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-1189879 | mp-1189879 | CdCu2SiSe4 | # generated using pymatgen
data_CdCu2SiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62962200
_cell_length_b 6.85525400
_cell_length_c 8.10158500
_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_CdCu2SiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62962200
_cell_length_b 6.85525400
_cell_length_c 8.10158500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.16774501841,
2.3863276279080003,
4.0507925
],
[
0.8529340184099997,
4.4689263720920005,
3.2586996463686786e-16
],
[
0.867061742892,
1.20470806169,
2.0173756808500003
],
[
0.867061742892,
1.20470806169,
6.08420931915
],
[
4.181872742892,
5.6... | [
[
6.629622,
0,
4.0594726809284373e-16
],
[
-4.197632434221045e-16,
6.855254,
4.197632434221045e-16
],
[
0,
0,
8.101585
]
] | [
48,
48,
29,
29,
29,
29,
14,
14,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.614439 | 0.3445 | 0 | 31 | 31 | [
"Cd",
"Cu",
"Se",
"Si"
] |
mp-1730 | mp-1730 | BaGe | # generated using pymatgen
data_BaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60036809
_cell_length_b 6.60036809
_cell_length_c 4.36416300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.56766543
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | # generated using pymatgen
data_BaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09768000
_cell_length_b 12.17674400
_cell_length_c 4.36416300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | [
[
3.27312225,
4.058929338018167,
3.095129363665758
],
[
1.09104075,
0.6433193445046269,
1.536686290179168
],
[
3.27312225,
2.6527877009912815,
-0.26369793435865324
],
[
1.0910407500000001,
2.0494609815315123,
4.895513588203579
]
] | [
[
4.364163,
0,
2.672279124453655e-16
],
[
7.561792610777026e-16,
4.702248682522793,
-1.9685524361550737
],
[
0,
0,
6.60036809
]
] | [
56,
56,
32,
32
] | [
1,
1,
1
] | -0.594659 | 0 | 0 | 63 | 63 | [
"Ba",
"Ge"
] |
mp-1190179 | mp-1190179 | Sc4Co7Ge6 | # generated using pymatgen
data_Sc4Co7Ge6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80209434
_cell_length_b 6.80209434
_cell_length_c 6.80209434
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sc4Co7Ge6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85438200
_cell_length_b 7.85438200
_cell_length_c 7.85438200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.878924205545509e-17,
1.0182595415593999e-16,
3.4010471699999996
],
[
4.80980703501761,
2.7769433858019674,
-3.4010471707539596
],
[
1.6032690116725365,
2.776943385801968,
1.1336823897486805
],
[
3.2065380233450735,
1.991433070423552e-17,
-1.13368239050... | [
[
6.413076046690147,
0,
-2.2673647810052793
],
[
-3.206538023345074,
5.553886771603936,
-2.2673647794973606
],
[
0,
0,
6.80209434
]
] | [
21,
21,
21,
21,
27,
27,
27,
27,
27,
27,
27,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.612365 | 0 | 0 | 229 | 229 | [
"Co",
"Ge",
"Sc"
] |
mp-1078562 | mp-1078562 | SrAgSF | # generated using pymatgen
data_SrAgSF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10862600
_cell_length_b 4.10862600
_cell_length_c 9.13010300
_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_SrAgSF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10862600
_cell_length_b 4.10862600
_cell_length_c 9.13010300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2579039199483983e-16,
2.054313,
7.705304776335
],
[
2.054313,
0,
1.424798223665
],
[
2.054313,
2.054313,
4.5650515
],
[
0,
0,
4.5650515
],
[
-1.2579039199483983e-16,
2.054313,
2.814746844179
],
[
2.054313,
0,
6.31535615... | [
[
4.108626,
0,
2.5158078398967965e-16
],
[
-2.5158078398967965e-16,
4.108626,
2.5158078398967965e-16
],
[
0,
0,
9.130103
]
] | [
38,
38,
47,
47,
16,
16,
9,
9
] | [
1,
1,
1
] | -2.264134 | 1.2533 | 0.005346 | 129 | 129 | [
"Ag",
"F",
"S",
"Sr"
] |
mp-978268 | mp-978268 | MgZn | # generated using pymatgen
data_MgZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14887900
_cell_length_b 4.65635500
_cell_length_c 4.95233200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | # generated using pymatgen
data_MgZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14887900
_cell_length_b 4.65635500
_cell_length_c 4.95233200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | [
[
1.5744394999999998,
3.4922662499999997,
0.9691317537440004
],
[
1.5744395,
1.16408875,
3.9832002462560006
],
[
-2.138396342416415e-16,
3.4922662499999997,
3.362846378276
],
[
-7.127987808054716e-17,
1.16408875,
1.589485621724
]
] | [
[
3.148879,
0,
1.9281322941261593e-16
],
[
-2.8511951232218866e-16,
4.656355,
2.8511951232218866e-16
],
[
0,
0,
4.952332
]
] | [
12,
12,
30,
30
] | [
1,
1,
1
] | -0.088218 | 0 | 0.019827 | 51 | 51 | [
"Mg",
"Zn"
] |
mp-1213256 | mp-1213256 | CsEuCl3 | # generated using pymatgen
data_CsEuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88130000
_cell_length_b 8.19368300
_cell_length_c 11.19117800
_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_CsEuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88130000
_cell_length_b 8.19368300
_cell_length_c 11.19117800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.13793851259999979,
3.620567288259,
2.7977945000000006
],
[
7.7433614874000005,
4.573115711741,
8.3933835
],
[
4.0785885126000005,
0.476274211741,
8.3933835
],
[
3.8027114873999994,
7.717408788259,
2.797794500000001
],
[
0,
0,
0
],
[... | [
[
7.8813,
0,
4.825904409060018e-16
],
[
-5.017183829589041e-16,
8.193683,
5.017183829589041e-16
],
[
0,
0,
11.191178
]
] | [
55,
55,
55,
55,
63,
63,
63,
63,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.604026 | 0 | 0 | 62 | 62 | [
"Cl",
"Cs",
"Eu"
] |
mp-1213983 | mp-1213983 | CaBiPd | # generated using pymatgen
data_CaBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83227400
_cell_length_b 7.53386000
_cell_length_c 8.17349900
_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_CaBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83227400
_cell_length_b 7.53386000
_cell_length_c 8.17349900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.6242055,
0.04811876382,
2.402330305583
],
[
1.2080684999999995,
7.48574123618,
5.771168694417001
],
[
1.2080684999999998,
3.71881123618,
6.489079805583
],
[
3.6242054999999995,
3.81504876382,
1.6844191944170004
],
[
3.6242054999999995,
5.25... | [
[
4.832274,
0,
2.9589144433514887e-16
],
[
-4.613158767112139e-16,
7.53386,
4.613158767112139e-16
],
[
0,
0,
8.173499
]
] | [
20,
20,
20,
20,
83,
83,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.752706 | 0 | 0 | 62 | 62 | [
"Bi",
"Ca",
"Pd"
] |
mp-1104861 | mp-1104861 | Ba3CdHg10 | # generated using pymatgen
data_Ba3CdHg10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.63214362
_cell_length_b 9.63214362
_cell_length_c 9.63214362
_cell_angle_alpha 147.65773207
_cell_angle_beta 115.74618245
_cell_angle_gamma 73.78439454
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba3CdHg10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36524400
_cell_length_b 10.24467800
_cell_length_c 15.40693001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
4.103783104691407,
2.5049311907331617,
5.11236454617181
],
[
2.6290185839620865,
6.025950053866902,
10.198099576012895
],
[
0.789919139164643,
4.265440622300031,
6.9081023377441335
],
[
5.1139407761931714,
3.686509428397737,
... | [
[
5.152963410324206,
0,
1.4942594466964374
],
[
1.579838278329286,
8.530881244600062,
4.1840610560988685
],
[
0,
0,
9.632143619389401
]
] | [
56,
56,
56,
48,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | [
1,
1,
1
] | -0.364541 | 0 | 0.01836 | 71 | 71 | [
"Ba",
"Cd",
"Hg"
] |
mp-1113575 | mp-1113575 | Cs2AgAuBr6 | # generated using pymatgen
data_Cs2AgAuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76339465
_cell_length_b 7.76339465
_cell_length_c 7.76339465
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2AgAuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.97909800
_cell_length_b 10.97909800
_cell_length_c 10.97909800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2410989955013996,
1.5846962970293985,
3.8816973249999993
],
[
6.7232969865042005,
4.754088891088199,
11.645091975000001
],
[
4.482197991002801,
3.1693925940587984,
7.76339465
],
[
0,
0,
0
],
[
3.3485425463264082,
4.7726234989782546,
5.7... | [
[
6.7232969865042005,
0,
3.881697325000001
],
[
2.2410989955014,
6.338785188117599,
3.8816973250000006
],
[
0,
0,
7.7633946499999995
]
] | [
55,
55,
47,
79,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.206763 | 0 | 0.024732 | 225 | 225 | [
"Ag",
"Au",
"Br",
"Cs"
] |
mp-1078592 | mp-1078592 | ErAlCu | # generated using pymatgen
data_ErAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96113187
_cell_length_b 6.96113187
_cell_length_c 4.01617500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999876
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96113187
_cell_length_b 6.96113187
_cell_length_c 4.01617500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.008087500000001,
3.5303177074161454,
2.038229776830378
],
[
2.008087500000002,
6.028517113840171,
-0.5958939019372748
],
[
2.0080875000000007,
2.498199406424026,
-1.4423361358324325
],
[
5.424746922620874e-16,
1.4169125198514245,
0.8180547838677873
]... | [
[
4.016175,
0,
2.45919792928281e-16
],
[
2.308059192299391e-15,
6.028517113840171,
-3.480566065469665
],
[
0,
0,
6.96113187
]
] | [
68,
68,
68,
13,
13,
13,
29,
29,
29
] | [
1,
1,
1
] | -0.463179 | 0 | 0 | 189 | 189 | [
"Al",
"Cu",
"Er"
] |
mp-1174177 | mp-1174177 | Li5Co3O8 | # generated using pymatgen
data_Li5Co3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99063782
_cell_length_b 5.79947754
_cell_length_c 5.91777435
_cell_angle_alpha 60.56167738
_cell_angle_beta 75.27653322
_cell_angle_gamma 73.02309764
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li5Co3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99063782
_cell_length_b 5.79947754
_cell_length_c 5.91777435
_cell_angle_alpha 60.56167738
_cell_angle_beta 75.27653322
_cell_angle_gamma 73.02309764
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2956767051819704,
2.398601026811718,
2.975900468549539
],
[
5.74400386203273,
2.416034059074585,
7.495574741039157
],
[
0.847349548331211,
2.3811679945488504,
4.365402939646912
],
[
3.2956767051819704,
2.398601026811718,
5.930488840343035
],
[
... | [
[
4.988075275716302,
0,
0.15990901851395803
],
[
1.6032781346476395,
4.797202053623436,
2.8373035467916234
],
[
0,
0,
5.9091767435869915
]
] | [
3,
3,
3,
3,
3,
27,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.698361 | 0.1435 | 0.075545 | 2 | 2 | [
"Co",
"Li",
"O"
] |
mp-1210625 | mp-1210625 | LuZnPt | # generated using pymatgen
data_LuZnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17782400
_cell_length_b 6.78576000
_cell_length_c 8.02690200
_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_LuZnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17782400
_cell_length_b 6.78576000
_cell_length_c 8.02690200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0444559999999998,
3.60464999808,
1.46334436911
],
[
3.133368,
3.1811100019199996,
6.56355763089
],
[
3.1333679999999995,
6.5739900019199995,
5.47679536911
],
[
1.044456,
0.21176999808,
2.5501066308900002
],
[
1.0444559999999998,
4.371393377... | [
[
4.177824,
0,
2.558179394500496e-16
],
[
-4.1550796318910717e-16,
6.78576,
4.1550796318910717e-16
],
[
0,
0,
8.026902
]
] | [
71,
71,
71,
71,
30,
30,
30,
30,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.998987 | 0 | 0 | 62 | 62 | [
"Lu",
"Pt",
"Zn"
] |
mp-672274 | mp-672274 | YbIn4Rh | # generated using pymatgen
data_YbIn4Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27560500
_cell_length_b 7.50526500
_cell_length_c 8.74301700
_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_YbIn4Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27560500
_cell_length_b 7.50526500
_cell_length_c 8.74301700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.840966589285058e-16,
3.0065266010849996,
2.18575425
],
[
-2.7546827902162713e-16,
4.498738398915,
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],
[
2.1378025,
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],
[
2.1378025,
2.36687538093,
8.191979610558
],
[
2.1378024999999994,
5... | [
[
4.275605,
0,
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],
[
-4.595649379501329e-16,
7.505265,
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],
[
0,
0,
8.743017
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] | [
70,
70,
49,
49,
49,
49,
49,
49,
49,
49,
45,
45
] | [
1,
1,
1
] | -0.417919 | 0 | 0.007005 | 51 | 51 | [
"In",
"Rh",
"Yb"
] |
mp-1114460 | mp-1114460 | Rb2NaTbCl6 | # generated using pymatgen
data_Rb2NaTbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65099437
_cell_length_b 7.65099437
_cell_length_c 7.65099437
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2NaTbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.82014000
_cell_length_b 10.82014000
_cell_length_c 10.82014000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2086518295439053,
1.5617526859505704,
3.825497184999999
],
[
6.625955488631717,
4.685258057851711,
11.476491555
],
[
4.4173036590878105,
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],
[
0,
0,
0
],
[
3.2887885894786923,
4.719466688684772,
5.6963... | [
[
6.625955488631718,
0,
3.8254971850000015
],
[
2.2086518295439044,
6.2470107438022815,
3.825497185000001
],
[
0,
0,
7.650994369999999
]
] | [
37,
37,
11,
65,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.461797 | 5.1425 | 0.000277 | 225 | 225 | [
"Cl",
"Na",
"Rb",
"Tb"
] |
mp-1208849 | mp-1208849 | SmZnGe | # generated using pymatgen
data_SmZnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28573578
_cell_length_b 4.28573578
_cell_length_c 16.16006300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999666
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmZnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28573578
_cell_length_b 4.28573578
_cell_length_c 16.16006300
_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,
12.12004725
],
[
0,
0,
4.04001575
],
[
0,
0,
0
],
[
0,
0,
8.0800315
],
[
2.1428679981807184,
1.2371853323099158,
13.857205542311
],
[
6.344051223752123e-17,
2.474370664619832,
2.3028574576890013
],
[
6.344051... | [
[
4.285735996361436,
0,
1.2140501996217917e-15
],
[
-2.142867998180718,
3.711555996929748,
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],
[
0,
0,
16.160063
]
] | [
62,
62,
62,
62,
30,
30,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.693452 | 0 | 0 | 194 | 194 | [
"Ge",
"Sm",
"Zn"
] |
mp-780664 | mp-780664 | Mn3OF5 | # generated using pymatgen
data_Mn3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87084470
_cell_length_b 5.87084470
_cell_length_c 7.57960039
_cell_angle_alpha 73.36360693
_cell_angle_beta 73.36360693
_cell_angle_gamma 73.66350039
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.39804000
_cell_length_b 7.03875800
_cell_length_c 7.57960039
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.95856647
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1990604695054703,
1.7636960915285604,
2.2305364689970943
],
[
4.5677665806130365,
3.6634518136073226,
4.648604952559409
],
[
2.278580794264675,
1.8274731853919373,
6.292606075559141
],
[
4.647286905372241,
3.7272289074706992,
8.710674559121456
],
[... | [
[
5.625096529921964,
0,
1.6808053190592753
],
[
1.221250844955748,
5.490924998999259,
1.6808053190592744
],
[
0,
0,
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] | [
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25,
25,
25,
25,
25,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.723719 | 0 | 0.050857 | 12 | 12 | [
"F",
"Mn",
"O"
] |
mp-1173964 | mp-1173964 | Li3Mn2O5 | # generated using pymatgen
data_Li3Mn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88078700
_cell_length_b 12.24810742
_cell_length_c 5.20649626
_cell_angle_alpha 91.54405312
_cell_angle_beta 89.99875137
_cell_angle_gamma 96.75287149
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li3Mn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 24.32627395
_cell_length_b 2.88078700
_cell_length_c 5.20649626
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.55469444
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.569741293882563,
1.5612281663948229,
2.7966073675511827
],
[
1.1309794254322458,
4.1637313785354015,
2.697129105592879
],
[
1.4088350671010899,
2.6167325329002606,
0.3532596113981161
],
[
0.8699218632854488,
0.5060933250444459,
4.901157160154346
],
... | [
[
2.8608017277017495,
0,
0.33874358170699914
],
[
-0.0164975138679859,
5.204579648749959,
0.14029190015075318
],
[
0,
0,
12.24810742
]
] | [
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3,
3,
3,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.117878 | 1.2401 | 0.054137 | 12 | 12 | [
"Li",
"Mn",
"O"
] |
mp-1114424 | mp-1114424 | Rb2LiNdF6 | # generated using pymatgen
data_Rb2LiNdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27021847
_cell_length_b 6.27021847
_cell_length_c 6.27021847
_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_Rb2LiNdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86742800
_cell_length_b 8.86742800
_cell_length_c 8.86742800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.8100561607661316,
1.2799029856062203,
3.135109235000001
],
[
5.430168482298394,
3.839708956818658,
9.405327705
],
[
3.620112321532263,
2.5598059712124397,
6.27021847
],
[
0,
0,
0
],
[
2.7420323572706824,
3.801598565519247,
4.74933935879... | [
[
5.430168482298395,
0,
3.135109234999999
],
[
1.81005616076613,
5.119611942424877,
3.1351092350000003
],
[
0,
0,
6.270218469999999
]
] | [
37,
37,
3,
60,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.531285 | 6.5983 | 0.050833 | 225 | 225 | [
"F",
"Li",
"Nd",
"Rb"
] |
mp-505381 | mp-505381 | NaLi3(H2N)4 | # generated using pymatgen
data_NaLi3(H2N)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87598843
_cell_length_b 6.87598843
_cell_length_c 6.87598843
_cell_angle_alpha 136.31203490
_cell_angle_beta 136.31203490
_cell_angle_gamma 63.49829158
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_NaLi3(H2N)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11684200
_cell_length_b 5.11684200
_cell_length_c 11.69413201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0.6149695867409595,
3.51580146324234,
1.534117241671113
],
[
0,
0,
0
],
[
-0.34101199694458534,
2.3915934750912538,
-0.8506963531322962
],
[
1.5709511704265045,
4.640009451393427,
3.918930836474524
],
[
2.138491703326311,
2.0639676560699116,
... | [
[
4.749455184464354,
0,
-1.903876973650439
],
[
-0.7631922791668387,
4.687735284323121,
-1.9038769732217025
],
[
0,
0,
6.8759884300000005
]
] | [
11,
3,
3,
3,
1,
1,
1,
1,
1,
1,
1,
1,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.560306 | 2.5906 | 0.001868 | 82 | 82 | [
"H",
"Li",
"N",
"Na"
] |
mp-5246 | mp-5246 | KNbO3 | # generated using pymatgen
data_KNbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13066084
_cell_length_b 4.13066084
_cell_length_c 4.01755100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.35217280
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | # generated using pymatgen
data_KNbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82365599
_cell_length_b 5.85956199
_cell_length_c 4.01755100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | [
[
2.0087755,
2.023287509027918,
2.0357621747466332
],
[
-1.2251699154653124e-18,
0.02000854313779885,
0.020131906666733406
],
[
-1.1685753613190953e-16,
1.9084283927948913,
4.025117693868748
],
[
-2.4574445012291243e-16,
4.013311434676665,
1.93313287391593... | [
[
4.017551,
0,
2.4600404862806243e-16
],
[
-2.5292525092183427e-16,
4.1305828112714735,
0.0253892563528909
],
[
0,
0,
4.13066084
]
] | [
19,
41,
8,
8,
8
] | [
1,
1,
1
] | -2.856187 | 2.1256 | 0.000135 | 38 | 38 | [
"K",
"Nb",
"O"
] |
mp-248 | mp-248 | Fe2N | # generated using pymatgen
data_Fe2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75226010
_cell_length_b 4.75226010
_cell_length_c 4.32056700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000138
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | # generated using pymatgen
data_Fe2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75226010
_cell_length_b 4.75226010
_cell_length_c 4.32056700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | [
[
1.0887958457009999,
2.320413022996354e-16,
3.1827976884144
],
[
1.0887958457010003,
1.35919429981724,
0.7847312385297339
],
[
1.088795845701001,
2.7563836149435517,
-1.5913987778182015
],
[
3.2317711542990004,
1.3591942998172404,
-0.784731173055866
],
... | [
[
4.320567,
0,
2.6455842735258407e-16
],
[
1.575677278244821e-15,
4.115577914760792,
-2.3761299508740676
],
[
0,
0,
4.7522601
]
] | [
26,
26,
26,
26,
26,
26,
7,
7,
7
] | [
1,
1,
1
] | -0.149965 | 0 | 0.060402 | 162 | 162 | [
"Fe",
"N"
] |
mp-983602 | mp-983602 | CdAg2Au | # generated using pymatgen
data_CdAg2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73505429
_cell_length_b 4.73505429
_cell_length_c 4.73505429
_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_CdAg2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69637800
_cell_length_b 6.69637800
_cell_length_c 6.69637800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.3668924344794957,
0.9665389095730398,
2.3675271449999995
],
[
4.100677303438487,
2.8996167287191206,
7.102581434999998
],
[
2.7337848689589914,
1.93307781914608,
4.735054289999998
]
] | [
[
4.100677303438488,
0,
2.367527144999999
],
[
1.3668924344794953,
3.866155638292161,
2.367527144999999
],
[
0,
0,
4.735054289999999
]
] | [
48,
47,
47,
79
] | [
1,
1,
1
] | -0.072224 | 0 | 0.016796 | 225 | 225 | [
"Cd",
"Ag",
"Au"
] |
mp-1215402 | mp-1215402 | ZrGa6(FeCo)3 | # generated using pymatgen
data_ZrGa6(FeCo)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97837200
_cell_length_b 6.46111783
_cell_length_c 6.47991457
_cell_angle_alpha 80.18041710
_cell_angle_beta 67.85163707
_cell_angle_gamma 67.89008696
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_ZrGa6(FeCo)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97837200
_cell_length_b 6.46111783
_cell_length_c 6.47991457
_cell_angle_alpha 80.18041710
_cell_angle_beta 67.85163707
_cell_angle_gamma 67.89008696
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
4.9179334104597485,
4.958931634751161,
7.519456077868707
],
[
1.870167721320691,
1.0237217306145543,
1.9392552874761246
],
[
1.4655053221644285,
3.987611964963845,
2.9271071749526687
],
[
5.322595809616011,
1.9950414004018706,
... | [
[
4.611021578319113,
0,
1.8768771336077161
],
[
2.1770795534613265,
5.9826533653657155,
1.101919661737115
],
[
0,
0,
6.47991457
]
] | [
40,
31,
31,
31,
31,
31,
31,
26,
26,
26,
27,
27,
27
] | [
1,
1,
1
] | -0.303255 | 0 | 0.029775 | 2 | 2 | [
"Co",
"Fe",
"Ga",
"Zr"
] |
mp-21426 | mp-21426 | Dy(FeGe)2 | # generated using pymatgen
data_Dy(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81413461
_cell_length_b 5.81413461
_cell_length_c 5.81413461
_cell_angle_alpha 139.99983540
_cell_angle_beta 139.99983540
_cell_angle_gamma 57.85354853
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97711800
_cell_length_b 3.97711800
_cell_length_c 10.17751000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.679175786590931,
0.9260818139892887,
1.5468074675192196
],
[
0.5629943932920206,
2.7782454419678664,
1.5468074679002697
],
[
2.0354409232708766,
2.325584059944413,
-0.22183162988655367
],
[
1.2067292566120746,
1.378743196012741... | [
[
3.7372664832403855,
0,
-1.3602598376713053
],
[
-0.49509630335743443,
3.7043272559571556,
-1.3602598369092052
],
[
0,
0,
5.81413461
]
] | [
66,
26,
26,
32,
32
] | [
1,
1,
1
] | -0.456792 | 0 | 0 | 139 | 139 | [
"Dy",
"Fe",
"Ge"
] |
mp-1078737 | mp-1078737 | HoCoGe2 | # generated using pymatgen
data_HoCoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50526491
_cell_length_b 8.50526491
_cell_length_c 4.18946700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.88333068
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoCoGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13202200
_cell_length_b 16.50104600
_cell_length_c 4.18946700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5746895988220917,
1.0473667499999997,
5.770098944683863
],
[
0.43357385813954014,
3.1421002499999995,
1.7314579103205243
],
[
2.730837909754873,
1.0473667499999997,
2.4002147721410183
],
[
1.2774255472067584,
3.1421002499999995,
5.101342082863368
],
... | [
[
4.008263456961631,
0,
-1.0037080549956126
],
[
6.737176772772828e-16,
4.189467,
2.5653086758417318e-16
],
[
0,
0,
8.50526491
]
] | [
67,
67,
27,
27,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.616546 | 0 | 0.0105 | 63 | 63 | [
"Co",
"Ge",
"Ho"
] |
mp-1103035 | mp-1103035 | ErGaRh | # generated using pymatgen
data_ErGaRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35862900
_cell_length_b 6.75933400
_cell_length_c 7.75905800
_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_ErGaRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35862900
_cell_length_b 6.75933400
_cell_length_c 7.75905800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0896572499999995,
6.625201776104,
2.3850490795620005
],
[
1.0896572499999997,
3.2455347761040003,
1.4944799204380002
],
[
3.2689717499999995,
0.134132223896,
5.3740089204379995
],
[
3.2689717499999995,
3.5137992238959996,
6.264578079562
],
[
1.... | [
[
4.358629,
0,
2.668890526760414e-16
],
[
-4.138898373733938e-16,
6.759334,
4.138898373733938e-16
],
[
0,
0,
7.759058
]
] | [
68,
68,
68,
68,
31,
31,
31,
31,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.909515 | 0 | 0 | 62 | 62 | [
"Er",
"Ga",
"Rh"
] |
mp-997001 | mp-997001 | AgHgO2 | # generated using pymatgen
data_AgHgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90488000
_cell_length_b 5.68666000
_cell_length_c 6.13413999
_cell_angle_alpha 72.11631788
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AgHgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68666000
_cell_length_b 3.90488000
_cell_length_c 6.13413999
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.88368212
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9524399999999997,
2.7059456986481685,
5.260994317808083
],
[
3.90488,
2.7059456986481685,
2.1939243228080825
],
[
1.95244,
0,
3.067069995
],
[
0,
0,
0
],
[
1.1571721391999998,
3.882545007334365,
3.6243251498747937
],
[
2.7477078... | [
[
3.90488,
0,
2.391049396527258e-16
],
[
-3.313827738516028e-16,
5.411891397296337,
-1.7462913443838348
],
[
0,
0,
6.13413999
]
] | [
47,
47,
80,
80,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.50798 | 0 | 0.03361 | 14 | 14 | [
"Ag",
"Hg",
"O"
] |
mp-1207742 | mp-1207742 | Y2OsC2 | # generated using pymatgen
data_Y2OsC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14337200
_cell_length_b 6.45722000
_cell_length_c 9.83736300
_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_Y2OsC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14337200
_cell_length_b 6.45722000
_cell_length_c 9.83736300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2858429999999998,
4.4343473189400004,
5.431040877129
],
[
3.8575290000000004,
2.0228726810600004,
4.406322122871001
],
[
3.857529,
5.251482681060001,
0.5123593771290005
],
[
1.285843,
1.20573731894,
9.325003622871
],
[
1.2858429999999998,
3... | [
[
5.143372,
0,
3.1494070283120603e-16
],
[
-3.9539069021951364e-16,
6.45722,
3.9539069021951364e-16
],
[
0,
0,
9.837363
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
76,
76,
76,
76,
6,
6,
6,
6,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.378251 | 0 | 0 | 62 | 62 | [
"C",
"Os",
"Y"
] |
mp-1106276 | mp-1106276 | Tb3Ir | # generated using pymatgen
data_Tb3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37004200
_cell_length_b 7.26395700
_cell_length_c 9.35835700
_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_Tb3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37004200
_cell_length_b 7.26395700
_cell_length_c 9.35835700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
2.0940047965339996,
4.913224291488,
0.5942743862140004
],
[
1.091016203466,
1.2812457914880002,
4.084904113786
],
[
4.276037203466,
2.3507327085120004,
5.273452886214
],
[
5.2790257965339995,
5.982711208512001,
8.764082613786002
],
[
4.2760372034... | [
[
6.370042,
0,
3.900525772867102e-16
],
[
-4.447890844597005e-16,
7.263957,
4.447890844597005e-16
],
[
0,
0,
9.358357
]
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.565667 | 0 | 0 | 62 | 62 | [
"Ir",
"Tb"
] |
mp-1220038 | mp-1220038 | OsPt3 | # generated using pymatgen
data_OsPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.21823735
_cell_length_b 9.21823735
_cell_length_c 9.21823704
_cell_angle_alpha 17.43327177
_cell_angle_beta 17.43327177
_cell_angle_gamma 17.43327414
_symmetry_Int_Tables_number 1
_chemical_formula_structural O... | # generated using pymatgen
data_OsPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79400779
_cell_length_b 2.79400779
_cell_length_c 27.22799376
_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
],
[
1.040281816197386,
0.610019828100927,
2.4331408183739045
],
[
2.0550725129442116,
1.205091698770307,
5.0325439856382745
],
[
3.069863209691037,
1.8001635694396874,
7.631947152902641
]
] | [
[
2.7617366298052444,
0,
0.42342546563827266
],
[
1.3484083960831788,
2.410183397540614,
0.42342546563827266
],
[
0,
0,
9.21823704
]
] | [
76,
78,
78,
78
] | [
1,
1,
1
] | 0.07754 | 0 | 0.07754 | 166 | 166 | [
"Os",
"Pt"
] |
mp-560170 | mp-560170 | Nd5Te2Cl3O10 | # generated using pymatgen
data_Nd5Te2Cl3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01467291
_cell_length_b 7.01467291
_cell_length_c 10.24414050
_cell_angle_alpha 89.67914056
_cell_angle_beta 89.67914056
_cell_angle_gamma 48.01853510
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Nd5Te2Cl3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.81552200
_cell_length_b 5.70832200
_cell_length_c 10.24414050
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.35125005
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
-1.6336971505382337e-15,
5.092049453984297,
2.402059459090099
],
[
2.8541609996269677,
2.685262756995367,
1.0879275158584676
],
[
2.8541609996269672,
1.315591135211279,
7.881363380321666
],
[
-1.25152377386686e-15,
3.722377832200207,
9.195495323553297
... | [
[
5.708321999253938,
0,
3.4953391324443775e-16
],
[
-2.854160999626971,
6.407640589195575,
0.03928233941176523
],
[
0,
0,
10.2441405
]
] | [
60,
60,
60,
60,
60,
52,
52,
17,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.036891 | 3.386 | 0 | 12 | 12 | [
"Cl",
"Nd",
"O",
"Te"
] |
mp-1215616 | mp-1215616 | ZnFe4NiO8 | # generated using pymatgen
data_ZnFe4NiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03528224
_cell_length_b 6.03528224
_cell_length_c 6.03528224
_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_ZnFe4NiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.53517800
_cell_length_b 8.53517800
_cell_length_c 8.53517800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.484471825899367,
2.4638936569469143,
6.035282239999999
],
[
0.8719977856108807,
0.6165992432255935,
4.524931735952158
],
[
0.8719977856108833,
0.616599243225594,
1.5103505040478395
],
[
1.7422324284778565,
3.0779945120043637,
3.017641119999998
],
[... | [
[
5.2267077388490515,
0,
3.017641119999999
],
[
1.7422359129496825,
4.927787313893828,
3.0176411199999986
],
[
0,
0,
6.035282239999999
]
] | [
30,
26,
26,
26,
26,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.626809 | 0 | 0.041228 | 216 | 216 | [
"Fe",
"Ni",
"O",
"Zn"
] |
mp-1183908 | mp-1183908 | CaSmIn2 | # generated using pymatgen
data_CaSmIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59170709
_cell_length_b 5.59170709
_cell_length_c 5.59170709
_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_CaSmIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90786800
_cell_length_b 7.90786800
_cell_length_c 7.90786800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.228373593641038,
2.2828048602671625,
5.591707089999999
],
[
0,
0,
0
],
[
1.6141867968205175,
1.141402430133582,
2.795853544999999
],
[
4.842560390461557,
3.424207290400743,
8.387560635
]
] | [
[
4.842560390461558,
0,
2.7958535450000004
],
[
1.6141867968205192,
4.565609720534323,
2.795853545
],
[
0,
0,
5.591707089999999
]
] | [
20,
62,
49,
49
] | [
1,
1,
1
] | -0.432347 | 0 | 0.044575 | 225 | 225 | [
"Ca",
"In",
"Sm"
] |
mp-23443 | mp-23443 | MnTlI3 | # generated using pymatgen
data_MnTlI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32292800
_cell_length_b 10.24003600
_cell_length_c 16.43102100
_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_MnTlI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32292800
_cell_length_b 10.24003600
_cell_length_c 16.43102100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.080732,
1.6597562350600001,
0.9167523856740003
],
[
3.2421959999999994,
8.58027976494,
15.514268614326001
],
[
1.0807319999999996,
6.7797742350600005,
7.2987581143260005
],
[
3.242196,
3.4602617649400003,
9.132262885674
],
[
1.0807319999999998,... | [
[
4.322928,
0,
2.647029969072235e-16
],
[
-6.270213655276833e-16,
10.240036,
6.270213655276833e-16
],
[
0,
0,
16.431021
]
] | [
25,
25,
25,
25,
81,
81,
81,
81,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.755026 | 0.0018 | 0.017022 | 62 | 62 | [
"I",
"Mn",
"Tl"
] |
mp-1276496 | mp-1276496 | NaV2O4 | # generated using pymatgen
data_NaV2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08483132
_cell_length_b 6.07680469
_cell_length_c 6.66091390
_cell_angle_alpha 117.10232620
_cell_angle_beta 102.26080571
_cell_angle_gamma 89.63871637
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaV2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08483132
_cell_length_b 6.07680469
_cell_length_c 6.66091390
_cell_angle_alpha 117.10232620
_cell_angle_beta 102.26080571
_cell_angle_gamma 89.63871637
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0852304813587024,
1.6271828405913635,
1.1137564419030428
],
[
3.3218253426481805,
3.7591863014415807,
9.396376707090413
],
[
3.6351857143603183,
0.7312955820422702,
4.4806990596859855
],
[
1.0190218302495724,
2.0165062877470525,
4.632034792303986
],
... | [
[
4.968851775595499,
0,
1.0798247936653445
],
[
-0.5624300889033274,
5.380219551086053,
2.768477057447578
],
[
0,
0,
6.6609139
]
] | [
11,
11,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.411288 | 0.758 | 0.030974 | 2 | 2 | [
"Na",
"O",
"V"
] |
mp-1079288 | mp-1079288 | Pr(PRh)2 | # generated using pymatgen
data_Pr(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18549000
_cell_length_b 4.18549000
_cell_length_c 9.63798900
_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_Pr(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18549000
_cell_length_b 4.18549000
_cell_length_c 9.63798900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2814367328408137e-16,
2.092745,
2.482996554114
],
[
2.092745,
0,
7.154992445885999
],
[
0,
0,
4.8189945
],
[
2.092745,
2.092745,
4.8189945
],
[
-1.2814367328408137e-16,
2.092745,
8.310192169437
],
[
2.092745,
0,
1.32779... | [
[
4.18549,
0,
2.5628734656816274e-16
],
[
-2.5628734656816274e-16,
4.18549,
2.5628734656816274e-16
],
[
0,
0,
9.637989
]
] | [
59,
59,
15,
15,
15,
15,
45,
45,
45,
45
] | [
1,
1,
1
] | -1.094017 | 0 | 0 | 129 | 129 | [
"P",
"Pr",
"Rh"
] |
mp-1227735 | mp-1227735 | BaSr(FeO3)2 | # generated using pymatgen
data_BaSr(FeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98661704
_cell_length_b 3.98618504
_cell_length_c 15.84886700
_cell_angle_alpha 89.99999639
_cell_angle_beta 89.99999639
_cell_angle_gamma 90.01524955
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_BaSr(FeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98640104
_cell_length_b 3.98640104
_cell_length_c 7.92443350
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.9936190625526928,
1.9933084493985955,
5.939664036736861
],
[
1.9936270349227725,
1.9933084493985955,
13.871213678019359
],
[
1.9936230476766754,
1.9933044627816972,
1.9786201028943586
],
[
1.9936190625526928,
1.9933084493985955,
9.908093542600863
],
... | [
[
3.986185039999992,
0,
-2.5115511260079304e-7
],
[
0.001061057475473544,
3.986616898797191,
2.5118233184768933e-7
],
[
0,
0,
15.848867
]
] | [
56,
56,
38,
38,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.181581 | 0 | 0.005348 | 123 | 123 | [
"Ba",
"Fe",
"O",
"Sr"
] |
mp-12921 | mp-12921 | PrPIr | # generated using pymatgen
data_PrPIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71949205
_cell_length_b 7.71949205
_cell_length_c 7.71949205
_cell_angle_alpha 148.87437891
_cell_angle_beta 148.87437891
_cell_angle_gamma 44.59624682
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrPIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14219600
_cell_length_b 4.14219600
_cell_length_c 14.28449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.764530765771913,
2.9879643266585267,
2.2068149933685417
],
[
1.9990815480672248,
0.00423292028850334,
-0.5416022293768196
],
[
1.2134482926761168,
1.3115210203669236,
4.356999923273143
],
[
0.1384879275943092,
2.3060981558235976,
0.49725389803394976
... | [
[
3.9903303129501113,
0,
-1.111328801537061
],
[
-0.3095111473771197,
3.9783085418266966,
-1.111328802493833
],
[
0,
0,
7.71949205
]
] | [
59,
59,
15,
15,
77,
77
] | [
1,
1,
1
] | -1.127811 | 0 | 0 | 109 | 109 | [
"Ir",
"P",
"Pr"
] |
mp-28513 | mp-28513 | Pb(ClO3)2 | # generated using pymatgen
data_Pb(ClO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70431665
_cell_length_b 7.45430719
_cell_length_c 7.09291891
_cell_angle_alpha 73.45608979
_cell_angle_beta 55.17889294
_cell_angle_gamma 51.36501727
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pb(ClO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76029200
_cell_length_b 11.87501000
_cell_length_c 12.72967599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4080903800156923,
4.315674053213134,
-3.0127881260072495
],
[
5.000566417107143,
2.8691059054518866,
0.714365469870275
],
[
2.736897171871008,
0.07841556615384117,
-0.528793280712927
],
[
5.287572463692152,
2.1173070802425915,
4.430549096692891
],
... | [
[
6.7992847590470165,
0,
-2.0197092187735906
],
[
-3.5706193893187854,
5.786272591044994,
-2.0197092222836908
],
[
0,
0,
7.45430719
]
] | [
82,
82,
17,
17,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.720551 | 4.3425 | 0 | 43 | 43 | [
"Cl",
"O",
"Pb"
] |
mp-866311 | mp-866311 | Bi3BrO4 | # generated using pymatgen
data_Bi3BrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99057600
_cell_length_b 3.99057600
_cell_length_c 9.45269300
_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_Bi3BrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99057600
_cell_length_b 3.99057600
_cell_length_c 9.45269300
_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,
6.867409822579
],
[
0,
0,
2.585283177421
],
[
1.9952879999999997,
1.995288,
2.443523062577124e-16
],
[
1.9952879999999997,
1.995288,
4.7263465
],
[
-1.221761531288562e-16,
1.995288,
7.959904816054
],
[
1.995288,
0,
1... | [
[
3.990576,
0,
2.443523062577124e-16
],
[
-2.443523062577124e-16,
3.990576,
2.443523062577124e-16
],
[
0,
0,
9.452693
]
] | [
83,
83,
83,
35,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.63014 | 0.9388 | 0 | 123 | 123 | [
"Bi",
"Br",
"O"
] |
mp-1185060 | mp-1185060 | LaLuMg2 | # generated using pymatgen
data_LaLuMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44942448
_cell_length_b 5.44942448
_cell_length_c 5.44942448
_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_LaLuMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70665001
_cell_length_b 7.70665001
_cell_length_c 7.70665001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1462266904565364,
2.224718227971925,
5.44942448
],
[
0,
0,
0
],
[
4.719340035684804,
3.3370773419578885,
8.17413672
],
[
1.5731133452282675,
1.112359113985962,
2.72471224
]
] | [
[
4.719340035684804,
0,
2.7247122400000006
],
[
1.5731133452282673,
4.449436455943852,
2.7247122400000006
],
[
0,
0,
5.449424479999999
]
] | [
57,
71,
12,
12
] | [
1,
1,
1
] | -0.079731 | 0 | 0.014032 | 225 | 225 | [
"La",
"Lu",
"Mg"
] |
mp-1113323 | mp-1113323 | Cs2YCuI6 | # generated using pymatgen
data_Cs2YCuI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41734821
_cell_length_b 8.41734821
_cell_length_c 8.41734821
_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_Cs2YCuI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.90392800
_cell_length_b 11.90392800
_cell_length_c 11.90392800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4298791274531575,
1.7181840084857782,
4.208674105000002
],
[
7.289637382359472,
5.154552025457336,
12.626022314999998
],
[
4.859758254906314,
3.436368016971558,
8.41734821
],
[
0,
0,
0
],
[
3.6176137644687705,
5.193025601775348,
6.26589... | [
[
7.289637382359473,
0,
4.208674104999999
],
[
2.429879127453157,
6.872736033943113,
4.208674105
],
[
0,
0,
8.417348209999998
]
] | [
55,
55,
39,
29,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.397126 | 1.789 | 0.066804 | 225 | 225 | [
"Cs",
"Cu",
"I",
"Y"
] |
mp-28912 | mp-28912 | MnInBr3 | # generated using pymatgen
data_MnInBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01734300
_cell_length_b 9.58492100
_cell_length_c 15.50029300
_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_MnInBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01734300
_cell_length_b 9.58492100
_cell_length_c 15.50029300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.00433575,
1.559351627648,
8.598462035597
],
[
3.01300725,
8.025569372351999,
6.901830964403
],
[
1.0043357499999996,
6.351812127648,
14.651977464403
],
[
3.0130072500000002,
3.233108872352,
0.8483155355970003
],
[
1.0043357499999999,
4.4021... | [
[
4.017343,
0,
2.459913123013513e-16
],
[
-5.869071411365123e-16,
9.584921,
5.869071411365123e-16
],
[
0,
0,
15.500293
]
] | [
25,
25,
25,
25,
49,
49,
49,
49,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.072754 | 1.6361 | 0.004096 | 62 | 62 | [
"Br",
"In",
"Mn"
] |
mp-510482 | mp-510482 | Er(Ni2As)2 | # generated using pymatgen
data_Er(Ni2As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20882200
_cell_length_b 7.20882200
_cell_length_c 3.77493600
_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_Er(Ni2As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20882200
_cell_length_b 7.20882200
_cell_length_c 3.77493600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.887468,
0,
1.155740822346528e-16
],
[
3.774936,
3.604411,
3.6044110000000003
],
[
3.774936,
0.6515477500040001,
2.501338684026
],
[
1.8874679999999995,
6.105749684026,
2.952863249996
],
[
1.887468,
1.103072315974,
4.255958750004
],
... | [
[
3.774936,
0,
2.311481644693056e-16
],
[
-4.4141303939615104e-16,
7.208822,
4.4141303939615104e-16
],
[
0,
0,
7.208822
]
] | [
68,
68,
28,
28,
28,
28,
28,
28,
28,
28,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.626932 | 0 | 0 | 136 | 136 | [
"As",
"Er",
"Ni"
] |
mp-1214720 | mp-1214720 | Ba2Gd(CuO2)4 | # generated using pymatgen
data_Ba2Gd(CuO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.83769943
_cell_length_b 13.83769943
_cell_length_c 3.89956500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 163.73601607
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Ba2Gd(CuO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91479600
_cell_length_b 27.39711799
_cell_length_c 3.89956500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.9497825000000004,
1.4131259183851776,
9.889551726778583
],
[
1.9497825000000009,
2.462306137015612,
3.3943841319567456
],
[
1.9497825000000006,
1.9377160277003953,
13.560817644367665
],
[
9.138773828019022e-17,
0.23869948658830092,
1.6705028823390755
... | [
[
3.899565,
0,
2.3877948976585243e-16
],
[
1.4837357862125598e-15,
3.8754320554007906,
-0.5537635712646706
],
[
0,
0,
13.83769943
]
] | [
56,
56,
64,
29,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.044585 | 0 | 0 | 65 | 65 | [
"Ba",
"Cu",
"Gd",
"O"
] |
mp-1273130 | mp-1273130 | Mg3FeO4 | # generated using pymatgen
data_Mg3FeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04265284
_cell_length_b 10.09958494
_cell_length_c 5.21414730
_cell_angle_alpha 93.81852360
_cell_angle_beta 89.95728618
_cell_angle_gamma 98.63857306
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg3FeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21414730
_cell_length_b 3.04265284
_cell_length_c 10.14870299
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.99509491
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.7154367303372609,
3.902168045510908,
5.424377521134692
],
[
2.243759464807073,
1.3003671884159076,
5.479284483121513
],
[
0.3593590646370945,
1.9862076398134794,
7.727089881329612
],
[
1.8399816725012381,
4.587930461767272,
8.130380600722413
],
[
... | [
[
3.0081354215588942,
0,
0.4570093985059401
],
[
-0.04882311081344156,
5.202342747245167,
0.347243877027939
],
[
0,
0,
10.09958494
]
] | [
12,
12,
12,
12,
12,
12,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.657832 | 2.8776 | 0.002574 | 12 | 12 | [
"Fe",
"Mg",
"O"
] |
mp-570308 | mp-570308 | Eu(NiSb)2 | # generated using pymatgen
data_Eu(NiSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22142318
_cell_length_b 6.22142318
_cell_length_c 6.22142318
_cell_angle_alpha 138.63442768
_cell_angle_beta 138.63442768
_cell_angle_gamma 59.93271935
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu(NiSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39473600
_cell_length_b 4.39473600
_cell_length_c 10.77947200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
0.5883798990584018,
3.0521418593762415,
1.5585181497487501
],
[
2.9371240201314848,
1.0173806197920805,
1.5585181496808524
],
[
1.2796556830522725,
1.477118643786205,
3.389589975708042
],
[
2.2458482361376135,
2.5924038353821173,... | [
[
4.111496080668026,
0,
-1.5521934403530966
],
[
-0.5859921614781393,
4.069522479168322,
-1.5521934402173014
],
[
0,
0,
6.22142318
]
] | [
63,
28,
28,
51,
51
] | [
1,
1,
1
] | -0.617687 | 0 | 0 | 139 | 139 | [
"Eu",
"Ni",
"Sb"
] |
mp-1095100 | mp-1095100 | U2SnIr2 | # generated using pymatgen
data_U2SnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69275400
_cell_length_b 7.69275400
_cell_length_c 3.53031700
_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_U2SnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69275400
_cell_length_b 7.69275400
_cell_length_c 3.53031700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.530317,
1.3065988813920002,
2.5397781186080004
],
[
3.5303169999999997,
6.386155118608,
5.152975881392002
],
[
3.5303169999999997,
5.152975881392001,
1.3065988813920006
],
[
3.530317,
2.539778118608,
6.386155118608001
],
[
1.7651584999999999,
... | [
[
3.530317,
0,
2.1616957070127434e-16
],
[
-4.710453281363999e-16,
7.692754,
4.710453281363999e-16
],
[
0,
0,
7.692754
]
] | [
92,
92,
92,
92,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.526189 | 0 | 0 | 127 | 127 | [
"Ir",
"Sn",
"U"
] |
mp-1183243 | mp-1183243 | AcSnPd2 | # generated using pymatgen
data_AcSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08957359
_cell_length_b 5.08957359
_cell_length_c 5.08957359
_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_AcSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19774400
_cell_length_b 7.19774400
_cell_length_c 7.19774400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.93846668224691,
2.0778097173075256,
5.089573589999999
],
[
0,
0,
0
],
[
4.4077000233703645,
3.1167145759612893,
7.634360384999997
],
[
1.4692333411234548,
1.0389048586537635,
2.544786795
]
] | [
[
4.4077000233703645,
0,
2.544786794999999
],
[
1.469233341123454,
4.155619434615052,
2.544786794999999
],
[
0,
0,
5.089573589999999
]
] | [
89,
50,
46,
46
] | [
1,
1,
1
] | -0.669024 | 0 | 0 | 225 | 225 | [
"Ac",
"Pd",
"Sn"
] |
mp-557296 | mp-557296 | Sr2MnSbO6 | # generated using pymatgen
data_Sr2MnSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74008525
_cell_length_b 5.74008525
_cell_length_c 5.74008525
_cell_angle_alpha 121.64546057
_cell_angle_beta 121.64546057
_cell_angle_gamma 87.17284948
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sr2MnSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59673600
_cell_length_b 5.59673600
_cell_length_c 8.31549199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.2840785342108583,
1.1607607591280007,
0.141559297471054
],
[
0.07904113351142456,
3.482282277384002,
0.14155929772275533
],
[
0,
0,
0
],
[
1.681559833861142,
2.3215215182560014,
-2.7284833274030955
],
[
2.4796180416526363,
3.42330170169119,... | [
[
4.8865972345605755,
0,
-2.728483327654797
],
[
-1.5234775668382927,
4.643043036512003,
-2.7284833271513937
],
[
0,
0,
5.74008525
]
] | [
38,
38,
25,
51,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.567813 | 0.2077 | 0.019964 | 139 | 139 | [
"Mn",
"O",
"Sb",
"Sr"
] |
mp-1205657 | mp-1205657 | Gd2MgNi2 | # generated using pymatgen
data_Gd2MgNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36702000
_cell_length_b 7.36702000
_cell_length_c 3.79798300
_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_Gd2MgNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36702000
_cell_length_b 7.36702000
_cell_length_c 3.79798300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8989914999999997,
4.96896658576,
1.2854565857600004
],
[
1.8989914999999997,
2.39805341424,
6.0815634142400015
],
[
1.8989915,
1.28545658576,
2.3980534142400005
],
[
1.8989914999999995,
6.0815634142400015,
4.9689665857600005
],
[
0,
0,
... | [
[
3.797983,
0,
2.3255938620830307e-16
],
[
-4.510998731127267e-16,
7.36702,
4.510998731127267e-16
],
[
0,
0,
7.36702
]
] | [
64,
64,
64,
64,
12,
12,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.358493 | 0 | 0 | 127 | 127 | [
"Gd",
"Mg",
"Ni"
] |
mp-6644 | mp-6644 | LiLa2RuO6 | # generated using pymatgen
data_LiLa2RuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79495500
_cell_length_b 5.56670500
_cell_length_c 9.63658138
_cell_angle_alpha 54.88973010
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LiLa2RuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56670500
_cell_length_b 5.79495500
_cell_length_c 9.63658138
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.11026990
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.7833393775512327,
2.3413775151637083e-34,
7.891757017914836
],
[
-1.7741932729882376e-16,
2.8974775,
3.9416050844241095
],
[
2.718315003012882,
3.242503325745,
1.9686650502662089
],
[
0.06502437453835093,
0.345025825745,
1.9814868832245185
],
[
... | [
[
5.5666787551024655,
0,
0.01709369813323347
],
[
-3.548386545976475e-16,
5.794955,
3.548386545976475e-16
],
[
0,
0,
7.883210168848219
]
] | [
3,
3,
57,
57,
57,
57,
44,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.862338 | 0.329 | 0 | 14 | 14 | [
"La",
"Li",
"O",
"Ru"
] |
mp-11262 | mp-11262 | YbAu4 | # generated using pymatgen
data_YbAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20561689
_cell_length_b 5.20561689
_cell_length_c 5.20561689
_cell_angle_alpha 100.00316193
_cell_angle_beta 100.00316193
_cell_angle_gamma 130.73753690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69199201
_cell_length_b 6.69199201
_cell_length_c 4.33915600
_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,
0,
0
],
[
2.748459931308129,
0.9796609463366487,
4.4167118006875485
],
[
3.1680382613099316,
3.752291980213716,
3.501591484097788
],
[
4.352629668724287,
2.8693426877899038,
6.123552904292295
],
[
1.5638685238937735,
1.8626102387604606,
... | [
[
3.9443321286165984,
0,
1.8084575966173473
],
[
1.972166064001462,
4.731952926550364,
0.9042287981679905
],
[
0,
0,
5.20561689
]
] | [
70,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.554487 | 0 | 0 | 87 | 87 | [
"Au",
"Yb"
] |
mp-1186556 | mp-1186556 | PmDyTl2 | # generated using pymatgen
data_PmDyTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43346225
_cell_length_b 5.43346225
_cell_length_c 5.43346225
_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_PmDyTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68407600
_cell_length_b 7.68407600
_cell_length_c 7.68407600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.137010892669171,
2.2182016748624362,
5.433462250000001
],
[
4.705516339003756,
3.327302512293653,
8.150193374999999
],
[
1.568505446334586,
1.1091008374312192,
2.716731125000002
]
] | [
[
4.705516339003755,
0,
2.7167311249999995
],
[
1.568505446334586,
4.436403349724869,
2.716731124999999
],
[
0,
0,
5.43346225
]
] | [
61,
66,
81,
81
] | [
1,
1,
1
] | -0.362134 | 0 | 0 | 225 | 225 | [
"Dy",
"Pm",
"Tl"
] |
mp-1169 | mp-1169 | ScCu | # generated using pymatgen
data_ScCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25537900
_cell_length_b 3.25537900
_cell_length_c 3.25537900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... | # generated using pymatgen
data_ScCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25537900
_cell_length_b 3.25537900
_cell_length_c 3.25537900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... | [
[
1.6276895,
1.6276895,
1.6276895000000002
],
[
0,
0,
0
]
] | [
[
3.255379,
0,
1.9933447361807557e-16
],
[
-1.9933447361807557e-16,
3.255379,
1.9933447361807557e-16
],
[
0,
0,
3.255379
]
] | [
21,
29
] | [
1,
1,
1
] | -0.280795 | 0 | 0 | 221 | 221 | [
"Sc",
"Cu"
] |
mp-1077240 | mp-1077240 | NaFeAs | # generated using pymatgen
data_NaFeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50001057
_cell_length_b 7.50001057
_cell_length_c 3.97291800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.27181569
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaFeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84791200
_cell_length_b 14.49807599
_cell_length_c 3.97291800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.3224056286085533,
2.9796884999999995,
1.2147526517217402
],
[
3.3967438339301226,
0.9932294999999999,
5.298164192934731
],
[
2.7862454496544,
2.9796884999999995,
2.9979421578188723
],
[
0.9329040128842765,
0.9932294999999999,
3.5149746868376
],
[
... | [
[
3.719149462538675,
0,
-0.9870937253435279
],
[
6.388939421108003e-16,
3.972918,
2.432710655987452e-16
],
[
0,
0,
7.50001057
]
] | [
11,
11,
26,
26,
33,
33
] | [
1,
1,
1
] | -0.226183 | 0 | 0.052498 | 63 | 63 | [
"As",
"Fe",
"Na"
] |
mp-1173952 | mp-1173952 | Li3Mn2O5 | # generated using pymatgen
data_Li3Mn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20630921
_cell_length_b 7.62885930
_cell_length_c 5.23841484
_cell_angle_alpha 69.92057665
_cell_angle_beta 67.70925954
_cell_angle_gamma 82.51593953
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3Mn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23841484
_cell_length_b 14.33031800
_cell_length_c 5.20630921
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.29074046
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.171967008818301,
4.1323306441903265,
3.483442323405138
],
[
5.869047864841588,
1.8365602775353331,
2.923355223299375
],
[
2.7529599140851904,
0.4468361095750225,
6.657836117994097
],
[
3.82327009222838,
3.226495652567648,
6.139030303029438
],
[
... | [
[
5.161957364895549,
0,
0.6781237004643215
],
[
1.767774156828882,
4.59145808706442,
1.7984652348908206
],
[
0,
0,
7.628859300000001
]
] | [
3,
3,
3,
3,
3,
3,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.149229 | 1.4069 | 0.022786 | 12 | 12 | [
"Li",
"Mn",
"O"
] |
mp-862903 | mp-862903 | PmGaAg2 | # generated using pymatgen
data_PmGaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93252800
_cell_length_b 4.93252800
_cell_length_c 4.93252800
_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_PmGaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97564799
_cell_length_b 6.97564799
_cell_length_c 6.97564799
_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
],
[
2.847796368585366,
2.0136961236651367,
4.932528
],
[
4.271694552878049,
3.0205441854977053,
7.398792
],
[
1.423898184292683,
1.006848061832568,
2.4662640000000002
]
] | [
[
4.271694552878049,
0,
2.4662640000000002
],
[
1.423898184292683,
4.0273922473302735,
2.466264
],
[
0,
0,
4.932528
]
] | [
61,
31,
47,
47
] | [
1,
1,
1
] | -0.305596 | 0 | 0.020438 | 225 | 225 | [
"Pm",
"Ga",
"Ag"
] |
mp-1114581 | mp-1114581 | Rb2LiTlBr6 | # generated using pymatgen
data_Rb2LiTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83615452
_cell_length_b 7.83615452
_cell_length_c 7.83615452
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2LiTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.08199600
_cell_length_b 11.08199600
_cell_length_c 11.08199600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.262102960766751,
1.5995483433003366,
3.918077260000001
],
[
6.786308882300253,
4.79864502990101,
11.754231779999998
],
[
4.524205921533502,
3.199096686600673,
7.836154519999998
],
[
0,
0,
0
],
[
3.4001126698574433,
4.7888046084930265,
5... | [
[
6.786308882300254,
0,
3.918077259999999
],
[
2.2621029607667498,
6.398193373201346,
3.9180772599999987
],
[
0,
0,
7.836154519999999
]
] | [
37,
37,
3,
81,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.526823 | 0.7791 | 0 | 225 | 225 | [
"Br",
"Li",
"Rb",
"Tl"
] |
mvc-16352 | mvc-16352 | Zn2MoWO6 | # generated using pymatgen
data_Zn2MoWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69012607
_cell_length_b 5.69012607
_cell_length_c 5.69012565
_cell_angle_alpha 56.11099794
_cell_angle_beta 56.11099794
_cell_angle_gamma 56.11100586
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zn2MoWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35243555
_cell_length_b 5.35243555
_cell_length_c 14.33360051
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.7060505903805858,
1.173057200317304,
2.488995071089052
],
[
4.97142238889492,
3.4182824718057674,
7.7422993891675835
],
[
3.1971610771673236,
2.1983245064899886,
5.381290807544109
],
[
6.411031664312921,
4.408138244954873,
5.04110324691464
],
[
... | [
[
4.723483635863518,
0,
2.517392280455183
],
[
1.690915588041953,
4.4104537331647835,
2.517392280455183
],
[
0,
0,
5.69012565
]
] | [
30,
30,
42,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.887011 | 0 | 0.04673 | 146 | 146 | [
"Mo",
"O",
"W",
"Zn"
] |
mp-676117 | mp-676117 | Li2CuGe | # generated using pymatgen
data_Li2CuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21642500
_cell_length_b 4.28366600
_cell_length_c 5.82342800
_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_Li2CuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21642500
_cell_length_b 4.28366600
_cell_length_c 5.82342800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1082125,
3.3524912522520003,
1.0919102202840003
],
[
-5.701800871382162e-17,
0.931174747748,
4.003624220284
],
[
2.1082125,
1.2236934478900001,
5.460016975659999
],
[
-1.8736927957101348e-16,
3.0599725521100005,
2.54830297566
],
[
2.1082125,
... | [
[
4.216425,
0,
2.5818156900474394e-16
],
[
-2.622988927758173e-16,
4.283666,
2.622988927758173e-16
],
[
0,
0,
5.823428
]
] | [
3,
3,
3,
3,
29,
29,
32,
32
] | [
1,
1,
1
] | -0.311393 | 0 | 0.008358 | 31 | 31 | [
"Li",
"Cu",
"Ge"
] |
mp-1105869 | mp-1105869 | Tm5Pt3 | # generated using pymatgen
data_Tm5Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36121783
_cell_length_b 8.36121783
_cell_length_c 6.07417400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999867
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tm5Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36121783
_cell_length_b 8.36121783
_cell_length_c 6.07417400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
9.240923291042602e-16,
2.4136757147997887,
4.180608858971639
],
[
6.074174000000002,
4.827351429599577,
-1.1205672259437937e-7
],
[
3.037087000000002,
4.827351429599577,
-1.1205672259437937e-7
],
[
3.037087000000001,
2.4136757147997887,
4.180608858971639... | [
[
6.074174,
0,
3.719358873282038e-16
],
[
2.7722769873127803e-15,
7.241027144399365,
-4.180609083085082
],
[
0,
0,
8.36121783
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.05325 | 0 | 0.021705 | 193 | 193 | [
"Pt",
"Tm"
] |
mp-979269 | mp-979269 | Tl3Cd | # generated using pymatgen
data_Tl3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90328900
_cell_length_b 4.90328900
_cell_length_c 4.90328900
_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_Tl3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90328900
_cell_length_b 4.90328900
_cell_length_c 4.90328900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
-1.5011992947861067e-16,
2.4516445,
2.4516445
],
[
2.4516445,
0,
2.4516445
],
[
2.4516445,
2.4516445,
3.0023985895722133e-16
],
[
0,
0,
0
]
] | [
[
4.903289,
0,
3.0023985895722133e-16
],
[
-3.0023985895722133e-16,
4.903289,
3.0023985895722133e-16
],
[
0,
0,
4.903289
]
] | [
81,
81,
81,
48
] | [
1,
1,
1
] | 0.036671 | 0 | 0.036671 | 221 | 221 | [
"Tl",
"Cd"
] |
mp-20390 | mp-20390 | PrSnPt | # generated using pymatgen
data_PrSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67590102
_cell_length_b 7.67590102
_cell_length_c 4.17851900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999157
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67590102
_cell_length_b 7.67590102
_cell_length_c 4.17851900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.1785190000000005,
2.729979323895468,
-1.5761545653100284
],
[
1.4998595987050897e-15,
3.9175465210418245,
2.2617957699617266
],
[
4.178519000000002,
6.6475258449372925,
-0.6856431607692614
],
[
2.0892595000000025,
6.647525844937292,
1.9007209843156594
... | [
[
4.178519,
0,
2.5586049592631996e-16
],
[
2.545050937523484e-15,
6.6475258449372925,
-3.837951488058782
],
[
0,
0,
7.675901020000001
]
] | [
59,
59,
59,
50,
50,
50,
78,
78,
78
] | [
1,
1,
1
] | -1.030007 | 0 | 0 | 189 | 189 | [
"Pr",
"Pt",
"Sn"
] |
mp-1205897 | mp-1205897 | Zr6FeBi2 | # generated using pymatgen
data_Zr6FeBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65484800
_cell_length_b 7.98076455
_cell_length_c 7.98076455
_cell_angle_alpha 120.00000455
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Zr6FeBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98076428
_cell_length_b 7.98076428
_cell_length_c 3.65484800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.8274239999999997,
5.283848143212003,
4.9301336818951
],
[
1.827424,
1.627696381824103,
0.9397511165510112
],
[
1.827424,
1.8156989868589093e-17,
6.101262575416801
],
[
3.654848,
2.70008471878418,
6.421870053722107
],
[
-2.5787753857320765e-16,
... | [
[
3.654848,
0,
2.237948952285053e-16
],
[
-4.232100439874941e-16,
6.911544525036107,
-3.990381726137088
],
[
0,
0,
7.98076455
]
] | [
40,
40,
40,
40,
40,
40,
26,
83,
83
] | [
1,
1,
1
] | -0.312253 | 0 | 0 | 189 | 189 | [
"Bi",
"Fe",
"Zr"
] |
mp-1215612 | mp-1215612 | YbAl7Fe5 | # generated using pymatgen
data_YbAl7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01762700
_cell_length_b 6.58505686
_cell_length_c 6.58505686
_cell_angle_alpha 98.25042122
_cell_angle_beta 112.39475728
_cell_angle_gamma 67.60524272
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_YbAl7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01762700
_cell_length_b 8.60200800
_cell_length_c 8.61863000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3035746857292008,
6.058037473456224,
0.9947138950884233
],
[
5.418527614594706,
2.049503731075332,
6.605424980416014
],
[
6.176366764625715,
4.042500961936448,
4.7662916212467135
],
[
3.866919444825308,
2.1242206549659532,
3.785835193618334
],
[
... | [
[
4.639201812484877,
0,
1.9116451695244177
],
[
2.315122516843215,
6.088406444802902,
0.9666894766785706
],
[
0,
0,
6.585057241284204
]
] | [
70,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.338335 | 0 | 0.008055 | 44 | 44 | [
"Al",
"Fe",
"Yb"
] |
mp-863744 | mp-863744 | Ca2PdAu | # generated using pymatgen
data_Ca2PdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08988048
_cell_length_b 5.08988048
_cell_length_c 5.08988048
_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_Ca2PdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19817801
_cell_length_b 7.19817801
_cell_length_c 7.19817801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4693219326355105,
1.0389675023126927,
2.5449402399999985
],
[
4.407965797906532,
3.1169025069380796,
7.6348207200000004
],
[
0,
0,
0
],
[
2.9386438652710214,
2.077935004625387,
5.08988048
]
] | [
[
4.407965797906532,
0,
2.5449402400000003
],
[
1.4693219326355107,
4.155870009250773,
2.5449402400000003
],
[
0,
0,
5.08988048
]
] | [
20,
20,
46,
79
] | [
1,
1,
1
] | -0.744135 | 0 | 0 | 225 | 225 | [
"Ca",
"Pd",
"Au"
] |
mp-1221231 | mp-1221231 | Na3PrTi2Nb2O12 | # generated using pymatgen
data_Na3PrTi2Nb2O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53177000
_cell_length_b 5.58874703
_cell_length_c 7.87165176
_cell_angle_alpha 89.91439910
_cell_angle_beta 89.97146730
_cell_angle_gamma 89.96516374
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Na3PrTi2Nb2O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53177000
_cell_length_b 5.58874703
_cell_length_c 7.87165176
_cell_angle_alpha 89.91439910
_cell_angle_beta 89.97146730
_cell_angle_gamma 89.96516374
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
2.743735021392856,
2.8687280636530152,
5.9047538351309266
],
[
0.01929572924880479,
0.07438612623532137,
5.902466258496856
],
[
2.7953608618647348,
2.6738710631029994,
1.9752747906195738
],
[
5.514744331938623,
5.368364575928638,
1.978772500019656
],
... | [
[
5.531769314078232,
0,
0.0027547635916046267
],
[
0.0033938419092819326,
5.58873976223301,
0.008349683026107207
],
[
0,
0,
7.87165176
]
] | [
11,
11,
11,
59,
22,
22,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.118385 | 2.2837 | 0.011395 | 1 | 1 | [
"Na",
"Nb",
"O",
"Pr",
"Ti"
] |
mp-1182245 | mp-1182245 | BaNdCo2O5 | # generated using pymatgen
data_BaNdCo2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93980600
_cell_length_b 3.91493600
_cell_length_c 7.89822800
_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_BaNdCo2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92737100
_cell_length_b 3.92737100
_cell_length_c 7.89822800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9574679999999998,
1.969903,
3.9230261529160004
],
[
1.9574679999999998,
1.969903,
7.894373664735999
],
[
0,
0,
1.898568148412
],
[
0,
0,
5.997306179643999
],
[
1.9574679999999998,
3.939806,
1.5204404829120004
],
[
-1.20621770179... | [
[
3.914936,
0,
2.3972069206333714e-16
],
[
-2.4124354035807684e-16,
3.939806,
2.4124354035807684e-16
],
[
0,
0,
7.898228
]
] | [
56,
60,
27,
27,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.30728 | 0 | 0.078382 | 99 | 99 | [
"Ba",
"Co",
"Nd",
"O"
] |
mp-15624 | mp-15624 | Sr2Sb | # generated using pymatgen
data_Sr2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61816614
_cell_length_b 9.61816614
_cell_length_c 9.61816614
_cell_angle_alpha 149.45402149
_cell_angle_beta 149.45402149
_cell_angle_gamma 43.74343504
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06720200
_cell_length_b 5.06720200
_cell_length_c 17.85170601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.705996088525216,
2.4373148465819368,
7.615975513288278
],
[
2.079636555089344,
4.8746296931638735,
7.615975513327095
],
[
1.4568029485025138,
1.569796498608335,
5.335055087755877
],
[
3.066952147240526,
3.3048331945555396,
1.6135235499877034
],
[
... | [
[
4.888237081307392,
0,
-1.3347937511670263
],
[
-0.3644819855643522,
4.8746296931638735,
-1.3347937510893935
],
[
0,
0,
9.618166140000001
]
] | [
38,
38,
38,
38,
51,
51
] | [
1,
1,
1
] | -0.920546 | 0 | 0.029566 | 139 | 139 | [
"Sr",
"Sb"
] |
mp-608072 | mp-608072 | SrIn | # generated using pymatgen
data_SrIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66984620
_cell_length_b 6.67585992
_cell_length_c 13.86421836
_cell_angle_alpha 101.34789048
_cell_angle_beta 101.33874479
_cell_angle_gamma 100.78099912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50857946
_cell_length_b 26.37596476
_cell_length_c 6.66984620
_cell_angle_alpha 90.00000000
_cell_angle_beta 129.57830226
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.672831021195607,
1.4013678482941045,
7.384710008142692
],
[
5.812549727560018,
1.5561805851906054,
0.6007868018166583
],
[
3.3641725313877573,
1.8088287584151528,
3.843864526224976
],
[
-1.0056957994291726,
5.351683673940505,
3.621109815812292
],
[... | [
[
6.542335338501393,
0,
-1.2979586473575715
],
[
-1.5313093129112014,
6.366178834464219,
-1.3015239172883648
],
[
0,
0,
13.850168586050971
]
] | [
38,
38,
38,
38,
38,
38,
38,
38,
49,
49,
49,
49,
49,
49,
49,
49
] | [
1,
1,
1
] | -0.425283 | 0 | 0 | 9 | 9 | [
"In",
"Sr"
] |
mp-1275201 | mp-1275201 | Mn2CuO4 | # generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07912438
_cell_length_b 6.09935643
_cell_length_c 6.08434280
_cell_angle_alpha 121.93321888
_cell_angle_beta 122.13513524
_cell_angle_gamma 86.71657898
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.61056606
_cell_length_b 5.91299828
_cell_length_c 5.88441794
_cell_angle_alpha 90.00000000
_cell_angle_beta 123.43543718
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7821420384668225,
2.458087482831166,
3.2218612479356126
],
[
2.581808127883597,
0.0006587964324421659,
1.6229571378522851
],
[
4.363733026130743,
2.4581120647876,
1.811543091555461
],
[
1.7824113581532046,
2.457704004310789,
0.18882094442575434
],
... | [
[
5.163786638499564,
0,
-2.821645282230712
],
[
-1.5991494936392832,
4.916391286878954,
-2.8697327821944008
],
[
0,
0,
6.06779013608978
]
] | [
25,
25,
25,
25,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.678537 | 0 | 0.029347 | 12 | 12 | [
"Cu",
"Mn",
"O"
] |
mp-1080590 | mp-1080590 | DyAu3 | # generated using pymatgen
data_DyAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06761500
_cell_length_b 5.17274000
_cell_length_c 6.17911500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | # generated using pymatgen
data_DyAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06761500
_cell_length_b 5.17274000
_cell_length_c 6.17911500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | [
[
2.5338075,
3.38826367302,
3.0895575000000006
],
[
-1.0926766109951413e-16,
1.78447632698,
1.0926766109951413e-16
],
[
2.5338075,
0.81720498342,
4.665806482695
],
[
2.5338075,
0.81720498342,
1.5133085173050003
],
[
-2.666996008314456e-16,
4.35... | [
[
5.067615,
0,
3.103019244530557e-16
],
[
-3.16738974191074e-16,
5.17274,
3.16738974191074e-16
],
[
0,
0,
6.179115
]
] | [
66,
66,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.71901 | 0 | 0 | 59 | 59 | [
"Au",
"Dy"
] |
mp-1227423 | mp-1227423 | Be8NbCr3 | # generated using pymatgen
data_Be8NbCr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32111786
_cell_length_b 4.32111786
_cell_length_c 7.08279508
_cell_angle_alpha 90.01461908
_cell_angle_beta 89.98538092
_cell_angle_gamma 120.01931912
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Be8NbCr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32111786
_cell_length_b 4.32111786
_cell_length_c 7.08279508
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-4.796068318854128e-16,
0.00011976197999965314,
3.573411809042813
],
[
2.1599279979496626,
3.7424570832529187,
7.07380460401509
],
[
3.21752162264973,
0.6362467464331459,
1.7019281118475096
],
[
2.1599279979496626,
2.4689156730616304,
1.7004777404843463
... | [
[
4.319855995899326,
0,
1.2237156088502742e-15
],
[
-2.159927997949663,
3.7425618749854177,
0.0011025378751491697
],
[
0,
0,
7.08279508
]
] | [
4,
4,
4,
4,
4,
4,
4,
4,
41,
24,
24,
24
] | [
1,
1,
1
] | -0.193298 | 0 | 0.024979 | 156 | 156 | [
"Be",
"Cr",
"Nb"
] |
mp-9397 | mp-9397 | HfTlCuSe3 | # generated using pymatgen
data_HfTlCuSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69899772
_cell_length_b 7.69899772
_cell_length_c 10.14654400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.01757295
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_HfTlCuSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85306400
_cell_length_b 14.90812401
_cell_length_c 10.14654400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
5.073272
],
[
0,
0,
0
],
[
2.410543050688398e-16,
3.6991826257808675,
7.609908000000001
],
[
1.9265320008444289,
3.7548793770661417,
2.536636000000001
],
[
3.0202570836119105e-17,
6.9248832331408945,
2.536636000000001
],
[
1... | [
[
3.853064001688857,
0,
1.09148419883477e-15
],
[
-1.9265320008444284,
7.454062002847009,
4.7142764572203855e-16
],
[
0,
0,
10.146544
]
] | [
72,
72,
81,
81,
29,
29,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.082663 | 0.4547 | 0 | 63 | 63 | [
"Cu",
"Hf",
"Se",
"Tl"
] |
mp-977122 | mp-977122 | Li5Mg | # generated using pymatgen
data_Li5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01159120
_cell_length_b 8.01159120
_cell_length_c 4.97807500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.51865055
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12341000
_cell_length_b 15.71581001
_cell_length_c 4.97807500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.0025518902427166847,
2.4890374999999993,
0.012840140166415501
],
[
2.043285957018537,
2.4890374999999993,
2.2694458324793345
],
[
1.021932478662854,
2.4890374999999993,
5.1419751707963615
],
[
1.7003125210962515,
4.978075,
0.5437340769799508
],
[
... | [
[
3.0634936887346327,
0,
-0.6088484667287353
],
[
8.005355159289021e-16,
4.978075,
3.0481918073327297e-16
],
[
0,
0,
8.0115912
]
] | [
3,
3,
3,
3,
3,
12
] | [
1,
1,
1
] | -0.010233 | 0 | 0.012334 | 38 | 38 | [
"Li",
"Mg"
] |
mp-1111984 | mp-1111984 | K2EuCuCl6 | # generated using pymatgen
data_K2EuCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37227500
_cell_length_b 7.37227574
_cell_length_c 7.37227595
_cell_angle_alpha 59.99999756
_cell_angle_beta 59.99999976
_cell_angle_gamma 59.99999884
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K2EuCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.42597199
_cell_length_b 10.42597199
_cell_length_c 10.42597199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
6.384577448281961,
4.514578501876977,
11.058413509745854
],
[
2.1281924827606513,
1.50485950062566,
3.6861378365819495
],
[
0,
0,
0
],
[
4.256384965521306,
3.0097190012513186,
7.372275673163902
],
[
3.2445441992149306,
4.440677861520251,
... | [
[
6.38457779142872,
0,
3.6861383603695224
],
[
2.1281921396138945,
6.019438002502635,
3.6861377452192636
],
[
0,
0,
7.372275240739019
]
] | [
19,
19,
63,
29,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.011156 | 0 | 0.012619 | 225 | 225 | [
"Cl",
"Cu",
"Eu",
"K"
] |
mp-29008 | mp-29008 | Li6MgBr8 | # generated using pymatgen
data_Li6MgBr8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82370944
_cell_length_b 7.82370944
_cell_length_c 7.82370944
_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_Li6MgBr8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.06439600
_cell_length_b 11.06439600
_cell_length_c 11.06439600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.3877655634340624,
2.611499464078801e-17,
1.9559273599999996
],
[
3.3877655634340624,
2.611499464078801e-17,
5.86778208
],
[
1.1292551878113541,
3.194016003965987,
1.9559273600000004
],
[
7.904786314679479,
3.194016003965987,
9.779636799999999
],
[
... | [
[
6.775531126868126,
0,
3.9118547199999996
],
[
2.2585103756227083,
6.388032007931974,
3.911854720000001
],
[
0,
0,
7.82370944
]
] | [
3,
3,
3,
3,
3,
3,
12,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.821587 | 4.8595 | 0.019888 | 225 | 225 | [
"Br",
"Li",
"Mg"
] |
mp-1079316 | mp-1079316 | Dy(GePt)2 | # generated using pymatgen
data_Dy(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17877300
_cell_length_b 4.17877300
_cell_length_c 10.69957000
_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_Dy(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17877300
_cell_length_b 4.17877300
_cell_length_c 10.69957000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.0893865,
0,
2.59292309423
],
[
-1.2793802447033456e-16,
2.0893865,
8.10664690577
],
[
2.0893865,
0,
9.22339312538
],
[
-1.2793802447033456e-16,
2.0893865,
1.4761768746200001
],
[
0,
0,
5.349785
],
[
2.0893865,
2.0893865,
... | [
[
4.178773,
0,
2.558760489406691e-16
],
[
-2.558760489406691e-16,
4.178773,
2.558760489406691e-16
],
[
0,
0,
10.69957
]
] | [
66,
66,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.861231 | 0 | 0.005129 | 129 | 129 | [
"Dy",
"Ge",
"Pt"
] |
mp-1071955 | mp-1071955 | AlPS4 | # generated using pymatgen
data_AlPS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60998586
_cell_length_b 6.60998586
_cell_length_c 6.60998586
_cell_angle_alpha 128.88390791
_cell_angle_beta 123.67801816
_cell_angle_gamma 79.49801102
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlPS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70343000
_cell_length_b 6.23917400
_cell_length_c 10.16421400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.572670902776247,
4.824641410734051e-17,
5.379683917438474
],
[
0,
0,
0
],
[
3.2724505601942835,
4.930872321366948,
-3.4273990243774137
],
[
1.3086276848872844,
1.58714360430177,
-0.21313020688614975
],
[
3.314059673078264,
0.386441067876668... | [
[
5.145341805552494,
0,
-2.4606038851230507
],
[
-1.408157213257141,
5.317313389243617,
-2.9445821105506367
],
[
0,
0,
6.609985859999999
]
] | [
13,
15,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.924303 | 2.7826 | 0 | 23 | 23 | [
"Al",
"P",
"S"
] |
mp-755252 | mp-755252 | DyHO2 | # generated using pymatgen
data_DyHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52983990
_cell_length_b 3.52983990
_cell_length_c 9.22438400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999819
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52983990
_cell_length_b 3.52983990
_cell_length_c 9.22438400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
4.612192
],
[
1.7649199982849275,
1.0189769989382023,
6.918288000000001
],
[
5.355034935272728e-16,
2.037953997876405,
2.3060960000000006
],
[
1.7649199982849275,
1.0189769989382023,
8.144263979904
],
[
1.764919... | [
[
3.529839996569854,
0,
9.99922290152006e-16
],
[
-1.7649199982849262,
3.056930996814607,
2.1614035675188066e-16
],
[
0,
0,
9.224384
]
] | [
66,
66,
1,
1,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.91334 | 4.1726 | 0.073322 | 194 | 194 | [
"Dy",
"H",
"O"
] |
mp-1185107 | mp-1185107 | KRb3 | # generated using pymatgen
data_KRb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89309924
_cell_length_b 7.89309924
_cell_length_c 7.89309924
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KR... | # generated using pymatgen
data_KRb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.16252799
_cell_length_b 11.16252799
_cell_length_c 11.16252799
_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
],
[
6.8356244564316455,
4.8335164067874254,
11.83964886
],
[
2.2785414854772155,
1.611172135595809,
3.946549620000001
],
[
4.55708297095443,
3.2223442711916177,
7.89309924
]
] | [
[
6.835624456431646,
0,
3.9465496199999994
],
[
2.2785414854772137,
6.444688542383234,
3.9465496200000008
],
[
0,
0,
7.89309924
]
] | [
19,
37,
37,
37
] | [
1,
1,
1
] | 0.017861 | 0 | 0.017861 | 225 | 225 | [
"K",
"Rb"
] |
mp-1029633 | mp-1029633 | CaSnN2 | # generated using pymatgen
data_CaSnN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69174700
_cell_length_b 6.19344600
_cell_length_c 7.70403400
_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_CaSnN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69174700
_cell_length_b 6.19344600
_cell_length_c 7.70403400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.578464159459,
3.6223297947899997,
6.757408526284
],
[
2.732590659459,
2.5711162052099996,
0.9466254737160003
],
[
2.7325906594589995,
5.66783920521,
2.9053915262840007
],
[
5.578464159459,
0.5256067947899999,
4.798642473716001
],
[
5.6610969424... | [
[
5.691747,
0,
3.485189872553275e-16
],
[
-3.792391909795989e-16,
6.193446,
3.792391909795989e-16
],
[
0,
0,
7.704034
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.61347 | 1.3772 | 0 | 33 | 33 | [
"Ca",
"Sn",
"N"
] |
mp-10955 | mp-10955 | Sn(HgSe2)2 | # generated using pymatgen
data_Sn(HgSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32020626
_cell_length_b 7.32020626
_cell_length_c 7.32020626
_cell_angle_alpha 132.15650533
_cell_angle_beta 132.15650533
_cell_angle_gamma 69.98195578
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sn(HgSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93652000
_cell_length_b 5.93652000
_cell_length_c 11.99404600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.5557832606504003,
3.9903577371605587,
1.2529121000989467
],
[
2.179380040407495,
2.6602384914403725,
-2.407191029983297
],
[
3.8029768201645893,
1.330119245720186,
1.2529120999344583
],
[
-0.09637747807168644,
3.5919497797284827,
3.729643345978717
],... | [
[
5.426573599921684,
0,
-2.4071910301477857
],
[
-1.0678135191066944,
5.320476982880745,
-2.4071910298188084
],
[
0,
0,
7.32020626
]
] | [
50,
80,
80,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.533648 | 0.4817 | 0 | 82 | 82 | [
"Sn",
"Hg",
"Se"
] |
mp-352 | mp-352 | HfO2 | # generated using pymatgen
data_HfO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19514800
_cell_length_b 5.14231900
_cell_length_c 5.32603846
_cell_angle_alpha 80.32547070
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... | # generated using pymatgen
data_HfO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14231900
_cell_length_b 5.19514800
_cell_length_c 5.32603846
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.67452930
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... | [
[
3.670298749866253,
2.8193081117879997,
0.9300872817871179
],
[
1.3988875943687464,
0.22173411178799995,
0.8687592194240124
],
[
1.3988875943687462,
2.3758398882119995,
3.5317784494240128
],
[
3.6702987498662525,
4.973413888212,
3.5931065117871177
],
... | [
[
5.069186344234999,
0,
-0.8641727287888706
],
[
-3.181110684648387e-16,
5.195148,
3.181110684648387e-16
],
[
0,
0,
5.32603846
]
] | [
72,
72,
72,
72,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -4.019811 | 4.0684 | 0 | 14 | 14 | [
"Hf",
"O"
] |
mp-20264 | mp-20264 | Tb(FeGe)2 | # generated using pymatgen
data_Tb(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03775159
_cell_length_b 6.03775159
_cell_length_c 6.03775159
_cell_angle_alpha 141.78124802
_cell_angle_beta 141.78124802
_cell_angle_gamma 55.15844931
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Tb(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95318800
_cell_length_b 3.95318800
_cell_length_c 10.70338200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.6894162158169648,
0.9270849972794475,
1.7247106456173862
],
[
0.5975507053188005,
2.7812549918383422,
1.7247106459932344
],
[
2.031809019597783,
2.2922769892132595,
-0.17334105778832873
],
[
1.255157901537982,
1.416062999904529... | [
[
3.735348971066046,
0,
-1.2941651495705377
],
[
-0.44838204993028125,
3.708339989117789,
-1.2941651488188415
],
[
0,
0,
6.03775159
]
] | [
65,
26,
26,
32,
32
] | [
1,
1,
1
] | -0.452708 | 0 | 0 | 139 | 139 | [
"Fe",
"Ge",
"Tb"
] |
mp-9368 | mp-9368 | RbTmS2 | # generated using pymatgen
data_RbTmS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01420430
_cell_length_b 8.01420430
_cell_length_c 8.01420444
_cell_angle_alpha 29.10209955
_cell_angle_beta 29.10209955
_cell_angle_gamma 29.10210232
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbTmS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02701783
_cell_length_b 4.02701783
_cell_length_c 23.00862067
_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
],
[
2.857730481358656,
1.7240576189214372,
5.018860381193302
],
[
4.401545072920155,
2.655434922045652,
7.085442492973953
],
[
1.3139158897971577,
0.7926803157972229,
2.952278269412651
]
] | [
[
3.897847697712766,
0,
1.0117581611933018
],
[
1.8176132650045467,
3.4481152378428743,
1.0117581611933018
],
[
0,
0,
8.01420444
]
] | [
37,
69,
16,
16
] | [
1,
1,
1
] | -2.094621 | 2.4001 | 0 | 166 | 166 | [
"Rb",
"S",
"Tm"
] |
mp-22066 | mp-22066 | Dy(CuGe)2 | # generated using pymatgen
data_Dy(CuGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90756653
_cell_length_b 5.90756653
_cell_length_c 5.90756653
_cell_angle_alpha 139.91493706
_cell_angle_beta 139.91493706
_cell_angle_gamma 57.98247730
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy(CuGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04925400
_cell_length_b 4.04925400
_cell_length_c 10.33462400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.726452044101702,
0.9425464222708255,
1.5660326671652027
],
[
0.571306121192902,
2.8276392668124766,
1.5660326673130667
],
[
2.041437619127641,
2.333888208598749,
-0.3116908998771022
],
[
1.256320546166963,
1.436297480484553,
... | [
[
3.8040250055561025,
0,
-1.3877505979087297
],
[
-0.506266840261498,
3.770185689083302,
-1.387750597613003
],
[
0,
0,
5.907566530000001
]
] | [
66,
29,
29,
32,
32
] | [
1,
1,
1
] | -0.499035 | 0 | 0 | 139 | 139 | [
"Cu",
"Dy",
"Ge"
] |
mp-1228197 | mp-1228197 | Ba3In2WO9 | # generated using pymatgen
data_Ba3In2WO9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97395320
_cell_length_b 5.97395320
_cell_length_c 7.33228000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999113
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba3In2WO9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97395320
_cell_length_b 5.97395320
_cell_length_c 7.33228000
_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,
3.66614
],
[
2.256971535606665e-15,
3.449063334007566,
1.3824867294400012
],
[
2.9869770004639533,
1.7245316670037831,
5.949793270560002
],
[
2.256971535606665e-15,
3.449063334007566,
4.889457595200001
],
[
2.9869770004639533,
1.7245316... | [
[
5.973954000927907,
0,
1.6922834382508415e-15
],
[
-2.9869770004639515,
5.173595001011349,
3.6579913323180443e-16
],
[
0,
0,
7.33228
]
] | [
56,
56,
56,
49,
49,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.601754 | 2.7113 | 0.008464 | 164 | 164 | [
"Ba",
"In",
"O",
"W"
] |
mp-30758 | mp-30758 | Li2MgPb | # generated using pymatgen
data_Li2MgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83021814
_cell_length_b 4.83021814
_cell_length_c 4.83021814
_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_Li2MgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83096000
_cell_length_b 6.83096000
_cell_length_c 6.83096000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3943638716868083,
0.9859641491112693,
2.4151090700000015
],
[
4.183091615060421,
2.95789244733381,
7.245327210000001
],
[
0,
0,
0
],
[
2.7887277433736153,
1.9719282982225395,
4.830218140000001
]
] | [
[
4.1830916150604205,
0,
2.4151090700000006
],
[
1.394363871686807,
3.9438565964450807,
2.4151090700000006
],
[
0,
0,
4.83021814
]
] | [
3,
3,
12,
82
] | [
1,
1,
1
] | -0.255921 | 0 | 0.007724 | 225 | 225 | [
"Li",
"Mg",
"Pb"
] |
mp-23556 | mp-23556 | Rb3Mn2Cl7 | # generated using pymatgen
data_Rb3Mn2Cl7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.70841658
_cell_length_b 13.70841658
_cell_length_c 13.70841658
_cell_angle_alpha 158.55993273
_cell_angle_beta 158.55993273
_cell_angle_gamma 30.50319517
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Rb3Mn2Cl7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09981000
_cell_length_b 5.09981000
_cell_length_c 26.45121200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.8845240370264447,
0.9168142447201912,
4.672255972263739
],
[
3.9466966365756777,
4.090773732012974,
7.138927481948454
],
[
0,
0,
0
],
[
1.94029552204939,
2.0111274528636662,
10.249079687340164
],
[
2.8909251515527323,
2.996460523869499,
... | [
[
5.010807186599722,
0,
-0.9486165626550671
],
[
-0.17958651299759945,
5.007587976733164,
-0.9486165631327407
],
[
0,
0,
13.70841658
]
] | [
37,
37,
37,
25,
25,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.898134 | 0 | 0.001617 | 139 | 139 | [
"Cl",
"Mn",
"Rb"
] |
mp-978083 | mp-978083 | Pr2ZnAg | # generated using pymatgen
data_Pr2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31872710
_cell_length_b 5.31872710
_cell_length_c 5.31872710
_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_Pr2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52181600
_cell_length_b 7.52181600
_cell_length_c 7.52181600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.606152784396737,
3.257041869028231,
7.978090650000002
],
[
1.535384261465579,
1.08568062300941,
2.6593635500000006
],
[
0,
0,
0
],
[
3.070768522931158,
2.171361246018821,
5.318727100000001
]
] | [
[
4.606152784396737,
0,
2.659363550000001
],
[
1.535384261465579,
4.34272249203764,
2.6593635500000006
],
[
0,
0,
5.3187271
]
] | [
59,
59,
30,
47
] | [
1,
1,
1
] | -0.269962 | 0 | 0.005291 | 225 | 225 | [
"Pr",
"Zn",
"Ag"
] |
mp-1227359 | mp-1227359 | Be4AlCr | # generated using pymatgen
data_Be4AlCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33169860
_cell_length_b 4.33088700
_cell_length_c 7.00148901
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00506982
_cell_angle_gamma 60.00619012
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Be4AlCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33129255
_cell_length_b 4.33129255
_cell_length_c 7.00148901
_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,
3.500744505
],
[
0,
0,
0
],
[
3.236062670180029,
0.632170015570629,
1.6908370177044536
],
[
2.1654438300852763,
2.487082377126131,
1.6905494853503684
],
[
1.0948244976230286,
0.6321700155706282,
1.6908370177044534
],
[
-1.07... | [
[
4.330887,
0,
2.6519034510094413e-16
],
[
-2.165443002088761,
3.7515949816365444,
-0.00038329057313206893
],
[
0,
0,
7.00148901
]
] | [
4,
4,
4,
4,
4,
4,
4,
4,
13,
13,
24,
24
] | [
1,
1,
1
] | -0.119684 | 0 | 0 | 164 | 164 | [
"Al",
"Be",
"Cr"
] |
mp-1225119 | mp-1225119 | GaFeGe | # generated using pymatgen
data_GaFeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.09241026
_cell_length_b 8.37987475
_cell_length_c 5.03489844
_cell_angle_alpha 81.20613032
_cell_angle_beta 65.61613953
_cell_angle_gamma 33.17773015
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GaFeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07948400
_cell_length_b 8.69480601
_cell_length_c 15.97147600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.2009048480160309,
0.3608720000646174,
1.298685435865319
],
[
2.153651184330859,
3.8684602089293327,
5.541717758317214
],
[
-0.9228437845553846,
2.811127156680845,
2.121516160080498
],
[
-0.5210340885233236,
3.5328711568100806,
4.7188870318111364
],
... | [
[
4.975711921599042,
0,
-0.7697357756178365
],
[
-2.6211558892521527,
4.2293322089939505,
-0.7697357801996332
],
[
0,
0,
8.37987475
]
] | [
31,
31,
31,
31,
26,
26,
26,
26,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.115929 | 0 | 0.04425 | 70 | 70 | [
"Fe",
"Ga",
"Ge"
] |
mp-867236 | mp-867236 | Tb2IrPd | # generated using pymatgen
data_Tb2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92246305
_cell_length_b 4.92246305
_cell_length_c 4.92246305
_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_Tb2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96141401
_cell_length_b 6.96141401
_cell_length_c 6.96141401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.262978050490229,
3.014380687551049,
7.383694575000001
],
[
1.420992683496743,
1.0047935625170161,
2.461231525
],
[
2.841985366993487,
2.0095871250340323,
4.922463050000001
],
[
0,
0,
0
]
] | [
[
4.262978050490229,
0,
2.4612315250000005
],
[
1.4209926834967432,
4.019174250068066,
2.4612315250000005
],
[
0,
0,
4.92246305
]
] | [
65,
65,
77,
46
] | [
1,
1,
1
] | -0.887537 | 0 | 0 | 225 | 225 | [
"Ir",
"Pd",
"Tb"
] |
mp-569507 | mp-569507 | TbTlSe2 | # generated using pymatgen
data_TbTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15034167
_cell_length_b 8.15034167
_cell_length_c 8.15034220
_cell_angle_alpha 29.89146281
_cell_angle_beta 29.89146281
_cell_angle_gamma 29.89146247
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20401209
_cell_length_b 4.20401209
_cell_length_c 23.34162583
_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
],
[
2.9739898063409664,
1.7986423636398854,
5.159403309605656
],
[
4.370789546664741,
2.6434143198553577,
8.076997737317964
],
[
1.577190066017192,
0.953870407424413,
2.2418088818933475
]
] | [
[
4.061792577346554,
0,
1.0842322096056536
],
[
1.886187035335379,
3.5972847272797708,
1.0842322096056536
],
[
0,
0,
8.1503422
]
] | [
65,
81,
34,
34
] | [
1,
1,
1
] | -1.619395 | 1.4481 | 0 | 166 | 166 | [
"Se",
"Tb",
"Tl"
] |
mp-1028985 | mp-1028985 | Te3MoWS | # generated using pymatgen
data_Te3MoWS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45102807
_cell_length_b 3.45102807
_cell_length_c 39.39389600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000138
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Te3MoWS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45102807
_cell_length_b 3.45102807
_cell_length_c 39.39389600
_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,
26.442443599871996
],
[
0,
0,
11.627502343359998
],
[
1.7255139990080333,
0.9962259995243845,
22.744656764039995
],
[
1.7255139990080333,
0.9962259995243845,
19.041079025495993
],
[
0,
0,
30.146888004127998
],
[
0,
0,
... | [
[
3.451027998016066,
0,
9.775966679816128e-16
],
[
-1.725513999008033,
2.9886779985731535,
2.113145239846584e-16
],
[
0,
0,
39.393896
]
] | [
52,
52,
52,
52,
52,
52,
42,
42,
74,
74,
16,
16
] | [
1,
1,
1
] | -0.593661 | 0.5754 | 0.069988 | 156 | 156 | [
"Mo",
"S",
"Te",
"W"
] |
mp-23074 | mp-23074 | BiOF | # generated using pymatgen
data_BiOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79749100
_cell_length_b 3.79749100
_cell_length_c 6.21707900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi... | # generated using pymatgen
data_BiOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79749100
_cell_length_b 3.79749100
_cell_length_c 6.21707900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi... | [
[
-1.1626462994852204e-16,
1.8987455,
4.915744892036001
],
[
1.8987455,
0,
1.3013341079640002
],
[
0,
0,
0
],
[
1.8987454999999998,
1.8987455,
2.325292598970441e-16
],
[
1.8987455,
0,
4.001019841687
],
[
-1.1626462994852204e-16,
... | [
[
3.797491,
0,
2.325292598970441e-16
],
[
-2.325292598970441e-16,
3.797491,
2.325292598970441e-16
],
[
0,
0,
6.217079
]
] | [
83,
83,
8,
8,
9,
9
] | [
1,
1,
1
] | -2.200452 | 3.1303 | 0.015504 | 129 | 129 | [
"Bi",
"F",
"O"
] |
mp-510369 | mp-510369 | Ce5Pb3O | # generated using pymatgen
data_Ce5Pb3O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.41045137
_cell_length_b 9.41045137
_cell_length_c 9.41045137
_cell_angle_alpha 125.61990336
_cell_angle_beta 125.61990336
_cell_angle_gamma 80.51375760
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ce5Pb3O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.60008800
_cell_length_b 8.60008800
_cell_length_c 14.36326400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.9969280670242185,
3.705594812748012,
4.561510130639241
],
[
4.157817104953621,
7.362247626230859,
-4.22505671705249
],
[
2.4424612840992994,
5.114531155230022,
1.8462467594785048
],
[
3.1885241172896785,
2.264030470755892,
-0.295302941022404
],
[
... | [
[
7.649741752882357,
0,
-3.929753775096028
],
[
-2.018756351493379,
7.378561625985915,
-3.9297537764478725
],
[
0,
0,
9.41045137
]
] | [
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
82,
82,
82,
82,
82,
82,
8,
8
] | [
1,
1,
1
] | -1.033122 | 0 | 0 | 140 | 140 | [
"Ce",
"O",
"Pb"
] |
mp-1112943 | mp-1112943 | Cs2AgSbBr6 | # generated using pymatgen
data_Cs2AgSbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04581875
_cell_length_b 8.04581875
_cell_length_c 8.04581875
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2AgSbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.37850600
_cell_length_b 11.37850600
_cell_length_c 11.37850600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.3226278105817193,
1.6423458750347977,
4.022909375000002
],
[
6.9678834317451575,
4.9270376251043935,
12.068728125000002
],
[
4.645255621163438,
3.2846917500695945,
8.04581875
],
[
0,
0,
0
],
[
3.476722988637292,
4.937246447063609,
6.021... | [
[
6.9678834317451575,
0,
4.022909375000001
],
[
2.3226278105817193,
6.569383500139191,
4.022909375000001
],
[
0,
0,
8.04581875
]
] | [
55,
55,
47,
51,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.410376 | 1.2018 | 0.00738 | 225 | 225 | [
"Ag",
"Br",
"Cs",
"Sb"
] |
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