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-20984 | mp-20984 | Ce3In | # generated using pymatgen
data_Ce3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81498200
_cell_length_b 4.81498200
_cell_length_c 4.81498200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Ce3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81498200
_cell_length_b 4.81498200
_cell_length_c 4.81498200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
2.407491,
2.407491,
2.94832614712606e-16
],
[
2.407491,
0,
2.407491
],
[
-1.47416307356303e-16,
2.407491,
2.407491
],
[
0,
0,
0
]
] | [
[
4.814982,
0,
2.94832614712606e-16
],
[
-2.94832614712606e-16,
4.814982,
2.94832614712606e-16
],
[
0,
0,
4.814982
]
] | [
58,
58,
58,
49
] | [
1,
1,
1
] | -0.203526 | 0 | 0 | 221 | 221 | [
"Ce",
"In"
] |
mp-1114642 | mp-1114642 | Rb2LiGaF6 | # generated using pymatgen
data_Rb2LiGaF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89022636
_cell_length_b 5.89022636
_cell_length_c 5.89022636
_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_Rb2LiGaF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33003800
_cell_length_b 8.33003800
_cell_length_c 8.33003800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.101085661800743,
3.6070122628727734,
8.835339539999998
],
[
1.7003618872669146,
1.2023374209575917,
2.94511318
],
[
3.4007237745338292,
2.404674841915183,
5.890226359999998
],
[
0,
0,
0
],
[
1.590144429734273,
1.1244019093311206,
5.8902... | [
[
5.101085661800744,
0,
2.9451131799999994
],
[
1.7003618872669135,
4.809349683830365,
2.945113179999999
],
[
0,
0,
5.890226359999999
]
] | [
37,
37,
3,
31,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.077587 | 5.9844 | 0.013793 | 225 | 225 | [
"F",
"Ga",
"Li",
"Rb"
] |
mp-1217848 | mp-1217848 | Tb(CuS)3 | # generated using pymatgen
data_Tb(CuS)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46010886
_cell_length_b 7.46010886
_cell_length_c 7.46010800
_cell_angle_alpha 53.28131514
_cell_angle_beta 53.28131514
_cell_angle_gamma 53.28131290
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tb(CuS)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69012794
_cell_length_b 6.69012794
_cell_length_c 19.14694609
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
6.849368094022394,
4.622285268605384,
8.726661548469925
],
[
1.3680230623160716,
0.9232082085900125,
4.733064444686726
],
[
3.099019293402529,
3.456844359438,
3.6964497458688976
],
[
5.8787897982852035,
5.3314928839104265,
5.725562548480429
],
[
... | [
[
5.979879346870314,
0,
2.9998089965783246
],
[
2.237511809468152,
5.5454934771953965,
2.9998089965783246
],
[
0,
0,
7.460108
]
] | [
65,
65,
29,
29,
29,
29,
29,
29,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.069364 | 1.4056 | 0 | 148 | 148 | [
"Cu",
"S",
"Tb"
] |
mp-1030566 | mp-1030566 | MoW3(SeS)4 | # generated using pymatgen
data_MoW3(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25283857
_cell_length_b 3.25283857
_cell_length_c 36.88341700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001158
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_MoW3(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25283857
_cell_length_b 3.25283857
_cell_length_c 36.88341700
_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,
33.419695309530006
],
[
0,
0,
19.560862022031
],
[
1.6264190003251582,
0.9390136667956408,
26.489817623068003
],
[
1.6264190003251582,
0.9390136667956408,
12.630910568734999
],
[
1.6264190003251582,
0.9390136667956408,
35.1179922452... | [
[
3.2528380006503177,
0,
9.214540110215929e-16
],
[
-1.6264190003251597,
2.8170410003869226,
1.9917891714467768e-16
],
[
0,
0,
36.883417
]
] | [
42,
74,
74,
74,
34,
34,
34,
34,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.027555 | 0.8016 | 0.076525 | 156 | 156 | [
"Mo",
"S",
"Se",
"W"
] |
mp-1104503 | mp-1104503 | YGa3Ru | # generated using pymatgen
data_YGa3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46352200
_cell_length_b 6.46352200
_cell_length_c 6.46352200
_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_YGa3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46352200
_cell_length_b 6.46352200
_cell_length_c 6.46352200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.231761,
3.231761,
3.9577657642592492e-16
],
[
3.231761,
0,
3.231761
],
[
-1.9788828821296246e-16,
3.231761,
3.231761
],
[
3.231761,
3.231761,
3.2317610000000005
],
[
1.349512294858,
1.349512294858,
5.114009705142
],
[
1.34951229... | [
[
6.463522,
0,
3.9577657642592492e-16
],
[
-3.9577657642592492e-16,
6.463522,
3.9577657642592492e-16
],
[
0,
0,
6.463522
]
] | [
39,
39,
39,
31,
31,
31,
31,
31,
31,
31,
31,
31,
44,
44,
44
] | [
1,
1,
1
] | -0.588951 | 0 | 0 | 221 | 221 | [
"Ga",
"Ru",
"Y"
] |
mp-28066 | mp-28066 | ThBrN | # generated using pymatgen
data_ThBrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06090500
_cell_length_b 4.06090500
_cell_length_c 8.69248700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_ThBrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06090500
_cell_length_b 4.06090500
_cell_length_c 8.69248700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
-1.2432935774728707e-16,
2.0304525,
7.526920110657
],
[
2.0304525,
0,
1.1655668893430002
],
[
2.0304525,
0,
5.790204670492001
],
[
-1.2432935774728707e-16,
2.0304525,
2.902282329508
],
[
0,
0,
0
],
[
2.0304525,
2.0304525,
... | [
[
4.060905,
0,
2.4865871549457414e-16
],
[
-2.4865871549457414e-16,
4.060905,
2.4865871549457414e-16
],
[
0,
0,
8.692487
]
] | [
90,
90,
35,
35,
7,
7
] | [
1,
1,
1
] | -2.264307 | 2.6434 | 0 | 129 | 129 | [
"Th",
"Br",
"N"
] |
mp-1078340 | mp-1078340 | Ce(AlPd)2 | # generated using pymatgen
data_Ce(AlPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30865300
_cell_length_b 4.30865300
_cell_length_c 10.38339000
_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_Ce(AlPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30865300
_cell_length_b 4.30865300
_cell_length_c 10.38339000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.31914452627166e-16,
2.1543265,
2.58788343987
],
[
2.1543265,
0,
7.79550656013
],
[
-1.31914452627166e-16,
2.1543265,
6.49480006161
],
[
2.1543265,
0,
3.88858993839
],
[
0,
0,
0
],
[
2.1543265,
2.1543265,
2.6382890525433... | [
[
4.308653,
0,
2.63828905254332e-16
],
[
-2.63828905254332e-16,
4.308653,
2.63828905254332e-16
],
[
0,
0,
10.38339
]
] | [
58,
58,
13,
13,
13,
13,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.814901 | 0 | 0.020248 | 129 | 129 | [
"Al",
"Ce",
"Pd"
] |
mp-1027795 | mp-1027795 | Mo3W(SeS3)2 | # generated using pymatgen
data_Mo3W(SeS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22166771
_cell_length_b 3.22166771
_cell_length_c 37.12696900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999412
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Mo3W(SeS3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22166771
_cell_length_b 3.22166771
_cell_length_c 37.12696900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.6108339981647397,
0.9300153322519443,
33.660089761749006
],
[
4.296871746621019e-16,
1.8600306645038884,
26.666371230312002
],
[
4.296871746621019e-16,
1.8600306645038884,
12.673810645716001
],
[
1.6108339981647397,
0.9300153322519443,
19.7088143666809... | [
[
3.221667996329479,
0,
9.126242674256146e-16
],
[
-1.610833998164739,
2.7900459967558326,
1.9727025244839418e-16
],
[
0,
0,
37.126969
]
] | [
42,
42,
42,
74,
34,
34,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.126026 | 0.7651 | 0.032742 | 156 | 156 | [
"Mo",
"S",
"Se",
"W"
] |
mp-1078249 | mp-1078249 | Co(RhSe2)2 | # generated using pymatgen
data_Co(RhSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37955064
_cell_length_b 6.37955064
_cell_length_c 6.42991851
_cell_angle_alpha 60.94337471
_cell_angle_beta 60.94337471
_cell_angle_gamma 34.00046779
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Co(RhSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.20157401
_cell_length_b 3.73045000
_cell_length_c 6.42991851
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.52176867
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
1.8652250008610123,
2.4955137620403445,
3.158834098804991
],
[
-1.6266402334805899e-15,
2.7599254180700585,
0.17270401352788295
],
[
1.8652250008610123,
1.354337187592811,
5.459825869972957
],
[
-2.1148982837940352e-15,
3.9011019... | [
[
3.7304500017220263,
0,
2.284241826994059e-16
],
[
-1.8652250008610154,
5.255439180110405,
-3.098380397667127
],
[
0,
0,
6.42991851
]
] | [
27,
45,
45,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.588894 | 0 | 0.053523 | 12 | 12 | [
"Co",
"Rh",
"Se"
] |
mp-1226072 | mp-1226072 | Co4H | # generated using pymatgen
data_Co4H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53328374
_cell_length_b 2.53328374
_cell_length_c 8.15319000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999324
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Co4H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53328374
_cell_length_b 2.53328374
_cell_length_c 8.15319000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
1.2666419994221259,
0.7312959997040493,
1.0921850260200008
],
[
1.2666419994221259,
0.7312959997040493,
5.072327788320001
],
[
5.4279395835641665e-17,
1.462591999408099,
7.06100497398
],
[
5.4279395835641665e-17,
1.462591999408099,
3.0808622116799995
]... | [
[
2.5332839988442513,
0,
7.176209517120662e-16
],
[
-1.2666419994221256,
2.1938879991121483,
1.5511889117615177e-16
],
[
0,
0,
8.15319
]
] | [
27,
27,
27,
27,
1
] | [
1,
1,
1
] | -0.029057 | 0 | 0.003881 | 164 | 164 | [
"Co",
"H"
] |
mp-755070 | mp-755070 | CeSmO2 | # generated using pymatgen
data_CeSmO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97351503
_cell_length_b 6.09622801
_cell_length_c 4.98385206
_cell_angle_alpha 65.86437553
_cell_angle_beta 89.99007934
_cell_angle_gamma 114.06145878
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeSmO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97868354
_cell_length_b 4.97868354
_cell_length_c 9.95394511
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.4380932052469981,
3.335239657068445,
5.080502195338591
],
[
1.799890279294952,
2.2312154342418067,
2.040225061548381
],
[
4.526908590366102,
0.0017693910099355879,
2.0373034826944623
],
[
3.1724450800457604,
1.1061501661811466,
5.081802135820746
],
... | [
[
4.540946797598086,
0,
2.0287074542721983
],
[
-0.9090062408547364,
4.456904307142755,
2.036784968283529
],
[
0,
0,
6.095566509703077
]
] | [
58,
58,
62,
62,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.16601 | 0 | 0.060218 | 141 | 141 | [
"Ce",
"O",
"Sm"
] |
mp-636328 | mp-636328 | TiPd3 | # generated using pymatgen
data_TiPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93200800
_cell_length_b 3.93200800
_cell_length_c 3.93200800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TiPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93200800
_cell_length_b 3.93200800
_cell_length_c 3.93200800
_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
],
[
-1.2038302528554467e-16,
1.966004,
1.9660040000000003
],
[
1.966004,
0,
1.9660040000000003
],
[
1.9660039999999999,
1.966004,
2.4076605057108933e-16
]
] | [
[
3.932008,
0,
2.4076605057108933e-16
],
[
-2.4076605057108933e-16,
3.932008,
2.4076605057108933e-16
],
[
0,
0,
3.932008
]
] | [
22,
46,
46,
46
] | [
1,
1,
1
] | -0.641221 | 0 | 0.008431 | 221 | 221 | [
"Ti",
"Pd"
] |
mp-1104653 | mp-1104653 | Er3FeGe3 | # generated using pymatgen
data_Er3FeGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57730245
_cell_length_b 5.57730245
_cell_length_c 13.49420800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.29549651
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Er3FeGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06140000
_cell_length_b 10.38894800
_cell_length_c 13.49420800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.169965599919031e-16,
2.1602259020797208,
8.101814529536002
],
[
2.0306999999018482,
3.034248097198229,
5.3923934704639995
],
[
1.169965599919031e-16,
2.1602259020797208,
12.139497470464
],
[
2.0306999999018482,
3.034248097198229,
1.3547105295360002
]... | [
[
4.061399999803695,
0,
1.1505009838897665e-15
],
[
-2.030699999901846,
5.19447399927795,
3.415112796634596e-16
],
[
0,
0,
13.494208
]
] | [
68,
68,
68,
68,
68,
68,
26,
26,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.662671 | 0 | 0.068213 | 63 | 63 | [
"Er",
"Fe",
"Ge"
] |
mp-753822 | mp-753822 | La2Se2O | # generated using pymatgen
data_La2Se2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50910500
_cell_length_b 7.49488100
_cell_length_c 9.03745513
_cell_angle_alpha 80.15385891
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_La2Se2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49488100
_cell_length_b 7.50910500
_cell_length_c 9.03745513
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.84614109
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8096419435755993,
3.36011423256,
7.434525119807638
],
[
5.501884544521489,
0.39443826743999993,
6.793701527232754
],
[
2.3992709334910525,
6.3952043643,
4.770206469486935
],
[
6.091513534436942,
4.8684531357,
4.129382876912049
],
[
1.2929716674... | [
[
7.38448520189178,
0,
-1.2816471851497686
],
[
-4.598000701355693e-16,
7.509105,
4.598000701355693e-16
],
[
0,
0,
9.03745513
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
34,
34,
34,
34,
34,
34,
34,
34,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.905303 | 2.153 | 0.001321 | 14 | 14 | [
"La",
"O",
"Se"
] |
mp-1030459 | mp-1030459 | Te2Mo2SeS | # generated using pymatgen
data_Te2Mo2SeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39788548
_cell_length_b 3.39788548
_cell_length_c 38.62552700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998996
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Te2Mo2SeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39788548
_cell_length_b 3.39788548
_cell_length_c 38.62552700
_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,
11.357256831444998
],
[
1.698942997822279,
0.9808849986588345,
36.870112674431
],
[
1.698942997822279,
0.9808849986588345,
33.124324942552
],
[
0,
0,
15.098564002192001
],
[
0,
0,
34.998010631795
],
[
0,
0,
20.484507... | [
[
3.397885995644558,
0,
9.625427639048788e-16
],
[
-1.6989429978222792,
2.9426549959765036,
2.0806047884756337e-16
],
[
0,
0,
38.625527
]
] | [
52,
52,
52,
52,
42,
42,
42,
42,
34,
34,
16,
16
] | [
1,
1,
1
] | -0.770236 | 0.5006 | 0.05544 | 156 | 156 | [
"Mo",
"S",
"Se",
"Te"
] |
mp-1177859 | mp-1177859 | Li2SiNiO4 | # generated using pymatgen
data_Li2SiNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21868350
_cell_length_b 5.21502624
_cell_length_c 6.44368751
_cell_angle_alpha 90.12275466
_cell_angle_beta 90.23342965
_cell_angle_gamma 91.80114801
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li2SiNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26087753
_cell_length_b 7.49279452
_cell_length_c 6.44368751
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.9429114443718196,
0.9799777670747932,
1.603825284902533
],
[
3.5294171348300423,
1.6348697899916034,
3.2340274140191125
],
[
1.5246020250942722,
3.576673434184355,
0.020432036854447555
],
[
4.09967022576349,
4.2453567206200935,
4.872852076593582
],
... | [
[
5.215014271022601,
0,
0.01117304430925592
],
[
-0.16407325156873026,
5.2160603324238375,
0.021261462941965972
],
[
0,
0,
6.44368751
]
] | [
3,
3,
3,
3,
14,
14,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.429001 | 3.5592 | 0.037692 | 20 | 20 | [
"Li",
"Ni",
"O",
"Si"
] |
mp-6122 | mp-6122 | Ba2NdSbO6 | # generated using pymatgen
data_Ba2NdSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11480625
_cell_length_b 6.11480625
_cell_length_c 6.11480610
_cell_angle_alpha 60.29661560
_cell_angle_beta 60.29661560
_cell_angle_gamma 60.29661012
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ba2NdSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14220022
_cell_length_b 6.14220022
_cell_length_c 14.94449131
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7744341068170255,
1.2575406039956736,
3.0551194952583334
],
[
5.29671480055934,
3.7537792493384834,
9.119581609620655
],
[
0,
0,
0
],
[
3.535574453688182,
2.505659926667078,
6.087350552439494
],
[
2.9167149548981506,
3.6576721571912403,
... | [
[
5.311334446963374,
0,
3.029947502439494
],
[
1.7598144604129906,
5.0113198533341565,
3.029947502439494
],
[
0,
0,
6.1148061
]
] | [
56,
56,
60,
51,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.013437 | 3.7031 | 0 | 148 | 148 | [
"Ba",
"Nd",
"O",
"Sb"
] |
mp-754927 | mp-754927 | Li5Mn2Ni3O10 | # generated using pymatgen
data_Li5Mn2Ni3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07737651
_cell_length_b 5.09903579
_cell_length_c 7.69869470
_cell_angle_alpha 109.12573756
_cell_angle_beta 101.43908751
_cell_angle_gamma 100.70828539
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Li5Mn2Ni3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07737651
_cell_length_b 5.09903579
_cell_length_c 7.71662252
_cell_angle_alpha 70.49404581
_cell_angle_beta 71.29806018
_cell_angle_gamma 79.29171461
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
-0.10830214100988819,
4.198893840771028,
1.3775341662991096
],
[
1.5972217653765213,
1.3436499245848164,
5.1863953362190856
],
[
1.835919342808628,
2.3187448457471556,
2.5105470680230506
],
[
2.0745852718876243,
3.2938815048175734,
-0.1652891121252059
... | [
[
4.976520028754836,
0,
-1.006975981690599
],
[
-1.3046969995015736,
4.637545342038416,
-1.6706600275730308
],
[
0,
0,
7.6986947
]
] | [
3,
3,
3,
3,
3,
25,
25,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.836375 | 0.1816 | 0.014943 | 2 | 2 | [
"Li",
"Mn",
"Ni",
"O"
] |
mp-4386 | mp-4386 | Cu2SO5 | # generated using pymatgen
data_Cu2SO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72965583
_cell_length_b 5.72965583
_cell_length_c 7.85891285
_cell_angle_alpha 62.74351566
_cell_angle_beta 62.74351566
_cell_angle_gamma 68.10021961
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cu2SO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.49459200
_cell_length_b 6.41627200
_cell_length_c 7.85891285
_cell_angle_alpha 90.00000000
_cell_angle_beta 123.55542419
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3431663698100595,
4.584222554416353,
3.210739905108239
],
[
0.5533255147723625,
0.3993864234893647,
1.274936917213987
],
[
0.15624605515702905,
4.9836089779057176,
-1.9826096216996856
],
[
4.188491771716604,
2.4918044889528588,
5.0591623609741525
],
... | [
[
5.480491658850786,
0,
-1.6712770887916653
],
[
-2.583999774268364,
4.9836089779057176,
-1.146971077303853
],
[
0,
0,
7.303924988417744
]
] | [
29,
29,
29,
29,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.417183 | 0 | 0.01334 | 12 | 12 | [
"Cu",
"O",
"S"
] |
mp-1205691 | mp-1205691 | Ba2ZnOsO6 | # generated using pymatgen
data_Ba2ZnOsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79307413
_cell_length_b 5.79307413
_cell_length_c 5.79307413
_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_Ba2ZnOsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19264400
_cell_length_b 8.19264400
_cell_length_c 8.19264400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.016949362586434,
3.547518915154395,
8.689611195
],
[
1.67231645419548,
1.182506305051465,
2.8965370650000017
],
[
3.344632908390957,
2.36501261010293,
5.79307413
],
[
0,
0,
0
],
[
2.469783967808951,
3.6022358469017366,
4.277791315964161... | [
[
5.016949362586434,
0,
2.896537065
],
[
1.6723164541954771,
4.73002522020586,
2.896537065
],
[
0,
0,
5.793074129999999
]
] | [
56,
56,
30,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.295213 | 0 | 0 | 225 | 225 | [
"Ba",
"O",
"Os",
"Zn"
] |
mp-755164 | mp-755164 | Mn6O11F | # generated using pymatgen
data_Mn6O11F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.97458500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.80731326
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O11F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33706401
_cell_length_b 6.42699001
_cell_length_c 8.97458500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.030186611748524692,
4.479506815711534,
1.5653560902850006
],
[
4.508465697780976,
0.004359015680412985,
4.4872925
],
[
-0.030186611748524692,
4.479506815711534,
7.409228909715
],
[
2.135921787293807,
2.3437064557125717,
8.974585
],
[
2.2388283... | [
[
4.51288657,
0,
2.763346046432789e-16
],
[
-0.06358570642185135,
4.512438592560036,
2.763346046432789e-16
],
[
0,
0,
8.974585
]
] | [
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -1.855387 | 0 | 0.047318 | 38 | 38 | [
"F",
"Mn",
"O"
] |
mp-29770 | mp-29770 | Na3(Mn2Te3)2 | # generated using pymatgen
data_Na3(Mn2Te3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93055645
_cell_length_b 7.93055645
_cell_length_c 7.57952679
_cell_angle_alpha 89.43581906
_cell_angle_beta 89.43581906
_cell_angle_gamma 120.46423101
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Na3(Mn2Te3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87484400
_cell_length_b 13.76814201
_cell_length_c 7.57952679
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.13640089
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
7.620147916128543,
2.380429282801143,
3.8427010579751264
],
[
7.655857310600477,
4.45426772713076,
8.146882846505628
],
[
0,
0,
0
],
[
2.965438907432312,
6.742524286055959,
9.272747499595683
],
[
4.769142702385438,
2.283690981322566,
6.74... | [
[
7.579159338399883,
0,
0.07463299185718665
],
[
0.11768654992925406,
6.834697009931901,
3.9097614707663797
],
[
0,
0,
7.93055645
]
] | [
11,
11,
11,
25,
25,
25,
25,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.56858 | 0 | 0.021151 | 12 | 12 | [
"Mn",
"Na",
"Te"
] |
mp-1187877 | mp-1187877 | Yb2AgSb | # generated using pymatgen
data_Yb2AgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30312550
_cell_length_b 5.30312550
_cell_length_c 5.30312550
_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_Yb2AgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49975201
_cell_length_b 7.49975201
_cell_length_c 7.49975201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.592641402457052,
3.2474878792354787,
7.95468825
],
[
1.530880467485684,
1.082495959745159,
2.6515627499999987
],
[
3.0617609349713684,
2.1649919194903195,
5.3031255
],
[
0,
0,
0
]
] | [
[
4.592641402457053,
0,
2.6515627500000005
],
[
1.5308804674856835,
4.329983838980638,
2.6515627500000005
],
[
0,
0,
5.303125499999999
]
] | [
70,
70,
47,
51
] | [
1,
1,
1
] | -0.784218 | 0 | 0.010228 | 225 | 225 | [
"Ag",
"Sb",
"Yb"
] |
mp-1025274 | mp-1025274 | Cs2NpO4 | # generated using pymatgen
data_Cs2NpO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38372406
_cell_length_b 8.38372406
_cell_length_c 8.38372406
_cell_angle_alpha 149.54854990
_cell_angle_beta 149.54854990
_cell_angle_gamma 43.60448866
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2NpO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40350800
_cell_length_b 4.40350800
_cell_length_c 15.56809401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.373842564337447,
1.4796823499730525,
5.047622415078913
],
[
2.5603356289331547,
2.7575819373208805,
1.023181684662766
],
[
0,
0,
0
],
[
0.48580412583963367,
0.5232301059879167,
1.7848885007493815
],
[
3.448374067430968,
3.7140341813060163,
... | [
[
4.2489390484007155,
0,
-1.1564599799723083
],
[
-0.3147608551301136,
4.237264287293933,
-1.1564599802860125
],
[
0,
0,
8.38372406
]
] | [
55,
55,
93,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.847296 | 0.3679 | 0 | 139 | 139 | [
"Cs",
"Np",
"O"
] |
mp-1212882 | mp-1212882 | Dy5BiPd2 | # generated using pymatgen
data_Dy5BiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80290298
_cell_length_b 8.80290298
_cell_length_c 8.80290298
_cell_angle_alpha 127.09660785
_cell_angle_beta 127.09660785
_cell_angle_gamma 78.09312874
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Dy5BiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84238600
_cell_length_b 7.84238600
_cell_length_c 13.67327200
_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
],
[
2.641665125899685,
3.4014275164172494,
-3.493337272520607
],
[
3.8682397997192783,
6.701955086987498,
-3.753561131518347
],
[
1.415090452080093,
0.10089994584700199,
5.569789566477135
],
[
2.8941904560528373,
2.0054000294192167,
... | [
[
7.021368304367082,
0,
-3.4933372728329424
],
[
-1.7380380525677104,
6.802855032834499,
-3.493337272208272
],
[
0,
0,
8.802902980000002
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.694907 | 0 | 0 | 140 | 140 | [
"Bi",
"Dy",
"Pd"
] |
mp-10109 | mp-10109 | NpS | # generated using pymatgen
data_NpS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90792745
_cell_length_b 3.90792745
_cell_length_c 3.90792745
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpS... | # generated using pymatgen
data_NpS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52664400
_cell_length_b 5.52664400
_cell_length_c 5.52664400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpS... | [
[
0,
0,
0
],
[
2.256242965231028,
1.595404700719304,
3.9079274499999994
]
] | [
[
3.384364447846542,
0,
1.9539637249999995
],
[
1.1281214826155133,
3.190809401438607,
1.9539637249999993
],
[
0,
0,
3.9079274499999994
]
] | [
93,
16
] | [
1,
1,
1
] | -1.618304 | 0 | 0 | 225 | 225 | [
"Np",
"S"
] |
mp-1228220 | mp-1228220 | Ba4La2SbRuO12 | # generated using pymatgen
data_Ba4La2SbRuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11434400
_cell_length_b 6.13690949
_cell_length_c 10.61684525
_cell_angle_alpha 90.41675196
_cell_angle_beta 106.48357703
_cell_angle_gamma 119.49012290
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_Ba4La2SbRuO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11434400
_cell_length_b 6.13690949
_cell_length_c 10.61684525
_cell_angle_alpha 90.41675196
_cell_angle_beta 106.48357703
_cell_angle_gamma 119.49012290
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
1.039033800352786,
0.6708631791719022,
8.813639975298992
],
[
-0.5184679234810237,
3.3116231685378565,
3.5595803285946443
],
[
3.2177898598170547,
1.9467494539100365,
5.277740279102279
],
[
1.6602881359832464,
4.587509443275991,
0.023680632397930782
],... | [
[
5.86305121298983,
0,
-1.734887034995214
],
[
-3.163729276653798,
5.258372622447893,
-0.04463760730786501
],
[
0,
0,
10.61684525
]
] | [
56,
56,
56,
56,
57,
57,
51,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.905574 | 0.7581 | 0.000592 | 2 | 2 | [
"Ba",
"La",
"O",
"Ru",
"Sb"
] |
mp-1186973 | mp-1186973 | ScAg3 | # generated using pymatgen
data_ScAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75199657
_cell_length_b 4.75199657
_cell_length_c 4.75199657
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_ScAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72033800
_cell_length_b 6.72033800
_cell_length_c 6.72033800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
0,
0,
0
],
[
4.115349748316517,
2.909991713988962,
7.127994855
],
[
1.3717832494388393,
0.9699972379963211,
2.375998285
],
[
2.7435664988776782,
1.9399944759926409,
4.751996569999998
]
] | [
[
4.115349748316518,
0,
2.3759982849999997
],
[
1.3717832494388387,
3.8799889519852826,
2.3759982849999997
],
[
0,
0,
4.75199657
]
] | [
21,
47,
47,
47
] | [
1,
1,
1
] | -0.182603 | 0 | 0.055069 | 225 | 225 | [
"Ag",
"Sc"
] |
mp-30579 | mp-30579 | ErCu5 | # generated using pymatgen
data_ErCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94472418
_cell_length_b 4.94472418
_cell_length_c 4.94472418
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_ErCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99289600
_cell_length_b 6.99289600
_cell_length_c 6.99289600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
0,
0,
0
],
[
2.146359867628776,
1.5177086452797581,
6.17183907321597
],
[
2.146359867628777,
1.5177086452797581,
3.71760928678403
],
[
4.282256754587177,
3.0280127899504907,
7.41708627
],
[
2.854834981553616,
3.5215788747124206,
4.9447241... | [
[
4.282256754587178,
0,
2.4723620900000007
],
[
1.4274189181957257,
4.037350386600654,
2.4723620900000003
],
[
0,
0,
4.94472418
]
] | [
68,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.195051 | 0 | 0 | 216 | 216 | [
"Er",
"Cu"
] |
mp-867196 | mp-867196 | LiCd2Pd | # generated using pymatgen
data_LiCd2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64877312
_cell_length_b 4.64877312
_cell_length_c 4.64877312
_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_LiCd2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57435799
_cell_length_b 6.57435799
_cell_length_c 6.57435799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6839704122334966,
1.8978536789943588,
4.648773119999999
],
[
1.3419852061167483,
0.9489268394971798,
2.3243865599999998
],
[
4.0259556183502445,
2.846780518491538,
6.973159679999998
],
[
0,
0,
0
]
] | [
[
4.025955618350245,
0,
2.3243865599999998
],
[
1.3419852061167474,
3.7957073579887175,
2.3243865599999993
],
[
0,
0,
4.6487731199999995
]
] | [
3,
48,
48,
46
] | [
1,
1,
1
] | -0.404882 | 0 | 0 | 225 | 225 | [
"Li",
"Cd",
"Pd"
] |
mp-1222327 | mp-1222327 | LiNd(MoO4)2 | # generated using pymatgen
data_LiNd(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85032982
_cell_length_b 6.85032982
_cell_length_c 6.85032982
_cell_angle_alpha 134.41067999
_cell_angle_beta 134.41067999
_cell_angle_gamma 66.44726174
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_LiNd(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30804200
_cell_length_b 5.30804200
_cell_length_c 11.46112799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
3.4540488822909827,
1.2041394245290473,
1.3686719685158562
],
[
2.0146177525018385,
2.4082788490580946,
-2.0564929415652045
],
[
0.5751866227126946,
3.6124182735871413,
1.368671968353737
],
[
0,
0,
0
],
[
2.3057615680182324,
0.381302790171367... | [
[
4.893480012080127,
0,
-2.0564929414030853
],
[
-0.8642445070764496,
4.816557698116188,
-2.056492941727323
],
[
0,
0,
6.85032982
]
] | [
3,
60,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.491614 | 3.4231 | 0.025819 | 82 | 82 | [
"Li",
"Mo",
"Nd",
"O"
] |
mp-554059 | mp-554059 | Sr2UZnO6 | # generated using pymatgen
data_Sr2UZnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91875200
_cell_length_b 5.84787300
_cell_length_c 10.12555830
_cell_angle_alpha 54.71914104
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr2UZnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84787300
_cell_length_b 5.91875200
_cell_length_c 10.12555830
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.28085896
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.029139951106324804,
5.6932357112959995,
6.191489730248131
],
[
2.894796543608243,
2.7338597112959997,
6.2070389835597135
],
[
5.818733038322811,
0.22551628870399998,
2.0739616679810413
],
[
2.9530764458208933,
3.1848922887039994,
2.058412414669458
],... | [
[
5.847872989429137,
0,
-0.000351616464087342
],
[
-3.6241903458734973e-16,
5.918752,
3.6241903458734973e-16
],
[
0,
0,
8.265803014693258
]
] | [
38,
38,
38,
38,
92,
92,
30,
30,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.196411 | 1.8577 | 0.054006 | 14 | 14 | [
"O",
"Sr",
"U",
"Zn"
] |
mp-1101824 | mp-1101824 | PrGaPt | # generated using pymatgen
data_PrGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52490700
_cell_length_b 7.18107100
_cell_length_c 7.95797800
_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_PrGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52490700
_cell_length_b 7.18107100
_cell_length_c 7.95797800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.13122675,
0.20071093445,
5.488490098952
],
[
1.1312267499999997,
3.7912464344500005,
6.448476901048
],
[
3.3936802499999996,
6.98036006555,
2.469487901048
],
[
3.39368025,
3.38982456555,
1.5095010989520004
],
[
1.13122675,
1.126415615989,
... | [
[
4.524907,
0,
2.7707064369947264e-16
],
[
-4.3971378072999414e-16,
7.181071,
4.3971378072999414e-16
],
[
0,
0,
7.957978
]
] | [
59,
59,
59,
59,
31,
31,
31,
31,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.002924 | 0 | 0 | 62 | 62 | [
"Ga",
"Pr",
"Pt"
] |
mp-1216905 | mp-1216905 | U2Si3Pd | # generated using pymatgen
data_U2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79857900
_cell_length_b 4.13691266
_cell_length_c 7.15975060
_cell_angle_alpha 89.96787300
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_U2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79857900
_cell_length_b 4.13691266
_cell_length_c 7.15975060
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.532996302833976e-16,
4.13669689023406,
7.085510923736399
],
[
-1.2663360312233566e-16,
2.068083682748412,
3.6694649996536177
],
[
1.8992894999999999,
2.0678271942038133,
5.964050367125251
],
[
1.8992894999999999,
2.068985529566518,
1.1326298324975583
... | [
[
3.798579,
0,
2.325958806829177e-16
],
[
-2.5331280254913017e-16,
4.1369120096585625,
0.0023196575243902037
],
[
0,
0,
7.1597506
]
] | [
92,
92,
14,
14,
14,
46
] | [
1,
1,
1
] | -0.379865 | 0 | 0.039304 | 25 | 25 | [
"Pd",
"Si",
"U"
] |
mp-1205489 | mp-1205489 | Er7(TeRh)2 | # generated using pymatgen
data_Er7(TeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.35969358
_cell_length_b 9.35969358
_cell_length_c 9.35969358
_cell_angle_alpha 156.03148732
_cell_angle_beta 119.20820394
_cell_angle_gamma 66.31215660
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Er7(TeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88694800
_cell_length_b 9.47148600
_cell_length_c 15.67156801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.9615147827653704,
3.676336232809922,
4.830011659679942
],
[
4.031060513563705,
5.808907929219345,
9.088775044432507
],
[
1.2629555381922595,
0.4852767069728538,
3.4099164263281154
],
[
3.3042771594372824,
5.6106501919537495,
12.512647750593148
],
[... | [
[
3.802230778577144,
0,
0.8070971899456864
],
[
1.0172600257072237,
8.106048624809652,
4.567386741213499
],
[
0,
0,
9.359693580395422
]
] | [
68,
68,
68,
68,
68,
68,
68,
52,
52,
45,
45
] | [
1,
1,
1
] | -0.880528 | 0 | 0.028766 | 44 | 44 | [
"Er",
"Rh",
"Te"
] |
mp-1080077 | mp-1080077 | UGaPt | # generated using pymatgen
data_UGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02881581
_cell_length_b 7.02881581
_cell_length_c 4.12376400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999825
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_UGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02881581
_cell_length_b 7.02881581
_cell_length_c 4.12376400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0618820000000015,
3.5215100127751318,
2.0331446104184865
],
[
2.061882,
6.01276836502846e-16,
2.9625263740462286
],
[
2.061882000000001,
2.5656231445480446,
-1.4812632653856126
],
[
5.665121046418295e-16,
1.4796968506810604,
0.854303314800065
],
[
... | [
[
4.123764,
0,
2.525077191519543e-16
],
[
2.330500747232789e-15,
6.087133157323176,
-3.514408090920897
],
[
0,
0,
7.028815809999999
]
] | [
92,
92,
92,
31,
31,
31,
78,
78,
78
] | [
1,
1,
1
] | -0.637015 | 0 | 0 | 189 | 189 | [
"Ga",
"Pt",
"U"
] |
mp-7650 | mp-7650 | RbScO2 | # generated using pymatgen
data_RbScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28499155
_cell_length_b 3.28499155
_cell_length_c 12.88091400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999087
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28499155
_cell_length_b 3.28499155
_cell_length_c 12.88091400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.64249600166425,
0.9482953342175138,
3.220228500000001
],
[
-3.43613730185192e-16,
1.8965906684350275,
9.660685500000001
],
[
0,
0,
0
],
[
0,
0,
6.440457
],
[
1.64249600166425,
0.9482953342175138,
7.521912777612001
],
[
-3.436137... | [
[
3.2849920033285,
0,
9.30562498666009e-16
],
[
-1.6424960016642505,
2.844886002652541,
2.0114771934668013e-16
],
[
0,
0,
12.880914
]
] | [
37,
37,
21,
21,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.000575 | 3.4968 | 0 | 194 | 194 | [
"Rb",
"Sc",
"O"
] |
mp-865728 | mp-865728 | Ti2ReNi | # generated using pymatgen
data_Ti2ReNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33917208
_cell_length_b 4.33917208
_cell_length_c 4.33917208
_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_Ti2ReNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13651601
_cell_length_b 6.13651601
_cell_length_c 6.13651601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2526110842240545,
0.8857297918442633,
2.169586040000001
],
[
3.7578332526721625,
2.6571893755327873,
6.5087581199999995
],
[
0,
0,
0
],
[
2.505222168448109,
1.771459583688525,
4.339172080000001
]
] | [
[
3.757833252672163,
0,
2.1695860399999995
],
[
1.2526110842240537,
3.54291916737705,
2.1695860399999995
],
[
0,
0,
4.33917208
]
] | [
22,
22,
75,
28
] | [
1,
1,
1
] | -0.42776 | 0 | 0 | 225 | 225 | [
"Ti",
"Re",
"Ni"
] |
mp-1183165 | mp-1183165 | Al2CuPd | # generated using pymatgen
data_Al2CuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28395835
_cell_length_b 4.28395835
_cell_length_c 4.28395835
_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_Al2CuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05843200
_cell_length_b 6.05843200
_cell_length_c 6.05843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.236672253284823,
0.8744593364029464,
2.141979175000001
],
[
3.710016759854468,
2.623378009208837,
6.425937524999999
],
[
2.4733445065696453,
1.7489186728058908,
4.283958349999999
],
[
0,
0,
0
]
] | [
[
3.7100167598544678,
0,
2.1419791749999995
],
[
1.2366722532848236,
3.4978373456117824,
2.1419791749999995
],
[
0,
0,
4.28395835
]
] | [
13,
13,
29,
46
] | [
1,
1,
1
] | -0.545894 | 0 | 0.017831 | 225 | 225 | [
"Al",
"Cu",
"Pd"
] |
mp-3098 | mp-3098 | AlCuO2 | # generated using pymatgen
data_AlCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87981529
_cell_length_b 2.87981529
_cell_length_c 11.41329600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998380
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87981529
_cell_length_b 2.87981529
_cell_length_c 11.41329600
_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,
5.706648
],
[
4.722012407132277e-16,
1.6626619971897845,
2.853324000000002
],
[
1.439907997579967,
0.8313309985948925,
8.559972000000002
],
[
1.439907997579967,
0.8313309985948925,
6.678353194848001
],
[
4.72201... | [
[
2.8798159951599342,
0,
8.157854769323717e-16
],
[
-1.4399079975799673,
2.4939929957846774,
1.763378288517053e-16
],
[
0,
0,
11.413296
]
] | [
13,
13,
29,
29,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.417172 | 1.8152 | 0.000082 | 194 | 194 | [
"Al",
"Cu",
"O"
] |
mp-1184827 | mp-1184827 | HoTmAl2 | # generated using pymatgen
data_HoTmAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03432451
_cell_length_b 5.03432451
_cell_length_c 5.03432451
_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_HoTmAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11961000
_cell_length_b 7.11961000
_cell_length_c 7.11961000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9065686110364317,
2.0552543748478245,
5.03432451
],
[
0,
0,
0
],
[
4.359852916554647,
3.082881562271737,
7.551486765000001
],
[
1.4532843055182156,
1.0276271874239125,
2.5171622550000006
]
] | [
[
4.3598529165546465,
0,
2.5171622550000006
],
[
1.4532843055182156,
4.11050874969565,
2.5171622550000006
],
[
0,
0,
5.03432451
]
] | [
67,
69,
13,
13
] | [
1,
1,
1
] | -0.390065 | 0 | 0.020897 | 225 | 225 | [
"Al",
"Ho",
"Tm"
] |
mp-1112113 | mp-1112113 | Cs2RbYBr6 | # generated using pymatgen
data_Cs2RbYBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.60708193
_cell_length_b 8.60708193
_cell_length_c 8.60708193
_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_Cs2RbYBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.17225200
_cell_length_b 12.17225200
_cell_length_c 12.17225200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.4846505346113315,
1.7569132419024538,
4.303540965000001
],
[
7.453951603833994,
5.270739725707362,
12.910622894999998
],
[
4.969301069222662,
3.5138264838049085,
8.60708193
],
[
0,
0,
0
],
[
3.6278829692956256,
5.410878153534468,
6.2836... | [
[
7.453951603833996,
0,
4.303540964999999
],
[
2.4846505346113306,
7.027652967609815,
4.303540964999999
],
[
0,
0,
8.60708193
]
] | [
55,
55,
37,
39,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -2.177082 | 4.1731 | 0.011224 | 225 | 225 | [
"Br",
"Cs",
"Rb",
"Y"
] |
mp-1221852 | mp-1221852 | Mn3Cu(SeO3)4 | # generated using pymatgen
data_Mn3Cu(SeO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24118767
_cell_length_b 6.13905676
_cell_length_c 7.87858438
_cell_angle_alpha 89.70076005
_cell_angle_beta 90.83364172
_cell_angle_gamma 91.62477102
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Mn3Cu(SeO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24118767
_cell_length_b 6.13905676
_cell_length_c 7.87858438
_cell_angle_alpha 89.70076005
_cell_angle_beta 89.16635828
_cell_angle_gamma 88.37522898
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.620316454660803,
0,
3.977419942016716
],
[
5.327441659197727,
3.068258743408308,
4.031578915722401
],
[
2.620316454660803,
0,
7.916712132016716
],
[
5.327441659197727,
3.068258743408308,
7.970871105722401
],
[
2.7499539737203613,
2.88570348... | [
[
5.240632909321606,
0,
0.0762555040334314
],
[
0.17361749975224097,
6.136517486816616,
0.03206244337793882
],
[
0,
0,
7.87858438
]
] | [
25,
25,
25,
29,
34,
34,
34,
34,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.47547 | 0.2175 | 0.042912 | 2 | 2 | [
"Cu",
"Mn",
"O",
"Se"
] |
mp-865027 | mp-865027 | Mn3Ge | # generated using pymatgen
data_Mn3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07561075
_cell_length_b 4.07561075
_cell_length_c 4.07561075
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_Mn3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76378400
_cell_length_b 5.76378400
_cell_length_c 5.76378400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
3.5295824454369487,
2.4957916819254633,
6.113416125
],
[
1.1765274818123161,
0.831930560641821,
2.037805375
],
[
2.3530549636246323,
1.6638611212836416,
4.075610749999999
],
[
0,
0,
0
]
] | [
[
3.5295824454369487,
0,
2.0378053750000005
],
[
1.1765274818123161,
3.327722242567284,
2.037805375
],
[
0,
0,
4.075610749999999
]
] | [
25,
25,
25,
32
] | [
1,
1,
1
] | -0.075111 | 0 | 0 | 225 | 225 | [
"Mn",
"Ge"
] |
mp-1216251 | mp-1216251 | Yb(InCu)6 | # generated using pymatgen
data_Yb(InCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11594355
_cell_length_b 7.11594355
_cell_length_c 7.11594355
_cell_angle_alpha 135.70461068
_cell_angle_beta 98.33359348
_cell_angle_gamma 98.00819367
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Yb(InCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36535600
_cell_length_b 9.30564999
_cell_length_c 9.33619000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
0.8488549318336871,
2.2442666485695546,
5.03044787255356
],
[
6.61349714087693,
4.3465925533662215,
5.099565860731038
],
[
4.133491582955138,
2.2247642961910277,
4.076584343618034
],
[
3.3288604897554794,
4.36609490574475,
6.... | [
[
4.969473901504648,
0,
2.0227145404550955
],
[
2.49287817120597,
6.590859201935777,
0.9913556428295007
],
[
0,
0,
7.11594355
]
] | [
70,
49,
49,
49,
49,
49,
49,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.121269 | 0 | 0.009469 | 71 | 71 | [
"Cu",
"In",
"Yb"
] |
mp-569898 | mp-569898 | Ce3GaBr3 | # generated using pymatgen
data_Ce3GaBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03170000
_cell_length_b 6.03170000
_cell_length_c 6.03170000
_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_Ce3GaBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03170000
_cell_length_b 6.03170000
_cell_length_c 6.03170000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.8466755246042726e-16,
3.01585,
3.01585
],
[
3.01585,
3.01585,
3.693351049208545e-16
],
[
3.01585,
0,
3.01585
],
[
3.01585,
3.01585,
3.0158500000000004
],
[
-1.8466755246042726e-16,
3.01585,
1.8466755246042726e-16
],
[
3.01585,
... | [
[
6.0317,
0,
3.693351049208545e-16
],
[
-3.693351049208545e-16,
6.0317,
3.693351049208545e-16
],
[
0,
0,
6.0317
]
] | [
58,
58,
58,
31,
35,
35,
35
] | [
1,
1,
1
] | -1.435758 | 0 | 0.019576 | 221 | 221 | [
"Ce",
"Ga",
"Br"
] |
mp-769653 | mp-769653 | Li2TiFe2O5 | # generated using pymatgen
data_Li2TiFe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18785700
_cell_length_b 5.18978347
_cell_length_c 7.95535657
_cell_angle_alpha 71.17899017
_cell_angle_beta 83.68037458
_cell_angle_gamma 70.63108876
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li2TiFe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18785700
_cell_length_b 5.18978347
_cell_length_c 7.95535657
_cell_angle_alpha 71.17899017
_cell_angle_beta 83.68037458
_cell_angle_gamma 70.63108876
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.9700350847573653,
4.198289178576887,
3.365597950451049
],
[
3.333540413548035,
2.3150847261707987,
1.1522659589556306
],
[
5.77655147021788,
1.873496972621813,
2.821949865788602
],
[
5.466720131751314,
0.9488758421797352,
5.617809973938867
],
[
... | [
[
5.156332001515262,
0,
0.5710521364977288
],
[
1.5462871656453294,
4.662574344032624,
1.6742905820718528
],
[
0,
0,
7.95535657
]
] | [
3,
3,
3,
3,
22,
22,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.332666 | 1.4722 | 0.049117 | 1 | 1 | [
"Fe",
"Li",
"O",
"Ti"
] |
mp-865589 | mp-865589 | Lu2IrPd | # generated using pymatgen
data_Lu2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80173022
_cell_length_b 4.80173022
_cell_length_c 4.80173022
_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_Lu2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79067200
_cell_length_b 6.79067200
_cell_length_c 6.79067200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.158420352639441,
2.9404472303755043,
7.2025953299999985
],
[
1.3861401175464803,
0.9801490767918346,
2.40086511
],
[
2.77228023509296,
1.96029815358367,
4.80173022
],
[
0,
0,
0
]
] | [
[
4.158420352639442,
0,
2.4008651099999994
],
[
1.3861401175464798,
3.9205963071673384,
2.4008651099999994
],
[
0,
0,
4.80173022
]
] | [
71,
71,
77,
46
] | [
1,
1,
1
] | -1.027872 | 0 | 0 | 225 | 225 | [
"Ir",
"Lu",
"Pd"
] |
mp-1189779 | mp-1189779 | Pr2Ni7 | # generated using pymatgen
data_Pr2Ni7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99831272
_cell_length_b 4.99831300
_cell_length_c 12.60408820
_cell_angle_alpha 78.56352323
_cell_angle_beta 78.56352133
_cell_angle_gamma 60.00000477
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr2Ni7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99831297
_cell_length_b 4.99831297
_cell_length_c 36.80785201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.3689561115981284,
0.21882972710956333,
10.780276051332583
],
[
6.8794056737566445,
4.08021013595208,
3.8059570528673325
],
[
1.0674662401291974,
0.6331196006330894,
7.327373868311323
],
[
6.180895545225575,
3.6659202624285556,
7.258859235888596
],
... | [
[
4.8990721924302605,
0,
0.9910723986296649
],
[
2.349289592924512,
4.299039863061644,
0.9910725055702538
],
[
0,
0,
12.6040882
]
] | [
59,
59,
59,
59,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.283118 | 0 | 0.000054 | 166 | 166 | [
"Ni",
"Pr"
] |
mp-1227297 | mp-1227297 | Be4FeGe | # generated using pymatgen
data_Be4FeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22528546
_cell_length_b 4.22528546
_cell_length_c 4.22528546
_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_Be4FeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97545600
_cell_length_b 5.97545600
_cell_length_c 5.97545600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.439472137203711,
3.006784027757007,
4.2252854599999985
],
[
1.8352167128098449,
1.2976915951263768,
3.1786843642007305
],
[
1.8352167128098449,
1.2976915951263768,
5.271886555799271
],
[
3.6479829859914426,
1.2976915951263768,
4.225285459999999
],
... | [
[
3.659204546601018,
0,
2.1126427299999997
],
[
1.2197348488670068,
3.449931131533633,
2.1126427299999992
],
[
0,
0,
4.22528546
]
] | [
4,
4,
4,
4,
26,
32
] | [
1,
1,
1
] | -0.075335 | 0 | 0.063992 | 216 | 216 | [
"Be",
"Fe",
"Ge"
] |
mp-1206452 | mp-1206452 | Gd2GeBr2 | # generated using pymatgen
data_Gd2GeBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20615108
_cell_length_b 4.20615108
_cell_length_c 10.11995600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001700
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Gd2GeBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20615108
_cell_length_b 4.20615108
_cell_length_c 10.11995600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.103074999604391,
1.2142113331442828,
8.491644959644
],
[
-8.217926339133832e-16,
2.4284226662885664,
1.6283110403560013
],
[
0,
0,
0
],
[
2.103074999604391,
1.2142113331442828,
3.381876776124001
],
[
-8.217926339133832e-16,
2.42842266628856... | [
[
4.206149999208782,
0,
1.1915053214929687e-15
],
[
-2.1030749996043925,
3.6426339994328494,
2.5755247284260916e-16
],
[
0,
0,
10.119956
]
] | [
64,
64,
32,
35,
35
] | [
1,
1,
1
] | -1.686923 | 0 | 0 | 164 | 164 | [
"Br",
"Gd",
"Ge"
] |
mp-1102214 | mp-1102214 | BaCaPb | # generated using pymatgen
data_BaCaPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39473300
_cell_length_b 8.95617500
_cell_length_c 9.83708000
_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_BaCaPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39473300
_cell_length_b 8.95617500
_cell_length_c 9.83708000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3486832499999997,
4.668979413950001,
3.1246205799600006
],
[
1.34868325,
0.19089191395,
1.7939194200400002
],
[
4.04604975,
4.28719558605,
6.712459420040001
],
[
4.046049749999999,
8.76528308605,
8.04316057996
],
[
1.3486832499999994,
5.774... | [
[
5.394733,
0,
3.303321250352299e-16
],
[
-5.484075523176773e-16,
8.956175,
5.484075523176773e-16
],
[
0,
0,
9.83708
]
] | [
56,
56,
56,
56,
20,
20,
20,
20,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.591076 | 0.2648 | 0 | 62 | 62 | [
"Ba",
"Ca",
"Pb"
] |
mp-1222800 | mp-1222800 | LaGd(ClO)2 | # generated using pymatgen
data_LaGd(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04593600
_cell_length_b 4.04593600
_cell_length_c 6.91765200
_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_LaGd(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04593600
_cell_length_b 4.04593600
_cell_length_c 6.91765200
_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,
1.208520722052
],
[
2.022968,
2.022968,
5.759934514236001
],
[
0,
0,
4.372834605804
],
[
2.022968,
2.022968,
2.5666425862560005
],
[
2.022968,
0,
6.8764919706
],
[
-1.2387106429887614e-16,
2.022968,
6.8764919706
]
... | [
[
4.045936,
0,
2.477421285977523e-16
],
[
-2.477421285977523e-16,
4.045936,
2.477421285977523e-16
],
[
0,
0,
6.917652
]
] | [
57,
64,
17,
17,
8,
8
] | [
1,
1,
1
] | -3.531901 | 3.0539 | 0.009541 | 99 | 99 | [
"Cl",
"Gd",
"La",
"O"
] |
mp-998753 | mp-998753 | RbInCl3 | # generated using pymatgen
data_RbInCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69696177
_cell_length_b 7.69696177
_cell_length_c 7.69696123
_cell_angle_alpha 60.01451065
_cell_angle_beta 60.01451065
_cell_angle_gamma 60.01451179
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbInCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69864980
_cell_length_b 7.69864980
_cell_length_c 18.85156058
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.378580663794546,
1.682095049638116,
4.118617958120454
],
[
6.822748162766071,
4.824940807854674,
11.813891172424363
],
[
0.04059302593560654,
0.028706753155549953,
0.07028862553945214
],
[
4.484760524907131,
3.171552511372107,
7.765561839843361
],
... | [
[
6.666738871950978,
0,
3.8467925993039094
],
[
2.221596125992072,
6.285691516433114,
3.8467925993039094
],
[
0,
0,
7.69696123
]
] | [
37,
37,
49,
49,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.73806 | 0 | 0.032471 | 161 | 161 | [
"Cl",
"In",
"Rb"
] |
mp-1226366 | mp-1226366 | CrFeCoO4 | # generated using pymatgen
data_CrFeCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02660728
_cell_length_b 6.02660728
_cell_length_c 6.02660728
_cell_angle_alpha 119.91922229
_cell_angle_beta 119.34261930
_cell_angle_gamma 90.64117886
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_CrFeCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03396400
_cell_length_b 6.08639000
_cell_length_c 8.47508800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.7230649151358692,
2.4718230259983183,
2.979583420404245
],
[
2.6117190409104953,
3.716991163696095e-16,
1.5103324231636037
],
[
0.8949711949747405,
4.3360818394983545,
-1.5476151308477861
],
[
0.882337056574512,
0.6075642124982829,
4.500839537983484
... | [
[
5.223438081820991,
0,
-3.005942433672792
],
[
-3.4461298302717385,
4.9436460519966365,
-0.06744043919151126
],
[
0,
0,
6.02660728
]
] | [
24,
24,
26,
26,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.78798 | 1.0311 | 0.073178 | 74 | 74 | [
"Co",
"Cr",
"Fe",
"O"
] |
mp-1246575 | mp-1246575 | LuMgTiS4 | # generated using pymatgen
data_LuMgTiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68933686
_cell_length_b 7.55697552
_cell_length_c 7.55661659
_cell_angle_alpha 58.81141475
_cell_angle_beta 59.41595062
_cell_angle_gamma 59.42008748
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuMgTiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42063068
_cell_length_b 7.68933686
_cell_length_c 10.68778562
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.334705826345486,
3.120884423312362,
7.422169842379527
],
[
3.2323261174778857,
0.00003120890665092637,
9.378157750945915
],
[
7.576457483238617,
5.4751595054324405,
9.226288124028956
],
[
1.0927926993910153,
0.7666280665362749,
5.617650392775806
],
... | [
[
6.464746555896735,
0,
3.6431870227405394
],
[
2.2044497043107447,
6.241781330187385,
3.6442683598646606
],
[
0,
0,
7.55661659
]
] | [
71,
71,
12,
12,
22,
22,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.8706 | 0 | 0.069954 | 74 | 74 | [
"Lu",
"Mg",
"S",
"Ti"
] |
mp-5927 | mp-5927 | Cs2Mn3Te4 | # generated using pymatgen
data_Cs2Mn3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.71570160
_cell_length_b 10.71570160
_cell_length_c 10.71570160
_cell_angle_alpha 143.76141888
_cell_angle_beta 104.66195959
_cell_angle_gamma 86.57866243
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Cs2Mn3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66509000
_cell_length_b 13.09671199
_cell_length_c 15.59992799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.163067596478203,
1.235587627288911,
11.313731734534395
],
[
2.660020392644534,
3.779664588069178,
8.247390454019744
],
[
6.29344866272337,
6.250839842646999,
7.25344258388771
],
[
3.7904014588897,
8.794916803427267,
4.187101303373059
],
[
4.786... | [
[
6.334575369772134,
0,
2.0728192302735544
],
[
2.6188936855957694,
10.030504430716176,
2.7123122071716375
],
[
0,
0,
10.715701600462262
]
] | [
55,
55,
55,
55,
25,
25,
25,
25,
25,
25,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.687111 | 0 | 0 | 72 | 72 | [
"Cs",
"Mn",
"Te"
] |
mp-862700 | mp-862700 | AlVOs2 | # generated using pymatgen
data_AlVOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26426967
_cell_length_b 4.26426967
_cell_length_c 4.26426967
_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_AlVOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03058800
_cell_length_b 6.03058800
_cell_length_c 6.03058800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4619772418716566,
1.7408808028544003,
4.264269670000001
],
[
0,
0,
0
],
[
1.230988620935828,
0.8704404014272004,
2.132134835
],
[
3.692965862807484,
2.611321204281601,
6.3964045050000005
]
] | [
[
3.6929658628074846,
0,
2.1321348350000005
],
[
1.2309886209358272,
3.4817616057088014,
2.132134835000001
],
[
0,
0,
4.264269669999999
]
] | [
13,
23,
76,
76
] | [
1,
1,
1
] | -0.473442 | 0 | 0 | 225 | 225 | [
"Al",
"V",
"Os"
] |
mp-1223757 | mp-1223757 | In2Bi | # generated using pymatgen
data_In2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57291751
_cell_length_b 5.57291751
_cell_length_c 3.35587500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999423
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_In2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57291751
_cell_length_b 5.57291751
_cell_length_c 3.35587500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6779375,
0,
1.0274403942721561e-16
],
[
1.2318517844738077e-15,
3.21752561164454,
-3.240225086311891e-7
],
[
1.6779375000000003,
1.608762805822271,
2.7864585929887453
]
] | [
[
3.355875,
0,
2.0548807885443122e-16
],
[
1.8477776767107114e-15,
4.82628841746681,
-2.786459241033763
],
[
0,
0,
5.57291751
]
] | [
49,
49,
83
] | [
1,
1,
1
] | 0.046484 | 0 | 0.04726 | 187 | 187 | [
"Bi",
"In"
] |
mp-1071694 | mp-1071694 | TmZnGa | # generated using pymatgen
data_TmZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40313272
_cell_length_b 4.40313272
_cell_length_c 7.02178600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001082
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40313272
_cell_length_b 4.40313272
_cell_length_c 7.02178600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.510893
],
[
0,
0,
0
],
[
2.2015659999464874,
1.271074999877148,
1.7554465000000008
],
[
-1.443579700212229e-15,
2.5421499997542965,
5.2663395
],
[
2.2015659999464874,
1.271074999877148,
5.266339500000001
],
[
-1.4435797002... | [
[
4.403131999892976,
0,
1.2473057808436097e-15
],
[
-2.2015659999464883,
3.8132249996314433,
2.6961411958844895e-16
],
[
0,
0,
7.021786
]
] | [
69,
69,
30,
30,
31,
31
] | [
1,
1,
1
] | -0.5523 | 0 | 0 | 194 | 194 | [
"Ga",
"Tm",
"Zn"
] |
mp-979176 | mp-979176 | Tm2AgHg | # generated using pymatgen
data_Tm2AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14138048
_cell_length_b 5.14138048
_cell_length_c 5.14138048
_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_Tm2AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27101000
_cell_length_b 7.27101000
_cell_length_c 7.27101000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.452566106201432,
3.148439687376412,
7.712070719999998
],
[
1.4841887020671436,
1.0494798957921367,
2.570690239999999
],
[
2.968377404134287,
2.098959791584274,
5.141380479999999
],
[
0,
0,
0
]
] | [
[
4.452566106201431,
0,
2.5706902399999993
],
[
1.4841887020671447,
4.1979195831685505,
2.5706902399999993
],
[
0,
0,
5.14138048
]
] | [
69,
69,
47,
80
] | [
1,
1,
1
] | -0.414696 | 0 | 0.002018 | 225 | 225 | [
"Tm",
"Ag",
"Hg"
] |
mp-1187110 | mp-1187110 | Sr3Ca | # generated using pymatgen
data_Sr3Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22150450
_cell_length_b 7.22150450
_cell_length_c 7.22150450
_cell_angle_alpha 131.63945382
_cell_angle_beta 131.63945382
_cell_angle_gamma 70.79906994
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr3Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91598600
_cell_length_b 5.91598600
_cell_length_c 11.77296600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.775682114319499,
1.3215273347255012,
1.1875113359581433
],
[
0.533197392701314,
3.9645820041765036,
1.1875113364956076
],
[
2.1544397535104065,
2.6430546694510024,
-2.423240913773125
],
[
0,
0,
0
]
] | [
[
5.396924475128592,
0,
-2.4232409143105897
],
[
-1.0880449681077786,
5.286109338902005,
-2.4232409132356603
],
[
0,
0,
7.221504500000001
]
] | [
38,
38,
38,
20
] | [
1,
1,
1
] | 0.012261 | 0 | 0.012261 | 139 | 139 | [
"Ca",
"Sr"
] |
mp-10010 | mp-10010 | Al(CoSi)2 | # generated using pymatgen
data_Al(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93035141
_cell_length_b 3.93035141
_cell_length_c 4.63125200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999012
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Al(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93035141
_cell_length_b 3.93035141
_cell_length_c 4.63125200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
8.090085636176171e-16,
2.26918933161598,
3.8777472996
],
[
1.9651759984717618,
1.13459466580799,
0.7535047004000006
],
[
1.9651759984717618,
1.13459466580799,
3.0202293105320006
],
[
8.090085636176171e-16,
2.26918933161598,
1... | [
[
3.9303519969435228,
0,
1.113378106006597e-15
],
[
-1.9651759984717607,
3.4037839974239703,
2.406646136890393e-16
],
[
0,
0,
4.631252
]
] | [
13,
27,
27,
14,
14
] | [
1,
1,
1
] | -0.510519 | 0 | 0 | 164 | 164 | [
"Al",
"Co",
"Si"
] |
mp-1103148 | mp-1103148 | ZrCoGe | # generated using pymatgen
data_ZrCoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93974400
_cell_length_b 6.56896600
_cell_length_c 7.25912500
_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_ZrCoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93974400
_cell_length_b 6.56896600
_cell_length_c 7.25912500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.984936,
0.061505228658,
5.814501052000001
],
[
0.9849359999999998,
3.345988228658,
5.074186448
],
[
2.9548079999999994,
6.507460771341999,
1.4446239480000005
],
[
2.954808,
3.222977771342,
2.184938552
],
[
0.9849359999999999,
0.927524861267... | [
[
3.939744,
0,
2.412397439529995e-16
],
[
-4.022331592803896e-16,
6.568966,
4.022331592803896e-16
],
[
0,
0,
7.259125
]
] | [
40,
40,
40,
40,
27,
27,
27,
27,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.70563 | 0 | 0 | 62 | 62 | [
"Co",
"Ge",
"Zr"
] |
mp-1179025 | mp-1179025 | Ti3(BiO3)4 | # generated using pymatgen
data_Ti3(BiO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86469438
_cell_length_b 3.86469438
_cell_length_c 16.97887473
_cell_angle_alpha 84.22256089
_cell_angle_beta 84.22256089
_cell_angle_gamma 88.83345503
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ti3(BiO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52085801
_cell_length_b 5.40958201
_cell_length_c 16.97887473
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.10188369
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4679170242515918,
2.44255383703975,
13.10900384120865
],
[
1.416865738966388,
1.402304377851605,
4.647946278517108
],
[
1.9423913816089897,
1.9224291074456774,
0.3890376948628786
],
[
0.5421447433036485,
0.5365730330373784,
14.83842109347804
],
[
... | [
[
3.8450633704503963,
0,
0.3890376948628786
],
[
0.03971939276758329,
3.844858214891355,
0.3890376948628786
],
[
0,
0,
16.97887473
]
] | [
22,
22,
22,
83,
83,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.509957 | 1.553 | 0.040116 | 12 | 12 | [
"Bi",
"O",
"Ti"
] |
mp-1106326 | mp-1106326 | Er2Si4Mo3 | # generated using pymatgen
data_Er2Si4Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90664700
_cell_length_b 6.71833200
_cell_length_c 6.84227448
_cell_angle_alpha 71.02963649
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Er2Si4Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71833200
_cell_length_b 6.90664700
_cell_length_c 6.84227448
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.97036351
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.3440257866400875,
1.2339592357529148,
2.2823291277380005
],
[
4.509192212122831,
5.236689768462662,
5.735652627738001
],
[
1.1500262121228295,
5.2366897684626625,
4.624317872262
],
[
-0.015140213359913364,
1.2339592357529146,
1.170994372262
],
[
... | [
[
6.718332,
0,
4.113791889704618e-16
],
[
-2.2242800012370822,
6.470649004215577,
4.189684770409811e-16
],
[
0,
0,
6.906647
]
] | [
68,
68,
68,
68,
14,
14,
14,
14,
14,
14,
14,
14,
42,
42,
42,
42,
42,
42
] | [
1,
1,
1
] | -0.656112 | 0 | 0 | 14 | 14 | [
"Er",
"Mo",
"Si"
] |
mp-13926 | mp-13926 | Rb2NaYF6 | # generated using pymatgen
data_Rb2NaYF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38294543
_cell_length_b 6.38294543
_cell_length_c 6.38294543
_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_Rb2NaYF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02684799
_cell_length_b 9.02684799
_cell_length_c 9.02684799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.842597631116594,
1.3029132799608147,
3.191472715
],
[
5.527792893349787,
3.9087398398824407,
9.574418145000001
],
[
3.685195262233192,
2.6058265599216277,
6.382945430000001
],
[
0,
0,
0
],
[
2.7362427414270947,
3.9478480848937454,
4.739... | [
[
5.527792893349789,
0,
3.1914727149999997
],
[
1.8425976311165948,
5.2116531198432545,
3.191472715000001
],
[
0,
0,
6.38294543
]
] | [
37,
37,
11,
39,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.576553 | 6.4477 | 0 | 225 | 225 | [
"F",
"Na",
"Rb",
"Y"
] |
mp-754578 | mp-754578 | TmGaO3 | # generated using pymatgen
data_TmGaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24091300
_cell_length_b 5.57066000
_cell_length_c 7.59972500
_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_TmGaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24091300
_cell_length_b 5.57066000
_cell_length_c 7.59972500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.11436720348599998,
0.39761699882,
5.69979375
],
[
2.506089296514,
3.1829469988200003,
5.69979375
],
[
2.734823703486,
2.38771300118,
1.8999312500000003
],
[
5.126545796514,
5.17304300118,
1.8999312500000007
],
[
-1.7055227345345487e-16,
2.7... | [
[
5.240913,
0,
3.209133665029876e-16
],
[
-3.4110454690690975e-16,
5.57066,
3.4110454690690975e-16
],
[
0,
0,
7.599725
]
] | [
69,
69,
69,
69,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.160257 | 3.6067 | 0.050875 | 62 | 62 | [
"Ga",
"O",
"Tm"
] |
mp-30950 | mp-30950 | Sr3GeO | # generated using pymatgen
data_Sr3GeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19562300
_cell_length_b 7.20463300
_cell_length_c 10.18439800
_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_Sr3GeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19562300
_cell_length_b 7.20463300
_cell_length_c 10.18439800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5982486070219997,
5.601551725069,
9.864037576512
],
[
1.999562892978,
1.999235225069,
5.412559423488
],
[
5.196060107022,
5.205397774931,
0.3203604234880006
],
[
5.597374392978,
1.6030812749310002,
4.771838576512001
],
[
1.5982486070219997,
... | [
[
7.195623,
0,
4.406048337410538e-16
],
[
-4.4115653712406965e-16,
7.204633,
4.4115653712406965e-16
],
[
0,
0,
10.184398
]
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
32,
32,
32,
32,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.56078 | 0.5773 | 0 | 62 | 62 | [
"Ge",
"O",
"Sr"
] |
mp-1216653 | mp-1216653 | UNbC2 | # generated using pymatgen
data_UNbC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91100578
_cell_length_b 5.91100578
_cell_length_c 5.91100658
_cell_angle_alpha 32.21161812
_cell_angle_beta 32.21161812
_cell_angle_gamma 32.21161194
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | # generated using pymatgen
data_UNbC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27956842
_cell_length_b 3.27956842
_cell_length_c 16.79860776
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.297462550713116,
1.400222571616714,
3.865295982849673
],
[
1.1189929201001274,
0.6819868048413504,
2.0356397385658695
],
[
3.4759321813261046,
2.1184583383920783,
5.694952227133475
]
] | [
[
3.150848931029244,
0,
0.9097926928496731
],
[
1.4440761703969882,
2.8004451432334285,
0.9097926928496731
],
[
0,
0,
5.91100658
]
] | [
92,
41,
6,
6
] | [
1,
1,
1
] | -0.412 | 0 | 0 | 166 | 166 | [
"C",
"Nb",
"U"
] |
mp-630862 | mp-630862 | Yb2Pt2Pb | # generated using pymatgen
data_Yb2Pt2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72471600
_cell_length_b 7.72471600
_cell_length_c 7.52375500
_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_Yb2Pt2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72471600
_cell_length_b 7.72471600
_cell_length_c 7.52375500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-3.191413657288799e-16,
5.211974031223999,
5.211974031224
],
[
3.7618775,
2.652173092575999,
2.6521730925759996
],
[
3.7618774999999998,
6.375099968775999,
1.3496160312240004
],
[
3.7618774999999998,
5.072542907424,
5.072542907424
],
[
-1.5386107... | [
[
7.523755,
0,
4.606971239159448e-16
],
[
-4.730024361861173e-16,
7.724716,
4.730024361861173e-16
],
[
0,
0,
7.724716
]
] | [
70,
70,
70,
70,
70,
70,
70,
70,
78,
78,
78,
78,
78,
78,
78,
78,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.894201 | 0 | 0 | 136 | 136 | [
"Pb",
"Pt",
"Yb"
] |
mp-754632 | mp-754632 | Pr(ReO4)2 | # generated using pymatgen
data_Pr(ReO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27257226
_cell_length_b 6.27257226
_cell_length_c 6.44950600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000275
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Pr(ReO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27257226
_cell_length_b 6.27257226
_cell_length_c 6.44950600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
3.224753
],
[
3.136285999636391,
1.810735666499677,
1.265251188068002
],
[
-1.8604588980239528e-15,
3.621471332999354,
5.184254811932002
],
[
2.894635163364406,
3.468670593046112,
1.877399600552002
],
[
4.692925102407921,
1.191043977882... | [
[
6.272571999272784,
0,
1.7768750325088754e-15
],
[
-3.1362859996363937,
5.43220699949903,
3.8408427703147395e-16
],
[
0,
0,
6.449506
]
] | [
59,
75,
75,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.505869 | 0 | 0 | 147 | 147 | [
"O",
"Pr",
"Re"
] |
mp-1025122 | mp-1025122 | LuCu2 | # generated using pymatgen
data_LuCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34041786
_cell_length_b 5.34041786
_cell_length_c 5.34041786
_cell_angle_alpha 133.41182753
_cell_angle_beta 102.69037422
_cell_angle_gamma 95.34083416
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22374400
_cell_length_b 6.67153800
_cell_length_c 7.19241400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
2.300486413269749,
1.4287323545702157,
5.337648029613946
],
[
3.373148080005396,
3.4625450748206577,
2.8462476972747086
],
[
4.522802727063788,
3.4912421994988945,
5.516438720509588
],
[
1.1508317662113563,
1.4000352298919787,
2.667457006379066
],
[
... | [
[
3.8794548084067064,
0,
1.6702825346981642
],
[
1.7941796848684382,
4.891277429390874,
1.1731953317942314
],
[
0,
0,
5.340417860396258
]
] | [
71,
71,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.294292 | 0 | 0 | 74 | 74 | [
"Cu",
"Lu"
] |
mp-1094786 | mp-1094786 | Sr3Mg | # generated using pymatgen
data_Sr3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65022000
_cell_length_b 5.65022000
_cell_length_c 5.65022000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_Sr3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65022000
_cell_length_b 5.65022000
_cell_length_c 5.65022000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
2.82511,
2.82511,
3.459761918739179e-16
],
[
2.82511,
0,
2.82511
],
[
-1.7298809593695894e-16,
2.82511,
2.82511
],
[
0,
0,
0
]
] | [
[
5.65022,
0,
3.459761918739179e-16
],
[
-3.459761918739179e-16,
5.65022,
3.459761918739179e-16
],
[
0,
0,
5.65022
]
] | [
38,
38,
38,
12
] | [
1,
1,
1
] | 0.039728 | 0 | 0.074383 | 221 | 221 | [
"Mg",
"Sr"
] |
mp-29331 | mp-29331 | KH3F4 | # generated using pymatgen
data_KH3F4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97839312
_cell_length_b 5.97839312
_cell_length_c 5.97839259
_cell_angle_alpha 77.44763151
_cell_angle_beta 77.44763151
_cell_angle_gamma 77.44762069
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | # generated using pymatgen
data_KH3F4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47977028
_cell_length_b 7.47977028
_cell_length_c 12.40281200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.438658082089222,
2.870872132569107,
4.2884915943980335
],
[
4.061106406943385,
4.30630819885366,
7.312253272019629
],
[
5.353814894375515,
5.385566643138896,
5.55322151117447
],
[
1.523501269802929,
0.35617762199931885,
3.0... | [
[
5.835496210454217,
0,
1.299295299398033
],
[
1.0418199537242272,
5.741744265138214,
1.299295299398033
],
[
0,
0,
5.97839259
]
] | [
19,
19,
1,
1,
1,
1,
1,
1,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.193171 | 7.6164 | 0 | 167 | 167 | [
"F",
"H",
"K"
] |
mp-19258 | mp-19258 | Ba2SmMoO6 | # generated using pymatgen
data_Ba2SmMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08629293
_cell_length_b 6.08629293
_cell_length_c 6.08629293
_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_Ba2SmMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.60731801
_cell_length_b 8.60731801
_cell_length_c 8.60731801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.756961430751206,
1.2423593419673995,
3.0431464649999986
],
[
5.270884292253624,
3.727078025902194,
9.129439394999999
],
[
0,
0,
0
],
[
3.513922861502416,
2.4847186839347963,
6.086292929999999
],
[
5.150124819195232,
3.641688183610092,
6... | [
[
5.2708842922536245,
0,
3.043146464999999
],
[
1.756961430751207,
4.969437367869592,
3.0431464649999986
],
[
0,
0,
6.086292929999999
]
] | [
56,
56,
62,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.977236 | 0 | 0.040743 | 225 | 225 | [
"Ba",
"Mo",
"O",
"Sm"
] |
mp-1101170 | mp-1101170 | YLuO3 | # generated using pymatgen
data_YLuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60480100
_cell_length_b 5.89057500
_cell_length_c 8.21850600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YLuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60480100
_cell_length_b 5.89057500
_cell_length_c 8.21850600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
0.08453160868199966,
5.556502820025,
6.1638795
],
[
2.717868891318,
2.611215320025,
6.1638795
],
[
2.886932108682,
3.279359679975,
2.0546265000000004
],
[
5.520269391318,
0.334072179975,
2.0546265000000004
],
[
-1.803468454721855e-16,
2.94528... | [
[
5.604801,
0,
3.431950802253942e-16
],
[
-3.60693690944371e-16,
5.890575,
3.60693690944371e-16
],
[
0,
0,
8.218506
]
] | [
39,
39,
39,
39,
71,
71,
71,
71,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.971415 | 4.7426 | 0.076084 | 62 | 62 | [
"Lu",
"O",
"Y"
] |
mp-504603 | mp-504603 | Cs2TlFeF6 | # generated using pymatgen
data_Cs2TlFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63629189
_cell_length_b 6.63629189
_cell_length_c 6.63629189
_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_Cs2TlFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.38513399
_cell_length_b 9.38513399
_cell_length_c 9.38513399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.747197363668645,
4.0638822286675484,
9.954437835
],
[
1.915732454556216,
1.3546274095558517,
3.318145945000003
],
[
3.8314649091124307,
2.7092548191117,
6.636291890000002
],
[
0,
0,
0
],
[
2.721566154240741,
4.278888691112253,
8.5586929... | [
[
5.747197363668646,
0,
3.3181459449999995
],
[
1.915732454556214,
5.418509638223397,
3.318145945000001
],
[
0,
0,
6.63629189
]
] | [
55,
55,
81,
26,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.729334 | 2.9884 | 0 | 225 | 225 | [
"Cs",
"F",
"Fe",
"Tl"
] |
mp-29201 | mp-29201 | TbCd2F8 | # generated using pymatgen
data_TbCd2F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86745765
_cell_length_b 6.86745765
_cell_length_c 6.86745765
_cell_angle_alpha 134.18020541
_cell_angle_beta 134.18020541
_cell_angle_gamma 66.80667888
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TbCd2F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34677000
_cell_length_b 5.34677000
_cell_length_c 11.46612400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.02268126669908,
2.422907329965923,
-2.081407041038099
],
[
0.7153495475058632,
0.8568950979450681,
1.6926538025679017
],
[
3.3300129858922958,
3.988919561986778,
1.0119897653559005
],
[
1.0213668812978542,
1.46896025601174,
-0.36097247640382246
],
... | [
[
4.925007018875441,
0,
-2.0814070414306958
],
[
-0.8796444854772818,
4.845814659931846,
-2.081407040645502
],
[
0,
0,
6.86745765
]
] | [
65,
48,
48,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.951829 | 0 | 0.025891 | 82 | 82 | [
"Cd",
"F",
"Tb"
] |
mp-568654 | mp-568654 | PrAg2 | # generated using pymatgen
data_PrAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84649630
_cell_length_b 4.84649630
_cell_length_c 3.62265000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000407
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84649630
_cell_length_b 4.84649630
_cell_length_c 3.62265000
_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
],
[
1.8113250000000012,
2.798125828674724,
1.9876459385231846e-7
],
[
1.8113250000000005,
1.3990629143373623,
2.423248249382297
]
] | [
[
3.62265,
0,
2.2182333634655797e-16
],
[
1.6069225444984622e-15,
4.197188743012086,
-2.4232478518531098
],
[
0,
0,
4.8464963
]
] | [
59,
47,
47
] | [
1,
1,
1
] | -0.272153 | 0 | 0.005346 | 191 | 191 | [
"Pr",
"Ag"
] |
mp-5591 | mp-5591 | U(NiGe)2 | # generated using pymatgen
data_U(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67057606
_cell_length_b 5.67057606
_cell_length_c 5.67057606
_cell_angle_alpha 138.14362253
_cell_angle_beta 138.14362253
_cell_angle_gamma 60.68310512
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_U(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05103200
_cell_length_b 4.05103200
_cell_length_c 9.78774800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0.5309112234499107,
2.807322130753893,
1.3882692362914402
],
[
2.699490917345705,
0.935774043584631,
1.3882692364548876
],
[
2.02314271354176,
2.3442337582570802,
-0.3803002762025634
],
[
1.2072594272538562,
1.3988624160814447,
... | [
[
3.7837807642936023,
0,
-1.4470187934633887
],
[
-0.5533786234979868,
3.7430961743385245,
-1.4470187937902836
],
[
0,
0,
5.67057606
]
] | [
92,
28,
28,
32,
32
] | [
1,
1,
1
] | -0.34574 | 0 | 0.01677 | 139 | 139 | [
"Ge",
"Ni",
"U"
] |
mp-13171 | mp-13171 | YMgCu | # generated using pymatgen
data_YMgCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50111289
_cell_length_b 7.50111289
_cell_length_c 3.95953900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999022
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YMgCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50111289
_cell_length_b 7.50111289
_cell_length_c 3.95953900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.959539,
7.382259343270866e-16,
4.397962496310119
],
[
1.0288923613781497e-15,
2.6874073375424135,
1.5515747381228036
],
[
1.458205192788114e-15,
3.808747622046881,
5.30213099171765
],
[
1.9797694999999995,
3.027032586110245e-16,
1.8252533006365894
],... | [
[
3.959539,
0,
2.4245183812245557e-16
],
[
2.4870975541662645e-15,
6.496154959589297,
-3.750557553849427
],
[
0,
0,
7.50111289
]
] | [
39,
39,
39,
12,
12,
12,
29,
29,
29
] | [
1,
1,
1
] | -0.214419 | 0 | 0 | 189 | 189 | [
"Y",
"Mg",
"Cu"
] |
mp-1253 | mp-1253 | BaSe | # generated using pymatgen
data_BaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72815293
_cell_length_b 4.72815293
_cell_length_c 4.72815293
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... | # generated using pymatgen
data_BaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68661800
_cell_length_b 6.68661800
_cell_length_c 6.68661800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... | [
[
0,
0,
0
],
[
2.7298003669052178,
1.9302603507242049,
4.728152929999999
]
] | [
[
4.094700550357826,
0,
2.3640764650000006
],
[
1.3649001834526087,
3.860520701448409,
2.364076465
],
[
0,
0,
4.728152929999999
]
] | [
56,
34
] | [
1,
1,
1
] | -2.283763 | 2.2121 | 0 | 225 | 225 | [
"Ba",
"Se"
] |
mp-978262 | mp-978262 | MgTl3 | # generated using pymatgen
data_MgTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87767675
_cell_length_b 6.87767675
_cell_length_c 5.63643500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000721
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87767675
_cell_length_b 6.87767675
_cell_length_c 5.63643500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.227326250000001,
1.9854141172600603,
3.4388386248410265
],
[
1.4091087500000021,
3.9708282345201207,
4.996820511642098e-7
],
[
4.227326250000002,
4.952299834660576,
-1.699951300270411
],
[
4.227326250000001,
2.0078909904815614,
0.000003691507852305365
... | [
[
5.636435,
0,
3.4513210406760557e-16
],
[
2.280388303124864e-15,
5.956242351780181,
-3.438837625476923
],
[
0,
0,
6.87767675
]
] | [
12,
12,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | 0.028694 | 0 | 0.046936 | 194 | 194 | [
"Mg",
"Tl"
] |
mp-29238 | mp-29238 | TlAgSe | # generated using pymatgen
data_TlAgSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70091300
_cell_length_b 7.68612700
_cell_length_c 8.47508200
_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_TlAgSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70091300
_cell_length_b 7.68612700
_cell_length_c 8.47508200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.52568475,
1.410996136279,
0.006466487566000303
],
[
1.1752282499999995,
6.275130863721,
8.468615512434
],
[
3.52568475,
2.432067363721,
4.244007487566
],
[
1.1752282499999998,
5.254059636279,
4.231074512434001
],
[
1.17522825,
0.64903193613... | [
[
4.700913,
0,
2.8784790292600906e-16
],
[
-4.706395414195024e-16,
7.686127,
4.706395414195024e-16
],
[
0,
0,
8.475082
]
] | [
81,
81,
81,
81,
47,
47,
47,
47,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.401479 | 0.6662 | 0 | 62 | 62 | [
"Ag",
"Se",
"Tl"
] |
mp-1094684 | mp-1094684 | CeMg2 | # generated using pymatgen
data_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17707554
_cell_length_b 3.17707554
_cell_length_c 16.41105400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999052
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17707554
_cell_length_b 3.17707554
_cell_length_c 16.41105400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.524989108449405e-16,
1.8342853306430922,
6.703291938948
],
[
1.5885379976218095,
0.917142665321546,
9.707762061052
],
[
2.524989108449405e-16,
1.8342853306430922,
1.283213134368001
],
[
1.5885379976218095,
0.917142665321546,
3.795975256524001
],
[
... | [
[
3.177075995243619,
0,
8.999923815918196e-16
],
[
-1.5885379976218097,
2.751427995964638,
1.9453976953551744e-16
],
[
0,
0,
16.411054
]
] | [
58,
58,
12,
12,
12,
12
] | [
1,
1,
1
] | 0.031873 | 0 | 0.056947 | 164 | 164 | [
"Ce",
"Mg"
] |
mp-7603 | mp-7603 | Li2TiF6 | # generated using pymatgen
data_Li2TiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72180000
_cell_length_b 4.72180000
_cell_length_c 9.06898000
_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_Li2TiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72180000
_cell_length_b 4.72180000
_cell_length_c 9.06898000
_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,
3.0688974871
],
[
2.3609,
2.3609,
7.6033874871
],
[
2.3609,
2.3609,
1.4655925129000003
],
[
0,
0,
6.0000825129
],
[
0,
0,
0
],
[
2.3609,
2.3609,
4.53449
],
[
1.0159802623999998,
3.7058197375999997,
4.... | [
[
4.7218,
0,
2.8912686281069864e-16
],
[
-2.8912686281069864e-16,
4.7218,
2.8912686281069864e-16
],
[
0,
0,
9.06898
]
] | [
3,
3,
3,
3,
22,
22,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.53162 | 4.3895 | 0 | 136 | 136 | [
"Li",
"Ti",
"F"
] |
mp-1207121 | mp-1207121 | Fe2SiNi | # generated using pymatgen
data_Fe2SiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98741615
_cell_length_b 3.98741615
_cell_length_c 3.98741615
_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_Fe2SiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63905800
_cell_length_b 5.63905800
_cell_length_c 5.63905800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.453203681360341,
2.441783739908248,
5.981124225
],
[
0,
0,
0
],
[
1.1510678937867809,
0.8139279133027506,
1.9937080750000005
],
[
2.302135787573561,
1.627855826605499,
3.98741615
]
] | [
[
3.4532036813603417,
0,
1.9937080750000005
],
[
1.1510678937867798,
3.2557116532109966,
1.9937080750000002
],
[
0,
0,
3.9874161499999996
]
] | [
26,
26,
14,
28
] | [
1,
1,
1
] | -0.284197 | 0 | 0.065551 | 216 | 216 | [
"Fe",
"Ni",
"Si"
] |
mp-1216805 | mp-1216805 | USiPt | # generated using pymatgen
data_USiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30408000
_cell_length_b 5.63792742
_cell_length_c 5.47728389
_cell_angle_alpha 94.16589135
_cell_angle_beta 113.13523910
_cell_angle_gamma 67.56050169
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_USiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.07360167
_cell_length_b 4.30408000
_cell_length_c 6.91001877
_cell_angle_alpha 90.00000000
_cell_angle_beta 131.32286326
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1984420930763315,
3.9399281399612893,
3.531011235065938
],
[
2.593921843657785,
1.0759832065952233,
4.9948222572236185
],
[
2.029106528032397,
3.932364145650682,
6.362495701804734
],
[
3.76325740870172,
1.083547200905832,
2.1633377904848228
],
[
... | [
[
3.9781884624627315,
0,
1.6429002415023288
],
[
1.814175474271385,
5.015911346556513,
1.2450058307872274
],
[
0,
0,
5.63792742
]
] | [
92,
92,
14,
14,
78,
78
] | [
1,
1,
1
] | -0.646335 | 0 | 0.00723 | 12 | 12 | [
"Pt",
"Si",
"U"
] |
mp-21379 | mp-21379 | SmInIr | # generated using pymatgen
data_SmInIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58214149
_cell_length_b 7.58214149
_cell_length_c 4.04890000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999556
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmInIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58214149
_cell_length_b 7.58214149
_cell_length_c 4.04890000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.048900000000001,
2.6796197330291864,
-1.5470793126240707
],
[
1.4880527465754271e-15,
3.886707706178788,
2.2439913388355235
],
[
4.0489,
6.12820281659012e-16,
3.094158209946649
],
[
2.02445,
1.5025723935077868e-15,
5.659302825994509
],
[
2.0244... | [
[
4.0489,
0,
2.479236212533859e-16
],
[
2.5139635700656802e-15,
6.566327439207974,
-3.7910712538418982
],
[
0,
0,
7.58214149
]
] | [
62,
62,
62,
49,
49,
49,
77,
77,
77
] | [
1,
1,
1
] | -0.668135 | 0 | 0 | 189 | 189 | [
"In",
"Ir",
"Sm"
] |
mp-1216547 | mp-1216547 | Tm4MgS7 | # generated using pymatgen
data_Tm4MgS7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51634394
_cell_length_b 6.51634394
_cell_length_c 11.38441840
_cell_angle_alpha 75.83726133
_cell_angle_beta 75.83726133
_cell_angle_gamma 33.52582119
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tm4MgS7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.47888201
_cell_length_b 3.75878400
_cell_length_c 11.38441840
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.80531811
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.608393668881616e-16,
3.7009182087567587,
1.3314102268297119
],
[
1.8793920012480165,
2.3377052267022713,
8.52159889995569
],
[
4.173346716732465e-16,
0.0013753620131701958,
0.05178849779793989
],
[
1.879392001248017,
4.660317664996852,
5.24475551052534... | [
[
3.758784002496032,
0,
2.301591398671521e-16
],
[
-1.8793920012480159,
6.032289531451006,
-1.5943986511428985
],
[
0,
0,
11.3844184
]
] | [
69,
69,
69,
69,
12,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.229253 | 1.1019 | 0.034674 | 8 | 8 | [
"Mg",
"S",
"Tm"
] |
mp-776021 | mp-776021 | Li4Sb(TeO4)3 | # generated using pymatgen
data_Li4Sb(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.11554100
_cell_length_b 5.13337100
_cell_length_c 5.23523175
_cell_angle_alpha 85.77832585
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li4Sb(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13337100
_cell_length_b 9.11554100
_cell_length_c 5.23523175
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.22167415
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
-0.38539400010430125,
5.221027000590177,
6.221302039254
],
[
2.181291499895699,
5.221027000590177,
7.740124365133001
],
[
-0.19269700005215062,
2.6105135002950886,
2.940299789419001
],
[
2.3739884999478496,
2.6105135002950886,
1.526105643138
],
[
... | [
[
5.133371,
0,
3.143283181992924e-16
],
[
-0.38539400010430125,
5.221027000590177,
3.205654902716048e-16
],
[
0,
0,
9.115541
]
] | [
3,
3,
3,
3,
51,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.818286 | 0.0433 | 0.071232 | 3 | 3 | [
"Li",
"O",
"Sb",
"Te"
] |
mp-1184247 | mp-1184247 | Eu2ZnHg | # generated using pymatgen
data_Eu2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43269574
_cell_length_b 5.43269574
_cell_length_c 5.43269574
_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_Eu2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68299200
_cell_length_b 7.68299200
_cell_length_c 7.68299200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.7048525218715,
3.3268331226979675,
8.149043610000001
],
[
1.568284173957167,
1.1089443742326566,
2.716347870000001
],
[
0,
0,
0
],
[
3.1365683479143334,
2.2178887484653123,
5.4326957400000015
]
] | [
[
4.7048525218715,
0,
2.7163478700000008
],
[
1.5682841739571667,
4.435777496930623,
2.7163478700000003
],
[
0,
0,
5.43269574
]
] | [
63,
63,
30,
80
] | [
1,
1,
1
] | -0.393004 | 0 | 0.014927 | 225 | 225 | [
"Eu",
"Hg",
"Zn"
] |
mp-1184368 | mp-1184368 | FeRh3 | # generated using pymatgen
data_FeRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43192745
_cell_length_b 5.43192745
_cell_length_c 4.35869400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999325
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_FeRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43192745
_cell_length_b 5.43192745
_cell_length_c 4.35869400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.089673500000001,
3.1361249887872873,
-3.6946600684680706e-7
],
[
3.2690205000000003,
1.5680624943936443,
2.7159635402669964
],
[
3.269020500000001,
3.9105487170809594,
-1.3413416134575746
],
[
3.2690205000000003,
1.5872775321999433,
-1.8699672157813255... | [
[
4.358694,
0,
2.668930327781387e-16
],
[
1.8010304951990457e-15,
4.704187483180931,
-2.7159642791990106
],
[
0,
0,
5.43192745
]
] | [
26,
26,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.030239 | 0 | 0 | 194 | 194 | [
"Fe",
"Rh"
] |
mp-1217328 | mp-1217328 | ThMn3Al2 | # generated using pymatgen
data_ThMn3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14216110
_cell_length_b 5.14216110
_cell_length_c 4.19511600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 115.86883354
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_ThMn3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45984000
_cell_length_b 8.71535600
_cell_length_c 4.19511600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.4165771559260376e-16,
2.3134460595696886,
1.4492862176690762
],
[
-2.3985257751794725e-16,
3.9170898529264435,
-1.1105555647646028
],
[
4.195116,
0.7098022662129335,
4.009128000102755
],
[
2.097558,
0,
1.284383845362962e-16
],
[
2.097558,
... | [
[
4.195116,
0,
2.568767690725924e-16
],
[
-2.833154311852076e-16,
4.626892119139377,
-2.2435886646618477
],
[
0,
0,
5.1421611
]
] | [
90,
25,
25,
25,
13,
13
] | [
1,
1,
1
] | -0.198843 | 0 | 0.025329 | 65 | 65 | [
"Al",
"Mn",
"Th"
] |
mp-18765 | mp-18765 | Na2NiO2 | # generated using pymatgen
data_Na2NiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86542000
_cell_length_b 5.30536487
_cell_length_c 8.30113000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.66719972
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2NiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86542000
_cell_length_b 10.21650399
_cell_length_c 8.30113000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.0000014319776520665332,
4.038180476729331,
1.2654657628500003
],
[
1.4327114333611461,
3.5904319727094762,
6.8964127814000005
],
[
1.432710000194065,
1.0700766282809189,
5.416022461720001
],
[
2.752666227083387e-10,
1.5178251323007732,
2.7458394802700... | [
[
2.86542,
0,
1.7545637156064044e-16
],
[
-1.432709999073588,
5.108251996758253,
3.248599053177157e-16
],
[
0,
0,
8.30113
]
] | [
11,
11,
11,
11,
28,
28,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.307307 | 0 | 0.043034 | 36 | 36 | [
"Na",
"Ni",
"O"
] |
mp-21407 | mp-21407 | EuAl9Co2 | # generated using pymatgen
data_EuAl9Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89510209
_cell_length_b 7.89510209
_cell_length_c 3.90082000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000074
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_EuAl9Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89510209
_cell_length_b 7.89510209
_cell_length_c 3.90082000
_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
],
[
1.9504100000000006,
1.457424078895219,
5.370761642077118
],
[
1.950410000000002,
5.379934845532051,
1.4232185428401498
],
[
1.950410000000001,
2.9148549951493634,
0.000003985197671881499
],
[
1.308864918069554e-15,
3.418679462213... | [
[
3.90082,
0,
2.3885633635249893e-16
],
[
2.6177298361391077e-15,
6.837358924427269,
-3.9475509566925213
],
[
0,
0,
7.895102089999999
]
] | [
63,
13,
13,
13,
13,
13,
13,
13,
13,
13,
27,
27
] | [
1,
1,
1
] | -0.406125 | 0 | 0 | 191 | 191 | [
"Al",
"Co",
"Eu"
] |
mp-15886 | mp-15886 | Na2US3 | # generated using pymatgen
data_Na2US3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99484439
_cell_length_b 6.99484439
_cell_length_c 7.02904469
_cell_angle_alpha 80.34943826
_cell_angle_beta 80.34943826
_cell_angle_gamma 119.95611220
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2US3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99948400
_cell_length_b 12.11274601
_cell_length_c 7.02904469
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.57590353
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.5767709047567893,
2.896028278816164,
2.3419150781188476
],
[
-2.035941559292442,
4.863004893731545,
2.3419150781188476
],
[
5.189483368806021,
0.9290516639007832,
2.3419150781188476
],
[
-0.20101651722361577,
3.863962018388333,... | [
[
6.8958567443046555,
0,
-1.1726072668811525
],
[
-3.742314934791077,
5.792056557632328,
-1.1726072668811525
],
[
0,
0,
7.02904469
]
] | [
11,
11,
11,
11,
92,
92,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.623331 | 0 | 0 | 12 | 12 | [
"Na",
"S",
"U"
] |
mp-867333 | mp-867333 | Ba2CdPb | # generated using pymatgen
data_Ba2CdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08809322
_cell_length_b 6.08809322
_cell_length_c 6.08809322
_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_Ba2CdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.60986400
_cell_length_b 8.60986400
_cell_length_c 8.60986400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.272443389127803,
3.7281804738744517,
9.132139830000002
],
[
1.7574811297092678,
1.2427268246248178,
3.0440466100000005
],
[
3.5149622594185352,
2.485453649249635,
6.088093220000001
],
[
0,
0,
0
]
] | [
[
5.272443389127803,
0,
3.044046610000001
],
[
1.7574811297092676,
4.970907298499269,
3.0440466100000005
],
[
0,
0,
6.08809322
]
] | [
56,
56,
48,
82
] | [
1,
1,
1
] | -0.487727 | 0 | 0 | 225 | 225 | [
"Ba",
"Cd",
"Pb"
] |
mp-1008903 | mp-1008903 | MgAgSb | # generated using pymatgen
data_MgAgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64484020
_cell_length_b 4.64484020
_cell_length_c 4.64484020
_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_MgAgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56879601
_cell_length_b 6.56879601
_cell_length_c 6.56879601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6816997398127955,
1.8962480711278271,
4.644840199999999
],
[
4.022549609719193,
2.8443721066917416,
6.9672602999999995
],
[
0,
0,
0
]
] | [
[
4.022549609719193,
0,
2.3224200999999995
],
[
1.3408498699063967,
3.792496142255655,
2.3224201
],
[
0,
0,
4.644840199999999
]
] | [
12,
47,
51
] | [
1,
1,
1
] | -0.29203 | 0 | 0 | 216 | 216 | [
"Mg",
"Ag",
"Sb"
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.