 225 | [
"Mn",
"Al",
"Ru"
] |
mp-1103635 | mp-1103635 | U(AlFe2)4 | # generated using pymatgen
data_U(AlFe2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81155400
_cell_length_b 6.47905398
_cell_length_c 6.47905398
_cell_angle_alpha 82.07506274
_cell_angle_beta 68.20319305
_cell_angle_gamma 68.20319305
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_U(AlFe2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50768799
_cell_length_b 8.50768799
_cell_length_c 4.81155400
_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
],
[
3.0110679314673505,
3.922510680826134,
5.428684172479269
],
[
3.690270967163994,
2.0933331926553533,
3.7302809462893074
],
[
1.4564913334629987,
3.922510680826134,
2.8369772329597267
],
[
0.7772882985523974,
2.0933331926553533,
... | [
[
4.4675592666159485,
0,
1.7866074258745182
],
[
2.233779632015396,
6.015843873481487,
0.8933037116469803
],
[
0,
0,
6.479053981247078
]
] | [
92,
13,
13,
13,
13,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.180008 | 0 | 0.055555 | 139 | 139 | [
"Al",
"Fe",
"U"
] |
mp-755557 | mp-755557 | Mg(NiO2)2 | # generated using pymatgen
data_Mg(NiO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68355713
_cell_length_b 5.68374173
_cell_length_c 6.00618123
_cell_angle_alpha 118.24074402
_cell_angle_beta 118.23980492
_cell_angle_gamma 90.00012287
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Mg(NiO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68364943
_cell_length_b 5.68364943
_cell_length_c 8.92656012
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.08429931865529049,
1.7978396056227017,
3.159913184675279
],
[
3.4786591237592805,
2.996360989099745,
-2.532398159364921
],
[
2.503636564967857,
0,
1.6584092131558292
],
[
2.5036415722510017,
4.37538466859735e-17,
-1.3446222112669353
],
[
1.7814... | [
[
5.007283144502003,
0,
-2.6892444225338705
],
[
-1.4443247020874317,
4.794200594722446,
-2.68931003465142
],
[
0,
0,
6.006069482495649
]
] | [
12,
12,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.567704 | 0.2858 | 0.006401 | 141 | 141 | [
"Mg",
"Ni",
"O"
] |
mp-867888 | mp-867888 | LiTm2Pt | # generated using pymatgen
data_LiTm2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90610767
_cell_length_b 4.90610767
_cell_length_c 4.90610767
_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_LiTm2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93828401
_cell_length_b 6.93828401
_cell_length_c 6.93828401
_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
],
[
1.4162712919738936,
1.0014550345545723,
2.4530538349999986
],
[
4.248813875921681,
3.0043651036637176,
7.359161504999999
],
[
2.832542583947788,
2.0029100691091446,
4.906107669999999
]
] | [
[
4.248813875921681,
0,
2.4530538350000004
],
[
1.4162712919738936,
4.005820138218291,
2.453053835
],
[
0,
0,
4.906107669999999
]
] | [
3,
69,
69,
78
] | [
1,
1,
1
] | -0.71618 | 0 | 0.027701 | 225 | 225 | [
"Li",
"Pt",
"Tm"
] |
mp-571458 | mp-571458 | RbGeI3 | # generated using pymatgen
data_RbGeI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95629100
_cell_length_b 5.95629100
_cell_length_c 5.95629100
_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_RbGeI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95629100
_cell_length_b 5.95629100
_cell_length_c 5.95629100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9781455,
2.9781455,
2.9781455000000006
],
[
0,
0,
0
],
[
2.9781455,
0,
1.823588176985047e-16
],
[
0,
0,
2.9781455
],
[
-1.823588176985047e-16,
2.9781455,
1.823588176985047e-16
]
] | [
[
5.956291,
0,
3.647176353970094e-16
],
[
-3.647176353970094e-16,
5.956291,
3.647176353970094e-16
],
[
0,
0,
5.956291
]
] | [
37,
32,
53,
53,
53
] | [
1,
1,
1
] | -1.02195 | 2.4471 | 0.012915 | 221 | 221 | [
"Rb",
"Ge",
"I"
] |
mp-1102684 | mp-1102684 | TmNi3 | # generated using pymatgen
data_TmNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93461616
_cell_length_b 4.93461616
_cell_length_c 8.55835126
_cell_angle_alpha 73.24424434
_cell_angle_beta 73.24424434
_cell_angle_gamma 59.99999784
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TmNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93461608
_cell_length_b 4.93461608
_cell_length_c 24.21068101
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.915567520650271,
3.621930610920197,
6.026918584090873
],
[
0.9579321559256845,
0.5865141064860372,
5.376657936982538
],
[
0,
0,
0
],
[
3.9445073527761534,
3.8657089796206705,
4.015308847130582
],
[
2.867280390083659,
1.7555527138660096,
... | [
[
4.725104226360576,
0,
1.422612630536705
],
[
2.1483954502153795,
4.208444717406234,
1.4226126305367042
],
[
0,
0,
8.55835126
]
] | [
69,
69,
69,
28,
28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.447772 | 0 | 0 | 166 | 166 | [
"Ni",
"Tm"
] |
mp-1009132 | mp-1009132 | HoBiPd | # generated using pymatgen
data_HoBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74623648
_cell_length_b 4.74623648
_cell_length_c 4.74623648
_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_HoBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71219200
_cell_length_b 6.71219200
_cell_length_c 6.71219200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7402409093656224,
1.9376429290972246,
4.74623648
],
[
0,
0,
0
],
[
4.110361364048432,
2.906464393645835,
7.11935472
]
] | [
[
4.110361364048433,
0,
2.3731182399999997
],
[
1.37012045468281,
3.8752858581944456,
2.37311824
],
[
0,
0,
4.746236479999999
]
] | [
67,
83,
46
] | [
1,
1,
1
] | -0.932241 | 0 | 0 | 216 | 216 | [
"Bi",
"Ho",
"Pd"
] |
mp-1205681 | mp-1205681 | K2NaPdF6 | # generated using pymatgen
data_K2NaPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14982278
_cell_length_b 6.14982278
_cell_length_c 6.14982278
_cell_angle_alpha 121.69369664
_cell_angle_beta 121.69369664
_cell_angle_gamma 87.09064001
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_K2NaPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99172000
_cell_length_b 5.99172000
_cell_length_c 8.91514800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.517481169652463,
1.2432364406717722,
0.1560704879301296
],
[
0.08705745240692586,
3.7297093220153172,
0.15607048801126913
],
[
1.8022693110296943,
2.486472881343545,
-2.9188409020293
],
[
0,
0,
0
],
[
-0.017884441796643287,
3.80577052745561... | [
[
5.232693028275231,
0,
-2.918840902110441
],
[
-1.6281544062158426,
4.97294576268709,
-2.918840901948162
],
[
0,
0,
6.14982278
]
] | [
19,
19,
11,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.50228 | 0.5881 | 0.007353 | 139 | 139 | [
"F",
"K",
"Na",
"Pd"
] |
mp-1209522 | mp-1209522 | Rb2Mn3Te4 | # generated using pymatgen
data_Rb2Mn3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.50557661
_cell_length_b 10.50557661
_cell_length_c 10.50557661
_cell_angle_alpha 143.28201138
_cell_angle_beta 104.90555452
_cell_angle_gamma 86.62823438
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Rb2Mn3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61788000
_cell_length_b 12.80451400
_cell_length_c 15.28779400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.933775548498824,
1.2014786705185911,
11.082621928705006
],
[
3.936864725153685,
8.614764133786995,
4.20969988051449
],
[
6.416507631496156,
6.10959025642858,
7.243355463278791
],
[
2.4541326421563543,
3.7066525478770056,
8.048966345940704
],
[
... | [
[
6.281040982961657,
0,
2.084432739833385
],
[
2.5895992906908525,
9.816242804305585,
2.7023124595707477
],
[
0,
0,
10.505576609815366
]
] | [
37,
37,
37,
37,
25,
25,
25,
25,
25,
25,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.6618 | 0.2427 | 0 | 72 | 72 | [
"Mn",
"Rb",
"Te"
] |
mp-557510 | mp-557510 | Cu3TeS3Cl | # generated using pymatgen
data_Cu3TeS3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48178004
_cell_length_b 5.48178004
_cell_length_c 5.48177999
_cell_angle_alpha 85.04968754
_cell_angle_beta 85.04968754
_cell_angle_gamma 85.04968686
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cu3TeS3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41037801
_cell_length_b 7.41037801
_cell_length_c 10.28144461
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.543733490914201,
4.196052734057249,
1.8034938020455538
],
[
1.4046797280113483,
4.196052734057249,
4.682411574372465
],
[
4.294376332019906,
1.0669187430458809,
4.682411574372465
],
[
1.4879926029874078,
1.3741332854374881,
1.6224460073048341
],
[
... | [
[
5.461332484720802,
0,
0.47303266089743956
],
[
0.43383212108726305,
5.444074044259466,
0.47303266089743956
],
[
0,
0,
5.48177999
]
] | [
29,
29,
29,
52,
16,
16,
16,
17
] | [
1,
1,
1
] | -0.479414 | 0.8727 | 0.066061 | 160 | 160 | [
"Cl",
"Cu",
"S",
"Te"
] |
mvc-5179 | mvc-5179 | Ca2AlCoO5 | # generated using pymatgen
data_Ca2AlCoO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30127968
_cell_length_b 8.30127968
_cell_length_c 5.58986313
_cell_angle_alpha 70.56233689
_cell_angle_beta 70.56233689
_cell_angle_gamma 36.90551796
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ca2AlCoO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.74893801
_cell_length_b 5.25508600
_cell_length_c 5.58986313
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.53738203
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.11018860997010348,
3.3723747814497194,
0.4560959360435602
],
[
1.3176760982759277,
4.814169587647619,
4.1341460198174795
],
[
4.17841148141464,
1.8622162168144882,
4.346850748526139
],
[
2.9352919599679104,
0.4204214106165883,
0.68069031715349
],
[... | [
[
4.984895514956071,
0,
-1.6633537214982212
],
[
-0.6207094528780486,
5.234590998264207,
-1.8602007064111588
],
[
0,
0,
8.30127968
]
] | [
20,
20,
20,
20,
13,
13,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.796869 | 0 | 0.020934 | 5 | 5 | [
"Al",
"Ca",
"Co",
"O"
] |
mp-3392 | mp-3392 | Ba(TlHg)2 | # generated using pymatgen
data_Ba(TlHg)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.09264800
_cell_length_b 11.09264800
_cell_length_c 5.20950800
_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_Ba(TlHg)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.09264800
_cell_length_b 11.09264800
_cell_length_c 5.20950800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-5.787423272156441e-16,
9.451579469584,
1.6410685304160006
],
[
2.6047539999999993,
7.187392530416001,
7.187392530416001
],
[
2.6047539999999993,
3.905255469583999,
3.9052554695840005
],
[
-1.0048646614777008e-16,
1.6410685304159998,
9.451579469584
],
... | [
[
5.209508,
0,
3.1899036486662646e-16
],
[
-6.792287933634145e-16,
11.092648,
6.792287933634145e-16
],
[
0,
0,
11.092648
]
] | [
56,
56,
56,
56,
81,
81,
81,
81,
81,
81,
81,
81,
80,
80,
80,
80,
80,
80,
80,
80
] | [
1,
1,
1
] | -0.320373 | 0 | 0.002201 | 136 | 136 | [
"Ba",
"Hg",
"Tl"
] |
mp-1189383 | mp-1189383 | Li2CdGeS4 | # generated using pymatgen
data_Li2CdGeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46486400
_cell_length_b 6.90565400
_cell_length_c 7.85241500
_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_Li2CdGeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46486400
_cell_length_b 6.90565400
_cell_length_c 7.85241500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.035348714208,
4.622451429288,
1.9985652561400007
],
[
4.035348714208,
4.622451429288,
5.853849743860001
],
[
0.8029167142079999,
2.283202570712,
1.9276422438600003
],
[
0.8029167142079999,
2.283202570712,
5.924772756139999
],
[
0.82551141388799... | [
[
6.464864,
0,
3.9585875022614775e-16
],
[
-4.228493533559558e-16,
6.905654,
4.228493533559558e-16
],
[
0,
0,
7.852415
]
] | [
3,
3,
3,
3,
48,
48,
32,
32,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.104277 | 2.2567 | 0 | 31 | 31 | [
"Cd",
"Ge",
"Li",
"S"
] |
mp-570459 | mp-570459 | Te | # generated using pymatgen
data_Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37819230
_cell_length_b 4.37819230
_cell_length_c 6.00456217
_cell_angle_alpha 89.31403603
_cell_angle_beta 89.31403603
_cell_angle_gamma 59.01512557
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te
_... | # generated using pymatgen
data_Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62060000
_cell_length_b 4.31285600
_cell_length_c 6.00456217
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.78820701
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te
_... | [
[
2.1564280004170753,
1.423172404703781,
3.9573920953727453
],
[
4.1611971734587413e-16,
2.386767052449045,
1.9947541645756273
],
[
0,
0,
0
]
] | [
[
4.3128560008341505,
0,
2.6408626483024985e-16
],
[
-2.1564280004170753,
3.809939457152826,
-0.0524159100516281
],
[
0,
0,
6.00456217
]
] | [
52,
52,
52
] | [
1,
1,
1
] | 0.043644 | 0 | 0.043644 | 12 | 12 | [
"Te"
] |
mp-6124 | mp-6124 | NaAl(SiO3)2 | # generated using pymatgen
data_NaAl(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45333039
_cell_length_b 6.45333039
_cell_length_c 5.29239740
_cell_angle_alpha 76.92286645
_cell_angle_beta 76.92286645
_cell_angle_gamma 84.36752769
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_NaAl(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.56377001
_cell_length_b 8.66696001
_cell_length_c 5.29239740
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.77920438
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.8127503473441315,
4.395078231264094,
3.2771972058777843
],
[
1.6942937247068253,
1.8831923841870246,
5.006979230091497
],
[
3.9948169806408407,
0.5965612738801647,
6.798421806348597
],
[
2.5122270914101166,
5.681709341570954,
1.4857546296206838
],
... | [
[
5.155146192119696,
0,
1.197471493356127
],
[
1.3518978799312606,
6.278270615451119,
0.6333745526131541
],
[
0,
0,
6.45333039
]
] | [
11,
11,
13,
13,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.160414 | 5.2268 | 0.031104 | 15 | 15 | [
"Al",
"Na",
"O",
"Si"
] |
mp-570491 | mp-570491 | TaNi3 | # generated using pymatgen
data_TaNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53645640
_cell_length_b 4.53645640
_cell_length_c 4.53645640
_cell_angle_alpha 132.84856433
_cell_angle_beta 132.84856433
_cell_angle_gamma 68.89206875
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TaNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62880800
_cell_length_b 3.62880800
_cell_length_c 7.48206200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
1.3462798408786147,
1.6325285206902906,
-1.4513803644444057
],
[
0.35645986062755225,
2.448792781035436,
0.8168478355023621
],
[
2.336099821129677,
0.8162642603451453,
0.8168478356088251
]
] | [
[
3.3259198013807394,
0,
-1.4513803643379428
],
[
-0.6333601196235101,
3.2650570413805813,
-1.4513803645508687
],
[
0,
0,
4.536456399999999
]
] | [
73,
28,
28,
28
] | [
1,
1,
1
] | -0.360777 | 0 | 0 | 139 | 139 | [
"Ta",
"Ni"
] |
mp-6992 | mp-6992 | Eu(NiAs)2 | # generated using pymatgen
data_Eu(NiAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85393924
_cell_length_b 5.85393924
_cell_length_c 5.85393924
_cell_angle_alpha 138.92882642
_cell_angle_beta 138.92882642
_cell_angle_gamma 59.48339409
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu(NiAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10699600
_cell_length_b 4.10699600
_cell_length_c 10.16560801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.749593184922503,
0.9519908283476767,
1.4862802417415129
],
[
0.5567498403826302,
2.8559724850430306,
1.4862802418312544
],
[
2.0939037315827154,
2.4115793584070215,
-0.2641257915610909
],
[
1.2124392937224175,
1.396383954983685... | [
[
3.8460148571924395,
0,
-1.4406893783033585
],
[
-0.5396718318873065,
3.8079633133907076,
-1.440689378123875
],
[
0,
0,
5.853939240000001
]
] | [
63,
28,
28,
33,
33
] | [
1,
1,
1
] | -0.734636 | 0 | 0 | 139 | 139 | [
"As",
"Eu",
"Ni"
] |
mp-1188677 | mp-1188677 | YbGe2Pt | # generated using pymatgen
data_YbGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.50414184
_cell_length_b 9.50414184
_cell_length_c 9.50414184
_cell_angle_alpha 153.37973480
_cell_angle_beta 123.98600718
_cell_angle_gamma 63.06456063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_YbGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37612200
_cell_length_b 8.92589800
_cell_length_c 16.20162799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5239208136607134,
5.7921664374674275,
5.391325509572003
],
[
-0.2569412754328172,
2.025788477589569,
-1.0860801323867437
],
[
0.16738459550733603,
5.495983215510494,
0.7075277506757867
],
[
3.0995949427205596,
2.321971699546504,
3.5977176265094726
],... | [
[
4.258571369938367,
0,
-1.0074788478612697
],
[
-0.9915918317104708,
7.817954915056997,
-4.191417614953472
],
[
0,
0,
9.50414184
]
] | [
70,
70,
70,
70,
32,
32,
32,
32,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.811728 | 0 | 0.001258 | 71 | 71 | [
"Ge",
"Pt",
"Yb"
] |
mp-1490 | mp-1490 | AlAu4 | # generated using pymatgen
data_AlAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05465000
_cell_length_b 7.05465000
_cell_length_c 7.05465000
_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_AlAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05465000
_cell_length_b 7.05465000
_cell_length_c 7.05465000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
0.44731419255,
0.44731419255,
0.44731419255000004
],
[
3.0800108074499994,
6.60733580745,
3.97463919255
],
[
3.9746391925499998,
3.08001080745,
6.60733580745
],
[
6.60733580745,
3.9746391925499998,
3.0800108074500008
],
[
4.8151936854,
4.8151... | [
[
7.05465,
0,
4.3197272708024376e-16
],
[
-4.3197272708024376e-16,
7.05465,
4.3197272708024376e-16
],
[
0,
0,
7.05465
]
] | [
13,
13,
13,
13,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.210942 | 0 | 0 | 198 | 198 | [
"Al",
"Au"
] |
mp-1207786 | mp-1207786 | Y3Fe2Si3 | # generated using pymatgen
data_Y3Fe2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68385405
_cell_length_b 5.68385405
_cell_length_c 13.65460000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.92030552
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Y3Fe2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08120200
_cell_length_b 10.60983401
_cell_length_c 13.65460000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.563301763664046e-16,
3.8551574552909225,
10.240950000000002
],
[
2.0406010015533176,
1.4497595482220447,
3.4136500000000023
],
[
9.661047614285387e-17,
0.8373493195025011,
12.1213659298
],
[
2.0406010015533176,
4.467567684010466,
1.5332340702000034
... | [
[
4.081202003106635,
0,
1.1561104348879745e-15
],
[
-2.040601001553317,
5.3049170035129665,
3.4803568345766094e-16
],
[
0,
0,
13.6546
]
] | [
39,
39,
39,
39,
39,
39,
26,
26,
26,
26,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.642005 | 0 | 0.003047 | 63 | 63 | [
"Fe",
"Si",
"Y"
] |
mp-1225137 | mp-1225137 | EuMgGa3 | # generated using pymatgen
data_EuMgGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34455100
_cell_length_b 4.34455100
_cell_length_c 6.47963474
_cell_angle_alpha 70.41247057
_cell_angle_beta 70.41247057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuMgGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34455100
_cell_length_b 4.34455100
_cell_length_c 11.41019001
_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
],
[
2.9402808967203593,
1.0150471163851658,
1.783321838618136
],
[
1.3955196021049774,
1.5849838916700392,
3.921780775153819
],
[
2.179336420454938,
2.4752045738706223,
-0.35513743208590925
],
[
0.6345751258395568,
3.0451413491554957... | [
[
4.09313378216076,
0,
-1.4564955313818684
],
[
-0.518277759600844,
4.060188465540661,
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],
[
0,
0,
6.479635074168372
]
] | [
63,
12,
31,
31,
31
] | [
1,
1,
1
] | -0.424545 | 0 | 0 | 119 | 119 | [
"Eu",
"Ga",
"Mg"
] |
mp-1205912 | mp-1205912 | K3LuF6 | # generated using pymatgen
data_K3LuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57507766
_cell_length_b 6.57507766
_cell_length_c 6.57507766
_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_K3LuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.29856400
_cell_length_b 9.29856400
_cell_length_c 9.29856400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8980614284718471,
1.3421321071810675,
3.2875388299999986
],
[
5.694184285415542,
4.026396321543205,
9.86261649
],
[
3.7961228569436942,
2.6842642143621362,
6.575077660000001
],
[
0,
0,
0
],
[
5.866384010452221,
4.148159914835099,
6.5750... | [
[
5.694184285415542,
0,
3.287538830000001
],
[
1.8980614284718471,
5.3685284287242725,
3.2875388300000004
],
[
0,
0,
6.57507766
]
] | [
19,
19,
19,
71,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.580702 | 6.0081 | 0.05794 | 225 | 225 | [
"F",
"K",
"Lu"
] |
mp-19378 | mp-19378 | CrAgO2 | # generated using pymatgen
data_CrAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06222236
_cell_length_b 3.06222266
_cell_length_c 12.61712460
_cell_angle_alpha 96.97012749
_cell_angle_beta 89.99999756
_cell_angle_gamma 119.99999930
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CrAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06222260
_cell_length_b 3.06222260
_cell_length_c 18.73896267
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.402503456977049,
1.984011016023859,
10.020253164324775
],
[
1.13416781899235,
0.6613370053412865,
3.340084388108257
],
[
0,
0,
0
],
[
2.2683356379846993,
1.322674010682573,
6.680168776216517
],
[
2.0115267899859695,
1.1729261498891346,
... | [
[
3.0395913454639025,
0,
0.3716064474181149
],
[
1.4970799305054963,
2.645348021365146,
0.3716063907162167
],
[
0,
0,
12.617124714298702
]
] | [
24,
24,
47,
47,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.687331 | 1.6956 | 0 | 166 | 166 | [
"Cr",
"Ag",
"O"
] |
mp-7936 | mp-7936 | LiNbS2 | # generated using pymatgen
data_LiNbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38346779
_cell_length_b 3.38346779
_cell_length_c 12.94769500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999592
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiNbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38346779
_cell_length_b 3.38346779
_cell_length_c 12.94769500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
6.4738475
],
[
0,
0,
9.71077125
],
[
0,
0,
3.2369237499999985
],
[
1.6917339993278373,
0.9767229995975614,
11.2914258556
],
[
1.6917339993278373,
0.9767229995975614,
8.130116644400001
],
[
-8.255... | [
[
3.3834679986556755,
0,
9.584584777665445e-16
],
[
-1.6917339993278386,
2.930168998792684,
2.0717764995208345e-16
],
[
0,
0,
12.947695
]
] | [
3,
3,
41,
41,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.554922 | 0.806 | 0 | 194 | 194 | [
"Li",
"Nb",
"S"
] |
mp-999141 | mp-999141 | TbAu | # generated using pymatgen
data_TbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84276015
_cell_length_b 5.84276015
_cell_length_c 4.70015100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.69545614
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73730800
_cell_length_b 11.07176199
_cell_length_c 4.70015100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
3.0484336984190437,
3.52511325,
3.188214118462343
],
[
0.49257975902461515,
1.17503775,
1.4592658292761023
],
[
2.083071986610381,
3.52511325,
0.32833339229659514
],
[
1.4579414708332772,
1.17503775,
4.319146555441851
]
] | [
[
3.541013457443658,
0,
-1.1952802022615558
],
[
7.558419280000292e-16,
4.700151,
2.8780124388296155e-16
],
[
0,
0,
5.84276015
]
] | [
65,
65,
79,
79
] | [
1,
1,
1
] | -0.874899 | 0 | 0 | 63 | 63 | [
"Au",
"Tb"
] |
mp-1181926 | mp-1181926 | CaH2 | # generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78750200
_cell_length_b 5.36071200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca... | # generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78750200
_cell_length_b 5.36071200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca... | [
[
0.9468754999999998,
4.01227850352,
3.93836992689
],
[
0.9468754999999999,
1.33192250352,
6.08615857311
],
[
2.8406265,
1.34843349648,
2.74464907311
],
[
2.8406264999999995,
4.02878949648,
0.5968604268900004
],
[
0.9468754999999998,
4.07444668... | [
[
3.787502,
0,
2.319176100532099e-16
],
[
-3.2824893959754033e-16,
5.360712,
3.2824893959754033e-16
],
[
0,
0,
6.683019
]
] | [
20,
20,
20,
20,
1,
1,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.618517 | 0.8037 | 0.055497 | 62 | 62 | [
"Ca",
"H"
] |
mp-1216308 | mp-1216308 | UCrFe | # generated using pymatgen
data_UCrFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08658101
_cell_length_b 5.08658101
_cell_length_c 5.08658101
_cell_angle_alpha 128.34690243
_cell_angle_beta 118.71380348
_cell_angle_gamma 84.21153249
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_UCrFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43192000
_cell_length_b 5.18514600
_cell_length_c 7.54755401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
3.933781085423596,
1.6601802518667257,
7.131939398880012
],
[
1.3345610690616312,
2.6136010208783302,
2.3291702473287543
],
[
3.989246557959288,
3.8516505193490856e-17,
4.474048599852311
],
[
1.9946232789796439,
2.960708559543515e-16,
3.5086695524084983
... | [
[
3.989246557959288,
0,
1.9307580948876246
],
[
1.279095596525939,
4.2737812727450555,
2.443770541391769
],
[
0,
0,
5.086581009929372
]
] | [
92,
92,
24,
24,
26,
26
] | [
1,
1,
1
] | 0.007852 | 0 | 0.058744 | 74 | 74 | [
"Cr",
"Fe",
"U"
] |
mp-17813 | mp-17813 | ZrAu4 | # generated using pymatgen
data_ZrAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96424900
_cell_length_b 5.08360500
_cell_length_c 14.76259700
_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_ZrAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96424900
_cell_length_b 5.08360500
_cell_length_c 14.76259700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2410622499999997,
3.369225300615,
13.309426001708001
],
[
1.24106225,
0.8274228006150001,
8.834469498292
],
[
3.7231867499999995,
4.256182199385,
5.9281275017079995
],
[
3.72318675,
1.7143796993850002,
1.4531709982920002
],
[
1.24106225,
0.... | [
[
4.964249,
0,
3.0397258240102243e-16
],
[
-3.1128102956897406e-16,
5.083605,
3.1128102956897406e-16
],
[
0,
0,
14.762597
]
] | [
40,
40,
40,
40,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.413816 | 0 | 0 | 62 | 62 | [
"Au",
"Zr"
] |
mp-1178351 | mp-1178351 | EuVO3 | # generated using pymatgen
data_EuVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48374200
_cell_length_b 5.55807800
_cell_length_c 7.74553000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_EuVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48374200
_cell_length_b 5.55807800
_cell_length_c 7.74553000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
5.4436668134640005,
0.219193922086,
1.9363825000000003
],
[
2.7017958134640003,
2.559845077914,
5.8091475
],
[
2.781946186536,
2.9982329220860002,
1.9363825000000003
],
[
0.04007518653599968,
5.338884077914,
5.8091475
],
[
2.741871,
0,
1.... | [
[
5.483742,
0,
3.357823543824953e-16
],
[
-3.4033412160556613e-16,
5.558078,
3.4033412160556613e-16
],
[
0,
0,
7.74553
]
] | [
63,
63,
63,
63,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.959872 | 0 | 0 | 62 | 62 | [
"Eu",
"O",
"V"
] |
mp-20716 | mp-20716 | PbSeO3 | # generated using pymatgen
data_PbSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61486700
_cell_length_b 4.59801700
_cell_length_c 6.75887155
_cell_angle_alpha 73.14119141
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PbSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59801700
_cell_length_b 5.61486700
_cell_length_c 6.75887155
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.85880859
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7906004022922595,
1.40371675,
1.2156420897365527
],
[
1.6098045406996868,
4.211150250000001,
4.209739051606138
],
[
0.3810706676581593,
4.211150250000001,
0.9920905861276362
],
[
4.0193342753337875,
1.40371675,
4.433290555215054
],
[
3.51896862... | [
[
4.400404942991947,
0,
-1.3334904086573105
],
[
-3.438114449594051e-16,
5.614867,
3.438114449594051e-16
],
[
0,
0,
6.75887155
]
] | [
82,
82,
34,
34,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.455733 | 2.8941 | 0 | 11 | 11 | [
"Pb",
"Se",
"O"
] |
mp-8456 | mp-8456 | SrAsPt | # generated using pymatgen
data_SrAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30164985
_cell_length_b 4.30164985
_cell_length_c 9.09908500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999763
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30164985
_cell_length_b 4.30164985
_cell_length_c 9.09908500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
4.5495425
],
[
0,
0,
0
],
[
2.150825002048007,
1.2417793346006107,
2.27477125
],
[
1.1158046709572508e-15,
2.483558669201222,
6.824313750000001
],
[
2.150825002048007,
1.2417793346006107,
6.824313750000002
],
[
1.11580467095... | [
[
4.301650004096012,
0,
1.2185582711136773e-15
],
[
-2.1508250020480046,
3.725338003801833,
2.6340008599275964e-16
],
[
0,
0,
9.099085
]
] | [
38,
38,
33,
33,
78,
78
] | [
1,
1,
1
] | -1.011278 | 0 | 0 | 194 | 194 | [
"Sr",
"As",
"Pt"
] |
mp-865415 | mp-865415 | YbTmPt2 | # generated using pymatgen
data_YbTmPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85824927
_cell_length_b 4.85824927
_cell_length_c 4.85824927
_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_YbTmPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87060201
_cell_length_b 6.87060201
_cell_length_c 6.87060201
_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
],
[
2.804911523824803,
1.98337195912481,
4.85824927
],
[
4.207367285737204,
2.9750579386872156,
7.287373905000001
],
[
1.402455761912401,
0.9916859795624039,
2.429124635
]
] | [
[
4.207367285737204,
0,
2.4291246350000004
],
[
1.4024557619124016,
3.966743918249621,
2.4291246350000004
],
[
0,
0,
4.85824927
]
] | [
70,
69,
78,
78
] | [
1,
1,
1
] | -1.20133 | 0 | 0 | 225 | 225 | [
"Pt",
"Tm",
"Yb"
] |
mp-1105793 | mp-1105793 | Mg2B2AsIr5 | # generated using pymatgen
data_Mg2B2AsIr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.48834700
_cell_length_b 9.48834700
_cell_length_c 2.98909000
_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_Mg2B2AsIr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.48834700
_cell_length_b 9.48834700
_cell_length_c 2.98909000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.9890899999999996,
7.824707678754999,
3.0805341787550002
],
[
-1.0186852848491818e-16,
1.6636393212449998,
6.407812821245
],
[
-1.8862831608381647e-16,
3.0805341787549994,
1.663639321245
],
[
2.9890899999999996,
6.407812821244999,
7.824707678755
],
... | [
[
2.98909,
0,
1.830289750431681e-16
],
[
-5.809936891374695e-16,
9.488347,
5.809936891374695e-16
],
[
0,
0,
9.488347
]
] | [
12,
12,
12,
12,
5,
5,
5,
5,
33,
33,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.429387 | 0 | 0 | 127 | 127 | [
"As",
"B",
"Ir",
"Mg"
] |
mp-754787 | mp-754787 | SmTlO3 | # generated using pymatgen
data_SmTlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70209600
_cell_length_b 6.07196300
_cell_length_c 8.64172200
_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_SmTlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70209600
_cell_length_b 6.07196300
_cell_length_c 8.64172200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.565211483424,
0.41966372274499997,
2.1604305000000004
],
[
2.714163483424,
2.6163177772550004,
6.4812915
],
[
2.987932516576,
3.4556452227450003,
2.1604305000000004
],
[
0.13688451657599968,
5.652299277255,
6.4812915
],
[
2.851048,
0,
1... | [
[
5.702096,
0,
3.4915268074154633e-16
],
[
-3.7180050262455804e-16,
6.071963,
3.7180050262455804e-16
],
[
0,
0,
8.641722
]
] | [
62,
62,
62,
62,
81,
81,
81,
81,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.409804 | 0.8895 | 0.073157 | 62 | 62 | [
"O",
"Sm",
"Tl"
] |
mp-777780 | mp-777780 | Li3MnF6 | # generated using pymatgen
data_Li3MnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90677200
_cell_length_b 6.11287560
_cell_length_c 6.17208886
_cell_angle_alpha 90.90869403
_cell_angle_beta 90.15761702
_cell_angle_gamma 91.80484763
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3MnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90677200
_cell_length_b 6.11287560
_cell_length_c 6.17208886
_cell_angle_alpha 90.90869403
_cell_angle_beta 90.15761702
_cell_angle_gamma 91.80484763
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4534770774360088,
0.30067598146289476,
3.3376550892613235
],
[
5.453261920180466,
2.7082097879295355,
4.679303300511275
],
[
2.4812727846949665,
4.517806599035866,
5.68728914104795
],
[
3.2326824487781383,
1.591258813270501,
0.3716062623963659
],
[... | [
[
5.906749649826562,
0,
-0.016249130985132466
],
[
-0.19279441635345737,
6.109065412306367,
-0.09694432557055103
],
[
0,
0,
6.17208886
]
] | [
3,
3,
3,
3,
3,
3,
25,
25,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.00883 | 1.3653 | 0.022942 | 2 | 2 | [
"F",
"Li",
"Mn"
] |
mp-21419 | mp-21419 | CeMg2 | # generated using pymatgen
data_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09889781
_cell_length_b 6.09889781
_cell_length_c 6.09889781
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62514400
_cell_length_b 8.62514400
_cell_length_c 8.62514400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0,
0,
0
],
[
5.28180043854528,
3.7347969069694478,
9.148346715000002
],
[
5.28180043854528,
1.867398453484724,
6.098897810000003
],
[
2.64090021927264,
1.8673984534847252,
7.623622262500002
],
[
2.64090021927264,
1.867398453484724,
4.5741... | [
[
5.281800438545279,
0,
3.049448905000001
],
[
1.7606001461817598,
4.979729209292596,
3.049448905000001
],
[
0,
0,
6.09889781
]
] | [
58,
58,
12,
12,
12,
12
] | [
1,
1,
1
] | 0.018563 | 0 | 0.043637 | 227 | 227 | [
"Ce",
"Mg"
] |
mp-12410 | mp-12410 | Ba2TbIrO6 | # generated using pymatgen
data_Ba2TbIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98488250
_cell_length_b 5.98488250
_cell_length_c 5.98488250
_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_Ba2TbIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46390200
_cell_length_b 8.46390200
_cell_length_c 8.46390200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7276867612216418,
1.2216590246260437,
2.992441250000001
],
[
5.183060283664921,
3.664977073878135,
8.97732375
],
[
3.455373522443282,
2.4433180492520896,
5.984882500000001
],
[
0,
0,
0
],
[
5.285608859063994,
3.7374898669438372,
5.98488... | [
[
5.18306028366492,
0,
2.99244125
],
[
1.7276867612216402,
4.886636098504181,
2.99244125
],
[
0,
0,
5.984882499999999
]
] | [
56,
56,
65,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.770777 | 0 | 0 | 225 | 225 | [
"Ba",
"Ir",
"O",
"Tb"
] |
mp-1208039 | mp-1208039 | TlGa(SO4)2 | # generated using pymatgen
data_TlGa(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87420804
_cell_length_b 4.87420804
_cell_length_c 8.65623400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000057
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TlGa(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87420804
_cell_length_b 4.87420804
_cell_length_c 8.65623400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
4.328117
],
[
0,
0,
0
],
[
2.127341264632049e-16,
2.8141253320619803,
1.7663911100400007
],
[
2.437103999003016,
1.4070626660309904,
6.8898428899600015
],
[
-0.4396170048601587,
1.4743385532819298,
1.2720595550020002
],
[
1.... | [
[
4.874207998006032,
0,
1.3807507503965029e-15
],
[
-2.4371039990030163,
4.221187998092971,
2.984591637282147e-16
],
[
0,
0,
8.656234
]
] | [
81,
31,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.944433 | 4.3111 | 0.006104 | 150 | 150 | [
"Ga",
"O",
"S",
"Tl"
] |
mp-1095528 | mp-1095528 | Ho(Ge2Rh3)2 | # generated using pymatgen
data_Ho(Ge2Rh3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22756757
_cell_length_b 7.22756757
_cell_length_c 3.84323600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999607
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ho(Ge2Rh3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22756757
_cell_length_b 7.22756757
_cell_length_c 3.84323600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
1.9216180000000005,
1.2290051848082568,
2.1286992542550163
],
[
1.9216180000000005,
1.2290051848082562,
5.098868147146517
],
[
1.9216180000000016,
3.8012470014466704,
3.6137835242670007
],
[
3.843236000000002,
4.172838247375456,
... | [
[
3.843236,
0,
2.3533033328839386e-16
],
[
2.3963996849380288e-15,
6.259257371063183,
-3.6137842143314662
],
[
0,
0,
7.22756757
]
] | [
67,
32,
32,
32,
32,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.737978 | 0 | 0 | 187 | 187 | [
"Ge",
"Ho",
"Rh"
] |
mp-1222604 | mp-1222604 | Li2TlCd | # generated using pymatgen
data_Li2TlCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87574167
_cell_length_b 4.87574167
_cell_length_c 4.87574167
_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_Li2TlCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89534000
_cell_length_b 6.89534000
_cell_length_c 6.89534000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.222516148510362,
2.9857698022813803,
7.313612505
],
[
0,
0,
0
],
[
2.8150107656735743,
1.9905132015209208,
4.87574167
],
[
1.4075053828367876,
0.99525660076046,
2.437870835
]
] | [
[
4.222516148510363,
0,
2.4378708350000005
],
[
1.4075053828367874,
3.98102640304184,
2.437870835
],
[
0,
0,
4.875741669999999
]
] | [
3,
3,
81,
48
] | [
1,
1,
1
] | -0.234473 | 0 | 0.015098 | 216 | 216 | [
"Cd",
"Li",
"Tl"
] |
mp-1225172 | mp-1225172 | EuCo2SiGe | # generated using pymatgen
data_EuCo2SiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83656712
_cell_length_b 5.83656712
_cell_length_c 5.83656712
_cell_angle_alpha 140.31899660
_cell_angle_beta 140.31899660
_cell_angle_gamma 57.36926671
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_EuCo2SiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96189600
_cell_length_b 3.96189600
_cell_length_c 10.24054799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.237877407678464,
3.6908354567742876,
3.137075177769202
],
[
2.6871061399561333,
0.9389816592580383,
1.6106355631239793
],
[
0.5811509230382892,
2.7864833695744196,
1.6106355632899876
],
[
1.1769555623186385,
1.341604011983867,
3.2618832916808453
],
... | [
[
3.726722145852916,
0,
-1.3446791216190466
],
[
-0.485188287982774,
3.6950034206327627,
-1.3446791212870295
],
[
0,
0,
5.836567120000001
]
] | [
63,
27,
27,
14,
32
] | [
1,
1,
1
] | -0.569361 | 0 | 0 | 107 | 107 | [
"Co",
"Eu",
"Ge",
"Si"
] |
mp-1187217 | mp-1187217 | SrPmPt2 | # generated using pymatgen
data_SrPmPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11361522
_cell_length_b 5.11361522
_cell_length_c 5.11361522
_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_SrPmPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23174400
_cell_length_b 7.23174400
_cell_length_c 7.23174400
_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
],
[
2.9523471237991674,
2.0876246716549915,
5.11361522
],
[
4.428520685698751,
3.1314370074824867,
7.670422830000001
],
[
1.4761735618995837,
1.0438123358274953,
2.55680761
]
] | [
[
4.428520685698751,
0,
2.5568076100000003
],
[
1.4761735618995837,
4.175249343309981,
2.5568076100000003
],
[
0,
0,
5.11361522
]
] | [
38,
61,
78,
78
] | [
1,
1,
1
] | -0.899817 | 0 | 0 | 225 | 225 | [
"Pm",
"Pt",
"Sr"
] |
mp-11369 | mp-11369 | ErHg2 | # generated using pymatgen
data_ErHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94211017
_cell_length_b 4.94211017
_cell_length_c 3.41582100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000222
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94211017
_cell_length_b 4.94211017
_cell_length_c 3.41582100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.7079105000000012,
2.8533285731847746,
1.1055595392972314e-7
],
[
1.7079105000000006,
1.4266642865923866,
2.471055140277978
]
] | [
[
3.415821,
0,
2.0915871270551556e-16
],
[
1.6386246694573684e-15,
4.279992859777162,
-2.4710549191660696
],
[
0,
0,
4.94211017
]
] | [
68,
80,
80
] | [
1,
1,
1
] | -0.35642 | 0 | 0.022324 | 191 | 191 | [
"Er",
"Hg"
] |
mp-20914 | mp-20914 | NdIn2Ir | # generated using pymatgen
data_NdIn2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65825764
_cell_length_b 5.65825764
_cell_length_c 8.07291200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.92600893
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdIn2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42844000
_cell_length_b 10.41404999
_cell_length_c 8.07291200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-3.286988958845651e-16,
0.7286085937701399,
2.018228
],
[
2.2142199985515005,
4.478416403157853,
6.054684000000002
],
[
-3.5062623508795467e-16,
3.6975188643685617,
3.620749469472001
],
[
2.2142199985515,
1.5095061325594312,
4.452162530528001
],
[
... | [
[
4.428439997103001,
0,
1.254474952974358e-15
],
[
-2.214219998551501,
5.207024996927993,
3.4646835537885285e-16
],
[
0,
0,
8.072912
]
] | [
60,
60,
49,
49,
49,
49,
77,
77
] | [
1,
1,
1
] | -0.530296 | 0 | 0 | 63 | 63 | [
"In",
"Ir",
"Nd"
] |
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