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-866150 | mp-866150 | LiSm2Os | # generated using pymatgen
data_LiSm2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99748708
_cell_length_b 4.99748708
_cell_length_c 4.99748708
_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_LiSm2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06751401
_cell_length_b 7.06751401
_cell_length_c 7.06751401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8853005109096768,
2.040215557025242,
4.997487079999999
],
[
4.327950766364515,
3.0603233355378636,
7.49623062
],
[
1.4426502554548382,
1.0201077785126205,
2.4987435399999995
],
[
0,
0,
0
]
] | [
[
4.327950766364515,
0,
2.4987435400000004
],
[
1.4426502554548386,
4.080431114050485,
2.4987435400000004
],
[
0,
0,
4.99748708
]
] | [
3,
62,
62,
76
] | [
1,
1,
1
] | -0.138984 | 0 | 0 | 225 | 225 | [
"Li",
"Sm",
"Os"
] |
mp-697139 | mp-697139 | PHN2 | # generated using pymatgen
data_PHN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67225500
_cell_length_b 4.71372000
_cell_length_c 7.10841100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PH... | # generated using pymatgen
data_PHN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67225500
_cell_length_b 4.71372000
_cell_length_c 7.10841100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PH... | [
[
4.601876822935,
3.5943670527600005,
2.7357572742820007
],
[
2.406505677065,
1.1193529472400001,
6.289962774282
],
[
2.265749322935,
3.47621294724,
4.372653725718
],
[
0.07037817706499992,
1.23750705276,
0.8184482257180001
],
[
3.0037273279299996,... | [
[
4.672255,
0,
2.8609310652751083e-16
],
[
-2.8863210550384313e-16,
4.71372,
2.8863210550384313e-16
],
[
0,
0,
7.108411
]
] | [
15,
15,
15,
15,
1,
1,
1,
1,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.552301 | 4.9669 | 0 | 19 | 19 | [
"H",
"N",
"P"
] |
mp-1207593 | mp-1207593 | Yb(Co2Ge)2 | # generated using pymatgen
data_Yb(Co2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25171600
_cell_length_b 7.25171600
_cell_length_c 3.72967200
_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_Yb(Co2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25171600
_cell_length_b 7.25171600
_cell_length_c 3.72967200
_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
],
[
1.8648359999999997,
3.625858,
3.6258580000000005
],
[
-2.5891812329752306e-16,
4.228453844452,
1.0477931931240003
],
[
-1.851214160887592e-16,
3.023262155548,
6.203922806876
],
[
1.8648359999999997,
4.673651193124001,
6.64912... | [
[
3.729672,
0,
2.2837654383347534e-16
],
[
-4.440395393862824e-16,
7.251716,
4.440395393862824e-16
],
[
0,
0,
7.251716
]
] | [
70,
70,
27,
27,
27,
27,
27,
27,
27,
27,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.31867 | 0 | 0.073922 | 136 | 136 | [
"Co",
"Ge",
"Yb"
] |
mp-5794 | mp-5794 | Zn(GaO2)2 | # generated using pymatgen
data_Zn(GaO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98141768
_cell_length_b 5.98141768
_cell_length_c 5.98141768
_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_Zn(GaO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45900201
_cell_length_b 8.45900201
_cell_length_c 8.45900201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.453373107683586,
2.4419035424103264,
5.98141768
],
[
1.7266865538417913,
1.2209517712051627,
2.990708839999999
],
[
5.180059661525381,
1.831427656807744,
8.97212652
],
[
6.0434029384462775,
4.273331199218069,
10.467480940000002
],
[
6.043402938... | [
[
5.18005966152538,
0,
2.9907088400000004
],
[
1.7266865538417937,
4.883807084820651,
2.9907088400000004
],
[
0,
0,
5.98141768
]
] | [
30,
30,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.176957 | 2.3302 | 0 | 227 | 227 | [
"Zn",
"Ga",
"O"
] |
mp-1112946 | mp-1112946 | Cs2KPrF6 | # generated using pymatgen
data_Cs2KPrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94469227
_cell_length_b 6.94469227
_cell_length_c 6.94469227
_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_Cs2KPrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82127799
_cell_length_b 9.82127799
_cell_length_c 9.82127799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.004759975761807,
1.417579373512554,
3.4723461349999996
],
[
6.014279927285418,
4.252738120537655,
10.417038405
],
[
4.009519951523612,
2.8351587470251043,
6.944692269999999
],
[
0,
0,
0
],
[
2.9462634222187254,
4.338830551049821,
5.1030... | [
[
6.01427992728542,
0,
3.472346134999999
],
[
2.004759975761805,
5.670317494050208,
3.4723461350000004
],
[
0,
0,
6.944692269999999
]
] | [
55,
55,
19,
59,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.520621 | 6.3205 | 0.001811 | 225 | 225 | [
"Cs",
"F",
"K",
"Pr"
] |
mp-1025490 | mp-1025490 | TmU2S3O2 | # generated using pymatgen
data_TmU2S3O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.85137043
_cell_length_b 10.85137043
_cell_length_c 10.85137043
_cell_angle_alpha 159.87898709
_cell_angle_beta 159.87898709
_cell_angle_gamma 28.60558533
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_TmU2S3O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79121000
_cell_length_b 3.79121000
_cell_length_c 21.03003600
_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
],
[
1.1355120113954134,
1.1718345564604529,
6.400277672976504
],
[
2.4799047247198884,
2.5592314515327104,
3.126534410679483
],
[
0.46113194302456223,
0.4758825450554961,
2.5991556668867664
],
[
3.1542847930907385,
3.255183462937668,... | [
[
3.7329156914381656,
0,
-0.6622791735943078
],
[
-0.11749895532286397,
3.7310660079931632,
-0.6622791727497053
],
[
0,
0,
10.85137043
]
] | [
69,
92,
92,
16,
16,
16,
8,
8
] | [
1,
1,
1
] | -2.693951 | 0 | 0.03713 | 139 | 139 | [
"O",
"S",
"Tm",
"U"
] |
mp-1067933 | mp-1067933 | PbS | # generated using pymatgen
data_PbS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24533476
_cell_length_b 4.24533476
_cell_length_c 11.31214498
_cell_angle_alpha 85.97736496
_cell_angle_beta 85.97736496
_cell_angle_gamma 90.00011452
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb... | # generated using pymatgen
data_PbS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00380399
_cell_length_b 6.00381599
_cell_length_c 11.31214498
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.69356401
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb... | [
[
0.9530885178608196,
0.9578155951769517,
4.1062296434676595
],
[
3.26083567330367,
3.2770085911953934,
6.610290098557044
],
[
3.0716136214236194,
3.0868480459305294,
3.9310126049973673
],
[
1.1423105697408698,
1.1479761404418156,
6.785507137027337
]
] | [
[
4.234876015710021,
0,
-0.2978126189876483
],
[
-0.020951824545531617,
4.234824186372345,
-0.2978126189876483
],
[
0,
0,
11.31214498
]
] | [
82,
82,
16,
16
] | [
1,
1,
1
] | -0.726482 | 2.2622 | 0.058042 | 12 | 12 | [
"Pb",
"S"
] |
mp-756368 | mp-756368 | Te(WO4)3 | # generated using pymatgen
data_Te(WO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25276900
_cell_length_b 5.38404023
_cell_length_c 7.51961172
_cell_angle_alpha 88.11719750
_cell_angle_beta 89.99286052
_cell_angle_gamma 89.98321791
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Te(WO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25276900
_cell_length_b 5.38404023
_cell_length_c 7.51961172
_cell_angle_alpha 88.11719750
_cell_angle_beta 89.99286052
_cell_angle_gamma 89.98321791
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6252380734688376,
2.703997950379367,
3.8524201073423208
],
[
0.011218161937907561,
0.01211293102095132,
3.8456207145839105
],
[
2.6176124549041537,
2.7997390737577605,
0.09473039885994652
],
[
0.00041513595383775126,
0.10964597178272059,
0.090358193388... | [
[
5.252768959220095,
0,
0.0006545340589105169
],
[
0.0015549577843877256,
5.38113328340796,
0.1768936589135531
],
[
0,
0,
7.51961172
]
] | [
52,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.957288 | 1.8034 | 0.016844 | 1 | 1 | [
"O",
"Te",
"W"
] |
mp-1105062 | mp-1105062 | Er(Ni2P)2 | # generated using pymatgen
data_Er(Ni2P)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05684300
_cell_length_b 7.05684300
_cell_length_c 3.60095300
_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_Er(Ni2P)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05684300
_cell_length_b 7.05684300
_cell_length_c 3.60095300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.600953,
3.5284215,
3.5284215000000003
],
[
1.8004765,
0,
1.1024738913325147e-16
],
[
1.8004764999999996,
4.136523774996,
1.1499831352800003
],
[
1.8004764999999998,
2.9203192250039995,
5.90685986472
],
[
3.600953,
0.608102274996,
2.3784... | [
[
3.600953,
0,
2.2049477826650295e-16
],
[
-4.321070096017703e-16,
7.056843,
4.321070096017703e-16
],
[
0,
0,
7.056843
]
] | [
68,
68,
28,
28,
28,
28,
28,
28,
28,
28,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.836807 | 0 | 0 | 136 | 136 | [
"Er",
"Ni",
"P"
] |
mp-23118 | mp-23118 | CsEr6CI12 | # generated using pymatgen
data_CsEr6CI12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.53225615
_cell_length_b 9.53225615
_cell_length_c 9.53225651
_cell_angle_alpha 72.75704121
_cell_angle_beta 72.75704121
_cell_angle_gamma 72.75703917
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CsEr6CI12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.30748824
_cell_length_b 11.30748824
_cell_length_c 20.83740170
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.59270674757267,
4.431337281642281,
7.591719736062471
],
[
8.711865822772436,
8.60697753945924,
5.660607846478531
],
[
9.024625587589403,
0.7810231958894531,
9.998264173914398
],
[
8.85340513116275,
2.3495570654486815,
3.600685445133879
],
[
2.4... | [
[
9.103842051099086,
0,
2.825591481062471
],
[
2.0815714440462543,
8.862674563284562,
2.825591481062471
],
[
0,
0,
9.53225651
]
] | [
55,
68,
68,
68,
68,
68,
68,
6,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.478025 | 0.252 | 0 | 148 | 148 | [
"C",
"Cs",
"Er",
"I"
] |
mp-971891 | mp-971891 | Zn2PdAu | # generated using pymatgen
data_Zn2PdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42955447
_cell_length_b 4.42955447
_cell_length_c 4.42955447
_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_Zn2PdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26433601
_cell_length_b 6.26433601
_cell_length_c 6.26433601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.836106698466915,
2.712537059841094,
6.644331704999999
],
[
1.278702232822305,
0.9041790199470314,
2.2147772350000006
],
[
0,
0,
0
],
[
2.5574044656446104,
1.808358039894062,
4.429554469999999
]
] | [
[
3.8361066984669154,
0,
2.2147772349999997
],
[
1.2787022328223043,
3.6167160797881257,
2.2147772349999992
],
[
0,
0,
4.42955447
]
] | [
30,
30,
46,
79
] | [
1,
1,
1
] | -0.388126 | 0 | 0.007873 | 225 | 225 | [
"Zn",
"Pd",
"Au"
] |
mp-10740 | mp-10740 | Pa | # generated using pymatgen
data_Pa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29125114
_cell_length_b 3.29125114
_cell_length_c 3.29125114
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pa
_... | # generated using pymatgen
data_Pa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65453200
_cell_length_b 4.65453200
_cell_length_c 4.65453200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pa
_... | [
[
0,
0,
0
]
] | [
[
2.8503070974744937,
0,
1.6456255700000004
],
[
0.9501023658248305,
2.6872953027844804,
1.6456255700000002
],
[
0,
0,
3.2912511399999995
]
] | [
91
] | [
1,
1,
1
] | 0 | 0 | 0 | 225 | 225 | [
"Pa"
] |
mp-1188263 | mp-1188263 | Eu3(InP2)2 | # generated using pymatgen
data_Eu3(InP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30141900
_cell_length_b 6.61207600
_cell_length_c 16.04112000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu3(InP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30141900
_cell_length_b 6.61207600
_cell_length_c 16.04112000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-8.504476420867902e-17,
1.388886400028,
4.8333819494400005
],
[
-3.1982812124727267e-16,
5.223189599972,
11.20773805056
],
[
2.1507095,
1.9171515999720001,
12.85394194944
],
[
2.1507094999999996,
4.694924400028,
3.1871780505600005
],
[
2.1507095,... | [
[
4.301419,
0,
2.6338595050708045e-16
],
[
-4.0487288545595173e-16,
6.612076,
4.0487288545595173e-16
],
[
0,
0,
16.04112
]
] | [
63,
63,
63,
63,
63,
63,
49,
49,
49,
49,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.83551 | 0 | 0 | 58 | 58 | [
"Eu",
"In",
"P"
] |
mp-862263 | mp-862263 | DyAlAg2 | # generated using pymatgen
data_DyAlAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84093081
_cell_length_b 4.84093081
_cell_length_c 4.84093081
_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_DyAlAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84611001
_cell_length_b 6.84611001
_cell_length_c 6.84611001
_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
],
[
2.794912706281852,
1.9763017274363444,
4.84093081
],
[
4.192369059422779,
2.9644525911545156,
7.261396214999998
],
[
1.3974563531409268,
0.9881508637181726,
2.4204654050000007
]
] | [
[
4.19236905942278,
0,
2.4204654049999994
],
[
1.3974563531409256,
3.952603454872687,
2.420465404999999
],
[
0,
0,
4.840930809999999
]
] | [
66,
13,
47,
47
] | [
1,
1,
1
] | -0.335141 | 0 | 0.000883 | 225 | 225 | [
"Ag",
"Al",
"Dy"
] |
mp-545603 | mp-545603 | Ba2BiSbO6 | # generated using pymatgen
data_Ba2BiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13254337
_cell_length_b 6.13254337
_cell_length_c 6.13254337
_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_Ba2BiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67272601
_cell_length_b 8.67272601
_cell_length_c 8.67272601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7703127827432776,
1.2518001734989985,
3.066271685
],
[
5.310938348229833,
3.7554005204969956,
9.198815054999999
],
[
3.5406255654865553,
2.503600346997997,
6.132543369999999
],
[
0,
0,
0
],
[
4.486464738425069,
1.165981760804601,
4.4943... | [
[
5.310938348229832,
0,
3.066271684999999
],
[
1.7703127827432787,
5.007200693995994,
3.0662716849999985
],
[
0,
0,
6.13254337
]
] | [
56,
56,
83,
51,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.444243 | 1.8876 | 0.008765 | 225 | 225 | [
"Ba",
"Bi",
"O",
"Sb"
] |
mp-1078185 | mp-1078185 | Ba2LuSbO6 | # generated using pymatgen
data_Ba2LuSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95881713
_cell_length_b 5.95881713
_cell_length_c 5.95881713
_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_Ba2LuSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42704000
_cell_length_b 8.42704000
_cell_length_c 8.42704000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7201623370286263,
1.2163384532546409,
2.9794085650000004
],
[
5.16048701108588,
3.649015359763924,
8.938225695
],
[
3.440324674057253,
2.432676906509282,
5.95881713
],
[
0,
0,
0
],
[
5.231288892877977,
3.699079850499884,
5.95881713
],... | [
[
5.16048701108588,
0,
2.9794085650000004
],
[
1.7201623370286268,
4.865353813018565,
2.9794085650000004
],
[
0,
0,
5.95881713
]
] | [
56,
56,
71,
51,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.1286 | 3.2383 | 0 | 225 | 225 | [
"Ba",
"Lu",
"O",
"Sb"
] |
mp-1212825 | mp-1212825 | Er3ScS6 | # generated using pymatgen
data_Er3ScS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87394900
_cell_length_b 10.88045100
_cell_length_c 11.14672177
_cell_angle_alpha 70.95941089
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Er3ScS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.88045100
_cell_length_b 3.87394900
_cell_length_c 11.14672177
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.04058911
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.9054617499999997,
4.442971626867268,
7.7287750685077965
],
[
0.9684872499999997,
5.842184889693185,
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],
[
2.9054617499999997,
7.039500530099022,
3.1657679918926314
],
[
0.9684872499999998,
3.245655986461433,
4.4313383914415025
],
... | [
[
3.873949,
0,
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],
[
-6.29784200336765e-16,
10.285156516560454,
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],
[
0,
0,
11.14672177
]
] | [
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68,
68,
68,
68,
68,
21,
21,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.256232 | 1.0478 | 0.072291 | 11 | 11 | [
"Er",
"S",
"Sc"
] |
mp-761066 | mp-761066 | NaNiPO4 | # generated using pymatgen
data_NaNiPO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99089833
_cell_length_b 4.99089695
_cell_length_c 6.76212407
_cell_angle_alpha 90.01392541
_cell_angle_beta 90.01390483
_cell_angle_gamma 64.90553596
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaNiPO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35627300
_cell_length_b 8.42297908
_cell_length_c 6.76212407
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.880325582738415,
3.1034707521252525,
1.6889746511318664
],
[
2.227180801108112,
1.416303900355368,
5.070711696002746
],
[
4.991143387316763,
0.0006011342367198043,
3.379970591817521
],
[
2.1169217996964744,
4.519354310495545,
-0.001204438761932327
],... | [
[
4.990896802592588,
0,
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],
[
2.1166992616008087,
4.519806291124658,
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],
[
0,
0,
6.76212407
]
] | [
11,
11,
28,
28,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.277302 | 3.1657 | 0.031696 | 63 | 63 | [
"Na",
"Ni",
"O",
"P"
] |
mp-505814 | mp-505814 | CsBa2Nb3O10 | # generated using pymatgen
data_CsBa2Nb3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02905500
_cell_length_b 4.02905500
_cell_length_c 16.06989500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_CsBa2Nb3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02905500
_cell_length_b 4.02905500
_cell_length_c 16.06989500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.0145275,
2.0145275,
8.0349475
],
[
2.0145275,
2.0145275,
13.758224534355
],
[
2.0145275,
2.0145275,
2.3116704656450002
],
[
0,
0,
4.66576545409
],
[
0,
0,
11.40412954591
],
[
0,
0,
0
],
[
0,
0,
6.45204677... | [
[
4.029055,
0,
2.4670846546693195e-16
],
[
-2.4670846546693195e-16,
4.029055,
2.4670846546693195e-16
],
[
0,
0,
16.069895
]
] | [
55,
56,
56,
41,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.131538 | 1.4583 | 0 | 123 | 123 | [
"Ba",
"Cs",
"Nb",
"O"
] |
mp-763935 | mp-763935 | V6O7F5 | # generated using pymatgen
data_V6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64541000
_cell_length_b 5.62902182
_cell_length_c 7.81123061
_cell_angle_alpha 87.04639531
_cell_angle_beta 89.13443832
_cell_angle_gamma 89.14426021
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64541000
_cell_length_b 5.62902182
_cell_length_c 7.81123061
_cell_angle_alpha 87.04639531
_cell_angle_beta 89.13443832
_cell_angle_gamma 89.14426021
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5427937364969764,
4.743729834609023,
5.380634539017983
],
[
2.3700019572354964,
2.792699198132996,
0.19649092621429573
],
[
2.22936777998802,
0.9767182077856508,
2.831440962363252
],
[
4.669172402033345,
1.810641060112506,
5.5826888977055225
],
[
... | [
[
4.644879925914402,
0,
0.07017508060144788
],
[
0.07969652944207316,
5.620979194567605,
0.29004828472017935
],
[
0,
0,
7.81123061
]
] | [
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23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.75034 | 0.9162 | 0.036892 | 1 | 1 | [
"F",
"O",
"V"
] |
mp-1188689 | mp-1188689 | Nd(YS2)3 | # generated using pymatgen
data_Nd(YS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99955000
_cell_length_b 11.12653800
_cell_length_c 11.34608328
_cell_angle_alpha 71.12220831
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Nd(YS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.12653800
_cell_length_b 3.99955000
_cell_length_c 11.34608328
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.87779169
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.9998874999999993,
4.754741504899275,
7.5261585965447715
],
[
2.9996625,
5.773309371045146,
0.219925708598448
],
[
0.999887499999999,
8.628569408855654,
8.381973074166575
],
[
2.9996625000000003,
1.8994814670887694,
-0.6358887690233549
],
[
0.99... | [
[
3.99955,
0,
2.4490180527648985e-16
],
[
-6.446571903242913e-16,
10.528050875944423,
-3.5999989748567818
],
[
0,
0,
11.34608328
]
] | [
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60,
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39,
39,
39,
39,
39,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.384736 | 1.0532 | 0 | 11 | 11 | [
"Nd",
"S",
"Y"
] |
mp-1223376 | mp-1223376 | KNa4Cl5 | # generated using pymatgen
data_KNa4Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.80925581
_cell_length_b 14.80925581
_cell_length_c 14.80925581
_cell_angle_alpha 163.82506794
_cell_angle_beta 163.82506794
_cell_angle_gamma 22.95208136
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_KNa4Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16687000
_cell_length_b 4.16687000
_cell_length_c 29.02637799
_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
],
[
1.604308615860966,
1.6370362629064126,
11.290164730042795
],
[
3.2268229778118185,
3.2926496663004836,
7.899194804803593
],
[
0.8153053725182818,
0.8319374757197691,
5.737631693812479
],
[
2.437819734469135,
2.4875508791138405,
... | [
[
4.125428215209114,
0,
-0.5862146560178735
],
[
-0.08329986487901365,
4.124587142020254,
-0.5862146553660491
],
[
0,
0,
14.80925581
]
] | [
19,
11,
11,
11,
11,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.111789 | 4.867 | 0.027545 | 139 | 139 | [
"Cl",
"K",
"Na"
] |
mp-1280737 | mp-1280737 | LiV2CrO6 | # generated using pymatgen
data_LiV2CrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03136343
_cell_length_b 9.64004687
_cell_length_c 5.03076156
_cell_angle_alpha 74.70664627
_cell_angle_beta 119.57988291
_cell_angle_gamma 105.02786322
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_LiV2CrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03076156
_cell_length_b 5.03136343
_cell_length_c 9.62579519
_cell_angle_alpha 90.09635568
_cell_angle_beta 104.97998885
_cell_angle_gamma 119.57988291
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.015515760356542,
0.6377077296093879,
3.7439197519670824
],
[
-0.2672652186095999,
2.7470919164028706,
8.560705580920935
],
[
-1.2728792254402868,
2.1483605470317815,
4.842650049853031
],
[
0.023461064183755882,
0.05039040250442324,
0.02837576091860184
... | [
[
4.8597969772454075,
0,
-1.3003596477628945
],
[
-2.573302682879996,
4.323500858380371,
-0.008461359711363844
],
[
0,
0,
9.625795191670086
]
] | [
3,
3,
23,
23,
23,
23,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.415676 | 1.207 | 0.050548 | 1 | 1 | [
"Cr",
"Li",
"O",
"V"
] |
mp-1228043 | mp-1228043 | AlSiNi2 | # generated using pymatgen
data_AlSiNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57971000
_cell_length_b 4.53011300
_cell_length_c 4.55675930
_cell_angle_alpha 88.10035437
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlSiNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53011300
_cell_length_b 4.57971000
_cell_length_c 4.55675930
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.89964563
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.046825594375803,
1.582776674437359,
1.6023535145100005
],
[
0.3322354058739636,
2.9714783262743873,
3.8922085145100005
],
[
1.784976943620492,
0.7200960294375378,
3.0012671514000004
],
[
2.594084056629275,
3.8341589712742086,
0.7114121514000006
],
... | [
[
4.530113,
0,
2.773894192612907e-16
],
[
-0.1510519997502331,
4.554255000711747,
2.7902103456149673e-16
],
[
0,
0,
4.57971
]
] | [
13,
13,
14,
14,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.577262 | 0 | 0 | 4 | 4 | [
"Al",
"Ni",
"Si"
] |
mp-1215215 | mp-1215215 | ZrSeS | # generated using pymatgen
data_ZrSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74897315
_cell_length_b 3.74896618
_cell_length_c 6.28286601
_cell_angle_alpha 89.99999885
_cell_angle_beta 90.00540288
_cell_angle_gamma 119.99994103
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74896966
_cell_length_b 3.74896966
_cell_length_c 6.28286601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.0000037489729903882122,
9.15889556708707e-17,
6.200327998873185
],
[
0.000004635550437513256,
2.164467998971221,
1.56294610633809
],
[
1.8743975873859358,
1.0820759933216855,
4.802104410801345
]
] | [
[
3.748972989917067,
0,
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],
[
-1.8744795416328774,
3.2467019984568313,
-7.524657371318746e-8
],
[
0,
0,
6.28286601
]
] | [
40,
34,
16
] | [
1,
1,
1
] | -1.744713 | 0.558 | 0.001537 | 156 | 156 | [
"S",
"Se",
"Zr"
] |
mp-983603 | mp-983603 | ErZnAsO | # generated using pymatgen
data_ErZnAsO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93513000
_cell_length_b 3.93513000
_cell_length_c 8.87645300
_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_ErZnAsO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93513000
_cell_length_b 3.93513000
_cell_length_c 8.87645300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.967565,
0,
1.070047532697
],
[
-1.204786089682181e-16,
1.967565,
7.806405467303
],
[
0,
0,
4.4382265
],
[
1.9675649999999998,
1.967565,
4.4382265
],
[
-1.204786089682181e-16,
1.967565,
2.7909698580719997
],
[
1.967565,
0,
... | [
[
3.93513,
0,
2.409572179364362e-16
],
[
-2.409572179364362e-16,
3.93513,
2.409572179364362e-16
],
[
0,
0,
8.876453
]
] | [
68,
68,
30,
30,
33,
33,
8,
8
] | [
1,
1,
1
] | -2.003699 | 1.1523 | 0.000576 | 129 | 129 | [
"Er",
"Zn",
"As",
"O"
] |
mp-1105530 | mp-1105530 | KZnB(H2Cl)2 | # generated using pymatgen
data_KZnB(H2Cl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18539100
_cell_length_b 6.87981400
_cell_length_c 8.04576080
_cell_angle_alpha 78.64058914
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_KZnB(H2Cl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87981400
_cell_length_b 6.18539100
_cell_length_c 8.04576080
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.35941086
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.63904325,
3.3148725967272648,
5.33799572102505
],
[
1.5463477499999998,
3.4301723958300396,
1.3526972862156208
],
[
4.63904325,
0.1806727751706398,
2.683886377214349
],
[
1.5463477499999996,
6.564372217386664,
4.006806630026322
],
[
4.63904325,... | [
[
6.185391,
0,
3.7874596448124234e-16
],
[
-4.1301488801200927e-16,
6.745044992557304,
-1.35506779275933
],
[
0,
0,
8.0457608
]
] | [
19,
19,
30,
30,
5,
5,
1,
1,
1,
1,
1,
1,
1,
1,
17,
17,
17,
17
] | [
1,
1,
1
] | -0.867446 | 4.885 | 0.015614 | 11 | 11 | [
"B",
"Cl",
"H",
"K",
"Zn"
] |
mp-1216124 | mp-1216124 | Y4CrS7 | # generated using pymatgen
data_Y4CrS7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51686063
_cell_length_b 6.51686063
_cell_length_c 11.37948385
_cell_angle_alpha 75.04825653
_cell_angle_beta 75.04825653
_cell_angle_gamma 34.00353680
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y4CrS7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.46409201
_cell_length_b 3.81107600
_cell_length_c 11.37948385
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.65216868
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-9.62840547614332e-16,
3.6805475866776853,
1.3396747514930116
],
[
1.9055380011173955,
2.314480468061737,
8.469256371136067
],
[
4.182099467814078e-16,
0.020559237523736566,
0.08680029545635169
],
[
1.9055380011173944,
4.648091948740424,
5.09209401188013... | [
[
3.8110760022347914,
0,
2.333611013722064e-16
],
[
-1.9055380011173972,
6.000944986496106,
-1.6813853413744158
],
[
0,
0,
11.37948385
]
] | [
39,
39,
39,
39,
24,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.058023 | 0 | 0.060059 | 8 | 8 | [
"Cr",
"S",
"Y"
] |
mp-1025422 | mp-1025422 | HoGe3 | # generated using pymatgen
data_HoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.65443638
_cell_length_b 10.65443638
_cell_length_c 3.94033100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.20132931
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02916800
_cell_length_b 20.92448001
_cell_length_c 3.94033100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9552482500000004,
3.6294581998996054,
8.19425037207279
],
[
0.9850827499999996,
0.3270272623692983,
1.6983345965955274
],
[
2.95524825,
0.755823243799078,
3.925179676321504
],
[
0.9850827500000001,
3.200662218469826,
5.967405292346815
],
[
2.95... | [
[
3.940331,
0,
2.4127568733655446e-16
],
[
6.362513884990961e-16,
3.956485462268904,
-0.7618514113316828
],
[
0,
0,
10.65443638
]
] | [
67,
67,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.447843 | 0 | 0.015239 | 63 | 63 | [
"Ge",
"Ho"
] |
mp-8547 | mp-8547 | PdPtF6 | # generated using pymatgen
data_PdPtF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67341312
_cell_length_b 5.67341312
_cell_length_c 5.67341269
_cell_angle_alpha 54.43095279
_cell_angle_beta 54.43095279
_cell_angle_gamma 54.43094629
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PdPtF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18933618
_cell_length_b 5.18933618
_cell_length_c 14.45340448
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.156002449022247,
2.145715487957117,
5.2099875232181265
],
[
1.217449022825906,
1.7993498024601033,
5.448469501138993
],
[
3.1772678612050202,
3.1413060172143394,
6.925556987400747
],
[
2.747933742145812,
3.8210343523513473,
... | [
[
4.614840022702023,
0,
2.3732811782181265
],
[
1.6971648753424704,
4.291430975914234,
2.373281178218127
],
[
0,
0,
5.67341269
]
] | [
46,
78,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.599856 | 0 | 0 | 148 | 148 | [
"Pd",
"Pt",
"F"
] |
mp-752473 | mp-752473 | SmTh4O10 | # generated using pymatgen
data_SmTh4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87108111
_cell_length_b 6.87108111
_cell_length_c 6.87108111
_cell_angle_alpha 99.59899832
_cell_angle_beta 99.59899832
_cell_angle_gamma 131.79727252
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SmTh4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.87007600
_cell_length_b 8.87007600
_cell_length_c 5.61164200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.122444067837225,
6.272090889961902,
9.16260739548159
],
[
5.6291536739545,
2.505292624631932,
8.029916214223583
],
[
2.0545124279077385,
3.766798265329969,
2.278454324046398
],
[
4.099404906069178,
1.2408579174882826,
4.578419813554262
],
[
3.5... | [
[
5.122444068050024,
0,
2.2915262855767837
],
[
2.5612220338122134,
6.272090889961902,
1.1457631426931971
],
[
0,
0,
6.87108111
]
] | [
62,
90,
90,
90,
90,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -4.117498 | 0 | 0.020393 | 87 | 87 | [
"O",
"Sm",
"Th"
] |
mp-2179 | mp-2179 | TiRe | # generated using pymatgen
data_TiRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11873900
_cell_length_b 3.11873900
_cell_length_c 3.11873900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti... | # generated using pymatgen
data_TiRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11873900
_cell_length_b 3.11873900
_cell_length_c 3.11873900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti... | [
[
1.5593695,
1.5593695,
1.5593695000000003
],
[
0,
0,
0
]
] | [
[
3.118739,
0,
1.9096768668630087e-16
],
[
-1.9096768668630087e-16,
3.118739,
1.9096768668630087e-16
],
[
0,
0,
3.118739
]
] | [
22,
75
] | [
1,
1,
1
] | -0.397939 | 0 | 0 | 221 | 221 | [
"Ti",
"Re"
] |
mp-22522 | mp-22522 | ZrCuSi | # generated using pymatgen
data_ZrCuSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94247900
_cell_length_b 6.54258300
_cell_length_c 7.31607900
_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_ZrCuSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94247900
_cell_length_b 6.54258300
_cell_length_c 7.31607900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9856197499999998,
3.3345648201929996,
5.072149777752
],
[
2.95685925,
3.208018179807,
2.2439292222480005
],
[
0.98561975,
0.063273320193,
5.901968722248
],
[
2.9568592499999995,
6.479309679807,
1.4141102777520005
],
[
2.9568592499999995,
5.... | [
[
3.942479,
0,
2.414072144027829e-16
],
[
-4.0061766645529436e-16,
6.542583,
4.0061766645529436e-16
],
[
0,
0,
7.316079
]
] | [
40,
40,
40,
40,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.644552 | 0 | 0 | 62 | 62 | [
"Zr",
"Cu",
"Si"
] |
mp-778681 | mp-778681 | V3SnO8 | # generated using pymatgen
data_V3SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56729677
_cell_length_b 6.56729677
_cell_length_c 6.61842078
_cell_angle_alpha 74.11436891
_cell_angle_beta 74.11436891
_cell_angle_gamma 34.16232040
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V3SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.55522200
_cell_length_b 3.85797200
_cell_length_c 6.61842078
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.63950012
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-6.049403797630541e-16,
4.858513285044243,
0.6572570682832887
],
[
1.928986000134997,
1.2650198003764752,
4.332552683253058
],
[
-1.7565238496761043e-16,
3.6170472006161987,
3.7306603192462555
],
[
1.928986000134997,
2.381150764035002,
1.226260365489297
... | [
[
3.857972000269994,
0,
2.3623265306653797e-16
],
[
-1.9289860001349972,
6.014738495513865,
-1.7975874685586843
],
[
0,
0,
6.61842078
]
] | [
23,
23,
23,
50,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.317558 | 0.8609 | 0.069519 | 8 | 8 | [
"O",
"Sn",
"V"
] |
mp-158 | mp-158 | As | # generated using pymatgen
data_As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01330785
_cell_length_b 6.01330785
_cell_length_c 4.68642700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 144.09925576
_symmetry_Int_Tables_number 1
_chemical_formula_structural As
... | # generated using pymatgen
data_As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70652000
_cell_length_b 11.44120600
_cell_length_c 4.68642700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural As
... | [
[
0.3735128020918936,
0.32162948501,
1.1529512621782785
],
[
3.152587965334035,
4.364797514989999,
3.7180326914834376
],
[
1.3895375816210704,
2.66484298501,
4.28919463965258
],
[
2.136563185804858,
2.0215840149899997,
0.5817893140091361
]
] | [
[
3.5261007674259277,
0,
-1.1423238963382851
],
[
7.53634940475613e-16,
4.686427,
2.869608912493867e-16
],
[
0,
0,
6.01330785
]
] | [
33,
33,
33,
33
] | [
1,
1,
1
] | 0.024336 | 0.0777 | 0.024336 | 64 | 64 | [
"As"
] |
mp-600576 | mp-600576 | GdFeO3 | # generated using pymatgen
data_GdFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39494200
_cell_length_b 5.66608500
_cell_length_c 7.77632100
_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_GdFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39494200
_cell_length_b 5.66608500
_cell_length_c 7.77632100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.305526231292,
0.37282272691499996,
1.9440802500000005
],
[
2.6080552312920005,
2.460219773085,
5.83224075
],
[
2.786886768708,
3.2058652269150003,
1.9440802500000005
],
[
0.08941576870799968,
5.293262273084999,
5.83224075
],
[
-1.73473821473670... | [
[
5.394942,
0,
3.30344922594281e-16
],
[
-3.4694764294734155e-16,
5.666085,
3.4694764294734155e-16
],
[
0,
0,
7.776321
]
] | [
64,
64,
64,
64,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.797176 | 0 | 0.004078 | 62 | 62 | [
"Fe",
"Gd",
"O"
] |
mp-36536 | mp-36536 | NaCeS2 | # generated using pymatgen
data_NaCeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20774404
_cell_length_b 7.20774404
_cell_length_c 7.20774404
_cell_angle_alpha 133.27742904
_cell_angle_beta 133.27742904
_cell_angle_gamma 68.21879714
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaCeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71614000
_cell_length_b 5.71614000
_cell_length_c 11.93556800
_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
],
[
3.690902262198573,
1.2888523091691213,
1.3372643035414695
],
[
0.5776134609203984,
3.8665569275073652,
1.3372643035279057
],
[
2.1342578615594863,
2.577704618338243,
-2.2666077164653116
],
[
3.1434587654607813,
3.7965928687564285... | [
[
5.24754666283766,
0,
-2.266607716451748
],
[
-0.9790309397186887,
5.155409236676486,
-2.266607716478875
],
[
0,
0,
7.20774404
]
] | [
11,
11,
58,
58,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.974516 | 0 | 0.024804 | 141 | 141 | [
"Ce",
"Na",
"S"
] |
mp-1206637 | mp-1206637 | LiVSe2 | # generated using pymatgen
data_LiVSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53422557
_cell_length_b 3.53422557
_cell_length_c 6.45915900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999191
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiVSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53422557
_cell_length_b 3.53422557
_cell_length_c 6.45915900
_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,
3.2295795
],
[
0,
0,
0
],
[
1.7671130010830893,
1.0202430005229661,
4.9524374392290005
],
[
1.0757488235140353e-15,
2.0404860010459314,
1.5067215607709994
]
] | [
[
3.534226002166179,
0,
1.00116474441757e-15
],
[
-1.767113001083089,
3.0607290015688977,
2.1640890158826149e-16
],
[
0,
0,
6.459159
]
] | [
3,
23,
34,
34
] | [
1,
1,
1
] | -1.11769 | 0 | 0.040921 | 164 | 164 | [
"Li",
"Se",
"V"
] |
mp-7211 | mp-7211 | CsPrHgSe3 | # generated using pymatgen
data_CsPrHgSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48733253
_cell_length_b 8.48733253
_cell_length_c 11.47397300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.71670666
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CsPrHgSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43388800
_cell_length_b 16.38535600
_cell_length_c 11.47397300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.216943999802487,
4.011872488769571,
2.868493250000003
],
[
8.198011934805261e-16,
4.18080550908534,
8.60547975
],
[
0,
0,
5.7369865
],
[
0,
0,
0
],
[
2.2169439998024862,
0.6794843277860904,
8.60547975
],
[
1.6195267859957417e-15... | [
[
4.4338879996049725,
0,
1.256018246478828e-15
],
[
-2.2169439998024845,
8.192677997854911,
5.196992308081853e-16
],
[
0,
0,
11.473973
]
] | [
55,
55,
59,
59,
80,
80,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.466901 | 1.3367 | 0 | 63 | 63 | [
"Cs",
"Hg",
"Pr",
"Se"
] |
mp-1078716 | mp-1078716 | SrMoO3 | # generated using pymatgen
data_SrMoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77399566
_cell_length_b 5.77399566
_cell_length_c 5.77399566
_cell_angle_alpha 121.27370561
_cell_angle_beta 119.92282174
_cell_angle_gamma 88.97091685
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrMoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66248000
_cell_length_b 5.78073000
_cell_length_c 8.23866400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.914535131592392,
3.5264034675136955,
8.586960121951313
],
[
1.64856773137452,
1.2056647270098844,
2.843854146042913
],
[
3.2815514314834564,
2.36603409726179,
5.715407133997113
],
[
0,
0,
0
],
[
3.9899081165020953,
0.83895310227528,
4.4... | [
[
4.935017691050478,
0,
2.7765590435907375
],
[
1.6280851719164344,
4.73206819452358,
2.880259564182195
],
[
0,
0,
5.773995660221293
]
] | [
38,
38,
42,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.588434 | 0 | 0.009093 | 74 | 74 | [
"Mo",
"O",
"Sr"
] |
mp-1114456 | mp-1114456 | Rb2NaScF6 | # generated using pymatgen
data_Rb2NaScF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18652248
_cell_length_b 6.18652248
_cell_length_c 6.18652248
_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_Rb2NaScF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74906400
_cell_length_b 8.74906400
_cell_length_c 8.74906400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7858952095878355,
1.26281861318813,
3.093261240000001
],
[
5.357685628763507,
3.788455839564388,
9.27978372
],
[
3.571790419175672,
2.5256372263762588,
6.186522479999999
],
[
0,
0,
0
],
[
2.618947460842597,
3.8731606608625953,
4.5361500... | [
[
5.357685628763507,
0,
3.093261239999999
],
[
1.7858952095878347,
5.0512744527525175,
3.093261239999999
],
[
0,
0,
6.18652248
]
] | [
37,
37,
11,
21,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.577742 | 6.9076 | 0 | 225 | 225 | [
"F",
"Na",
"Rb",
"Sc"
] |
mp-554921 | mp-554921 | Hg(BiS2)2 | # generated using pymatgen
data_Hg(BiS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54140081
_cell_length_b 7.54140081
_cell_length_c 14.28168265
_cell_angle_alpha 62.41304200
_cell_angle_beta 62.41304200
_cell_angle_gamma 31.58568553
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Hg(BiS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.51345600
_cell_length_b 4.10493600
_cell_length_c 14.28168265
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.76778835
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
0.9947597239374422,
3.6266626495192504,
6.621559718740119
],
[
2.285327738506148,
3.1870966297469203,
11.437994456998286
],
[
3.3015073999651223,
0.5688275299264957,
5.236913048350891
],
[
3.7550968945090677,
4.066228669291582,
... | [
[
4.05090518514033,
0,
0.6638273533867702
],
[
1.9895194478748843,
7.253325299038501,
0.55119021210861
],
[
0,
0,
12.691929225371629
]
] | [
80,
80,
83,
83,
83,
83,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.583939 | 1.3446 | 0 | 12 | 12 | [
"Bi",
"Hg",
"S"
] |
mp-608081 | mp-608081 | Rb3Pb4Au | # generated using pymatgen
data_Rb3Pb4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98171700
_cell_length_b 7.17215400
_cell_length_c 15.67187800
_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_Rb3Pb4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98171700
_cell_length_b 7.17215400
_cell_length_c 15.67187800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
6.9385071534869995,
3.586077,
7.835939000000001
],
[
4.217927526663,
3.586077,
10.877270660314
],
[
0.043209846513,
0,
2.6458400111896937e-18
],
[
2.763789473337,
0,
12.630546339686
],
[
2.763789473337,
0,
3.0413316603140004
],
[
... | [
[
6.981717,
0,
4.2750686883013307e-16
],
[
-4.391677719545943e-16,
7.172154,
4.391677719545943e-16
],
[
0,
0,
15.671878
]
] | [
37,
37,
37,
37,
37,
37,
82,
82,
82,
82,
82,
82,
82,
82,
79,
79
] | [
1,
1,
1
] | -0.125703 | 0.1981 | 0.076234 | 59 | 59 | [
"Au",
"Pb",
"Rb"
] |
mp-1223808 | mp-1223808 | In2SnPb | # generated using pymatgen
data_In2SnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30484600
_cell_length_b 3.30484600
_cell_length_c 10.60790300
_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_In2SnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30484600
_cell_length_b 3.30484600
_cell_length_c 10.60790300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
5.289917244331
],
[
1.652423,
1.652423,
7.926172082085001
],
[
1.652423,
1.652423,
2.6775195804240006
],
[
0,
0,
0.01824559316
]
] | [
[
3.304846,
0,
2.0236345377874668e-16
],
[
-2.0236345377874668e-16,
3.304846,
2.0236345377874668e-16
],
[
0,
0,
10.607903
]
] | [
49,
49,
50,
82
] | [
1,
1,
1
] | 0.032529 | 0 | 0.033704 | 99 | 99 | [
"In",
"Pb",
"Sn"
] |
mp-567809 | mp-567809 | AgI | # generated using pymatgen
data_AgI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58910300
_cell_length_b 4.58910300
_cell_length_c 6.67318300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgI... | # generated using pymatgen
data_AgI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58910300
_cell_length_b 4.58910300
_cell_length_c 6.67318300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgI... | [
[
0,
0,
0
],
[
2.2945515,
2.2945515,
2.810015149953758e-16
],
[
-1.405007574976879e-16,
2.2945515,
4.8611402149969996
],
[
2.2945515,
0,
1.8120427850029999
]
] | [
[
4.589103,
0,
2.810015149953758e-16
],
[
-2.810015149953758e-16,
4.589103,
2.810015149953758e-16
],
[
0,
0,
6.673183
]
] | [
47,
47,
53,
53
] | [
1,
1,
1
] | -0.44573 | 2.2061 | 0.024783 | 129 | 129 | [
"Ag",
"I"
] |
mp-28850 | mp-28850 | MnAlF5 | # generated using pymatgen
data_MnAlF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33934019
_cell_length_b 5.33934019
_cell_length_c 9.70182600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 140.20484362
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnAlF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63438000
_cell_length_b 10.04119000
_cell_length_c 9.70182600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8171900006172494,
2.8460568944211854e-17,
4.850913000000001
],
[
1.8171900006172494,
2.8460568944211854e-17,
5.147680316456993e-16
],
[
1.8171900006172497,
2.944749668441521,
7.276369500000001
],
[
-2.8653014446698066e-16,
2.0758453327715727,
2.4254565... | [
[
3.6343800012345,
0,
1.0295360632913986e-15
],
[
-1.8171900006172497,
5.020595001213095,
3.26940293662116e-16
],
[
0,
0,
9.701826
]
] | [
25,
25,
13,
13,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.47489 | 4.4654 | 0.008889 | 63 | 63 | [
"Al",
"F",
"Mn"
] |
mp-6922 | mp-6922 | SiO2 | # generated using pymatgen
data_SiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10620454
_cell_length_b 5.10620454
_cell_length_c 5.59048200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000695
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10620454
_cell_length_b 5.10620454
_cell_length_c 5.59048200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
-1.2765510008993062,
2.2110515017027836,
1.8634940000000002
],
[
-1.3322676295501878e-15,
4.422103003405567,
3.7269880000000013
],
[
1.2765510008993048,
2.2110515017027836,
5.590482000000001
],
[
-0.957816640790764,
3.5010673898562565,
2.7952410000000003... | [
[
5.106204003597222,
0,
1.4464698700852952e-15
],
[
-2.5531020017986124,
4.422103003405567,
3.1266485228513416e-16
],
[
0,
0,
5.590482
]
] | [
14,
14,
14,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.254496 | 5.5369 | 0.012683 | 180 | 180 | [
"O",
"Si"
] |
mp-6951 | mp-6951 | RbCdF3 | # generated using pymatgen
data_RbCdF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50292800
_cell_length_b 4.50292800
_cell_length_c 4.50292800
_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_RbCdF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50292800
_cell_length_b 4.50292800
_cell_length_c 4.50292800
_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
],
[
2.251464,
2.251464,
2.2514640000000004
],
[
-1.378624090497748e-16,
2.251464,
2.251464
],
[
2.251464,
0,
2.251464
],
[
2.251464,
2.251464,
2.757248180995496e-16
]
] | [
[
4.502928,
0,
2.757248180995496e-16
],
[
-2.757248180995496e-16,
4.502928,
2.757248180995496e-16
],
[
0,
0,
4.502928
]
] | [
37,
48,
9,
9,
9
] | [
1,
1,
1
] | -2.705741 | 3.6432 | 0 | 221 | 221 | [
"Rb",
"Cd",
"F"
] |
mp-1113067 | mp-1113067 | Cs2ScInCl6 | # generated using pymatgen
data_Cs2ScInCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88807313
_cell_length_b 7.88807313
_cell_length_c 7.88807313
_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_Cs2ScInCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.15542000
_cell_length_b 11.15542000
_cell_length_c 11.15542000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2770905724964776,
1.6101461851882188,
3.9440365650000015
],
[
6.831271717489431,
4.83043855556465,
11.832109694999998
],
[
0,
0,
0
],
[
4.554181144992954,
3.2202923703764346,
7.8880731299999995
],
[
3.3012257200202026,
4.9922389254218436,
... | [
[
6.8312717174894315,
0,
3.9440365649999993
],
[
2.2770905724964754,
6.4405847407528665,
3.944036564999999
],
[
0,
0,
7.8880731299999995
]
] | [
55,
55,
21,
49,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.216745 | 2.838 | 0.005676 | 225 | 225 | [
"Cl",
"Cs",
"In",
"Sc"
] |
mp-1106202 | mp-1106202 | Ce2Zn5Sn | # generated using pymatgen
data_Ce2Zn5Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51837379
_cell_length_b 8.51837379
_cell_length_c 8.93571400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.84910918
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ce2Zn5Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43110000
_cell_length_b 16.45041400
_cell_length_c 8.93571400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.2155500002651753,
4.807946050419027,
6.7017855000000015
],
[
8.582594934077625e-17,
3.4172609513824432,
2.2339285000000006
],
[
0,
0,
4.467857
],
[
0,
0,
0
],
[
4.0496523797905257e-17,
3.0551050870931244,
5.415516276842001
],
[
... | [
[
4.431100000530351,
0,
1.2552284706186342e-15
],
[
-2.215550000265176,
8.22520700180147,
5.215999597932104e-16
],
[
0,
0,
8.935714
]
] | [
58,
58,
58,
58,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
50,
50
] | [
1,
1,
1
] | -0.468176 | 0 | 0 | 63 | 63 | [
"Ce",
"Sn",
"Zn"
] |
mp-1095130 | mp-1095130 | DySiAg | # generated using pymatgen
data_DySiAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05486002
_cell_length_b 7.05486002
_cell_length_c 4.19685000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000016
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DySiAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05486002
_cell_length_b 7.05486002
_cell_length_c 4.19685000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0984250000000015,
3.5485678800853604,
-2.048766614198629
],
[
2.098425000000001,
2.5611201075273877,
1.4786633930438966
],
[
2.098425,
2.2952066001300132e-16,
4.0975332482162
],
[
7.797120063194719e-16,
2.036562662537583,
3.527430015687156
],
[
... | [
[
4.19685,
0,
2.569829459500785e-16
],
[
2.339136018958415e-15,
6.109687987612748,
-3.527429992938532
],
[
0,
0,
7.05486002
]
] | [
66,
66,
66,
14,
14,
14,
47,
47,
47
] | [
1,
1,
1
] | -0.574011 | 0 | 0 | 189 | 189 | [
"Ag",
"Dy",
"Si"
] |
mp-1185695 | mp-1185695 | MgAu5 | # generated using pymatgen
data_MgAu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64451327
_cell_length_b 5.64451327
_cell_length_c 5.64451372
_cell_angle_alpha 53.51278761
_cell_angle_beta 53.51278761
_cell_angle_gamma 53.51278566
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MgAu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08229818
_cell_length_b 5.08229818
_cell_length_c 14.46566692
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1152006114969955,
2.10540027948496,
5.110298229886398
],
[
4.715351078234464,
4.210800558969919,
3.8122224164775917
],
[
2.6423583473675394,
2.8050290031583716,
2.288041369886398
],
[
0.5649630731357941,
1.4057715558115487,
0.763860323295204
],
[
... | [
[
4.538129947250184,
0,
2.2880413698863977
],
[
1.692271275743807,
4.21080055896992,
2.288041369886398
],
[
0,
0,
5.64451372
]
] | [
12,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.253064 | 0 | 0.022363 | 155 | 155 | [
"Au",
"Mg"
] |
mp-23407 | mp-23407 | Hg(IO3)2 | # generated using pymatgen
data_Hg(IO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62413500
_cell_length_b 5.97066300
_cell_length_c 9.16421828
_cell_angle_alpha 77.59548956
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Hg(IO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97066300
_cell_length_b 5.62413500
_cell_length_c 9.16421828
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.40451044
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.4333839185049997,
0.3925792692854867,
1.5010793410219647
],
[
4.245451418505,
5.438700817541995,
6.380567612096649
],
[
4.108981782730001,
2.4587359234904596,
0.8307350023088516
],
[
1.2969142827299995,
3.3725441633370217,
7.050911950809763
],
[
... | [
[
5.624135,
0,
3.4437894628612996e-16
],
[
-3.570629246632488e-16,
5.831280086827482,
-1.2825713268813852
],
[
0,
0,
9.16421828
]
] | [
80,
80,
53,
53,
53,
53,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.805131 | 2.714 | 0 | 4 | 4 | [
"Hg",
"I",
"O"
] |
mp-1104180 | mp-1104180 | Pr2Te5 | # generated using pymatgen
data_Pr2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 22.65240897
_cell_length_b 22.65240897
_cell_length_c 4.46476600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 168.68764995
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46518000
_cell_length_b 45.08424000
_cell_length_c 4.46476600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.348574500000001,
4.009253834062208,
17.82841421122078
],
[
1.1161915000000002,
0.4341863102625487,
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],
[
3.348574500000001,
3.080388219412272,
8.449800069530946
],
[
1.1161915000000004,
1.3630519249124853,
13.762526954622551
],
[
... | [
[
4.464766,
0,
2.7338806954209656e-16
],
[
1.7012015852117212e-15,
4.443440144324757,
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],
[
0,
0,
22.65240897
]
] | [
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59,
59,
59,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.389296 | 0 | 0.033756 | 63 | 63 | [
"Pr",
"Te"
] |
mp-754332 | mp-754332 | LiFe7(OF3)3 | # generated using pymatgen
data_LiFe7(OF3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44956828
_cell_length_b 5.72286781
_cell_length_c 9.55733517
_cell_angle_alpha 85.78955832
_cell_angle_beta 71.93454104
_cell_angle_gamma 117.61620899
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_LiFe7(OF3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44956828
_cell_length_b 5.72286781
_cell_length_c 9.42008530
_cell_angle_alpha 69.96135580
_cell_angle_beta 74.69936950
_cell_angle_gamma 62.38379101
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.633286950038066,
2.738225280715599,
1.5252478235825264
],
[
5.386137735913688,
2.0572680719643683,
9.197436164254151
],
[
2.564102100087603,
2.3246361693303266,
4.665982836487421
],
[
2.9151620176791257,
0.2982141650339615,
7.763254230188481
],
[
... | [
[
5.448669262218841,
0,
0.09898337907820924
],
[
2.6250431931840676,
4.842396808163843,
1.5529189795146452
],
[
0,
0,
9.194800185627859
]
] | [
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26,
26,
26,
26,
26,
26,
26,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.254267 | 2.3048 | 0.062082 | 1 | 1 | [
"F",
"Fe",
"Li",
"O"
] |
mp-1178397 | mp-1178397 | CsGaO2 | # generated using pymatgen
data_CsGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01650290
_cell_length_b 6.01650290
_cell_length_c 6.01650290
_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_CsGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50862000
_cell_length_b 8.50862000
_cell_length_c 8.50862000
_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
],
[
5.210444353342746,
3.6843405352438117,
9.024754350000002
],
[
3.473629568895164,
2.4562270234958747,
6.016502900000001
],
[
1.7368147844475825,
1.2281135117479383,
3.0082514500000013
],
[
2.605222176671373,
1.8421702676219058,
... | [
[
5.210444353342746,
0,
3.0082514500000013
],
[
1.7368147844475823,
4.912454046991749,
3.008251450000001
],
[
0,
0,
6.0165029
]
] | [
55,
55,
31,
31,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.070298 | 2.7969 | 0.030829 | 227 | 227 | [
"Cs",
"Ga",
"O"
] |
mp-10251 | mp-10251 | LiDyO2 | # generated using pymatgen
data_LiDyO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15780500
_cell_length_b 6.26878900
_cell_length_c 6.35684217
_cell_angle_alpha 60.11879508
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiDyO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26878900
_cell_length_b 6.15780500
_cell_length_c 6.35684217
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.88120492
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.111111077175,
1.2312181437118213,
5.187880668363729
],
[
5.190013577175,
1.5003424163293138,
2.761822063183065
],
[
4.046693922825,
4.23190297637045,
-1.937688366114316
],
[
0.9677914228249997,
3.9627787037529574,
0.48837023906634675
],
[
5.350... | [
[
6.157805,
0,
3.7705680915117836e-16
],
[
-3.3451968965315287e-16,
5.463121120082272,
-3.074414278172675
],
[
0,
0,
6.324606580422087
]
] | [
3,
3,
3,
3,
66,
66,
66,
66,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.284567 | 4.3417 | 0.007044 | 14 | 14 | [
"Dy",
"Li",
"O"
] |
mp-1216980 | mp-1216980 | U4CuTe12 | # generated using pymatgen
data_U4CuTe12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41086921
_cell_length_b 7.41086921
_cell_length_c 11.29919626
_cell_angle_alpha 71.18475136
_cell_angle_beta 71.18475136
_cell_angle_gamma 69.40342128
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_U4CuTe12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.18535200
_cell_length_b 8.43807600
_cell_length_c 11.29919626
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.09747472
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.716032656399777,
1.2918710987276476,
2.730548829287948
],
[
6.157014312058967,
4.635150044806864,
5.087792134086837
],
[
6.261819060929932,
2.089826577706927,
12.168798842975553
],
[
3.7399286513736127,
5.439732232320854,
12.168798842975553
],
[
... | [
[
7.014857994574038,
0,
2.390135929960206
],
[
1.9398353359750617,
6.741310818627325,
2.390135929960206
],
[
0,
0,
11.29919626
]
] | [
92,
92,
92,
92,
29,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.806217 | 0 | 0 | 8 | 8 | [
"Cu",
"Te",
"U"
] |
mp-568673 | mp-568673 | Y(SiRu)2 | # generated using pymatgen
data_Y(SiRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62776231
_cell_length_b 5.62776231
_cell_length_c 5.62776231
_cell_angle_alpha 136.31551059
_cell_angle_beta 136.31551059
_cell_angle_gamma 63.49292631
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Y(SiRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18764400
_cell_length_b 4.18764400
_cell_length_c 9.57152600
_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
],
[
2.061836174511561,
2.4245922570154836,
-0.48380672365083177
],
[
1.2006867290663616,
1.4119335873448777,
2.995523739367581
],
[
2.7591409325838288,
0.9591314610900905,
1.2558585078447617
],
[
0.5033819709940948,
2.877394383270271... | [
[
3.887020413378695,
0,
-1.5580226471688503
],
[
-0.624497509800772,
3.836525844360361,
-1.5580226471144003
],
[
0,
0,
5.62776231
]
] | [
39,
14,
14,
44,
44
] | [
1,
1,
1
] | -0.888055 | 0 | 0 | 139 | 139 | [
"Y",
"Si",
"Ru"
] |
mp-1221647 | mp-1221647 | MnCr | # generated using pymatgen
data_MnCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46355442
_cell_length_b 2.46355442
_cell_length_c 3.98486400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.92683266
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MnCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82864999
_cell_length_b 4.03424599
_cell_length_c 3.98486400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | [
[
0.8119630651462457,
1.1580290060512712,
1.9924320000000002
],
[
0,
0,
0
]
] | [
[
2.4635544199999995,
0,
1.5084920174891567e-16
],
[
-0.8396282897075076,
2.3160580121025425,
1.5084920174891572e-16
],
[
0,
0,
3.984864
]
] | [
25,
24
] | [
1,
1,
1
] | 0.066858 | 0 | 0.066858 | 65 | 65 | [
"Cr",
"Mn"
] |
mp-20174 | mp-20174 | Ni3Sn4 | # generated using pymatgen
data_Ni3Sn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47249458
_cell_length_b 6.47249458
_cell_length_c 5.27045436
_cell_angle_alpha 75.60505407
_cell_angle_beta 75.60505407
_cell_angle_gamma 36.87322882
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ni3Sn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.28057600
_cell_length_b 4.09392200
_cell_length_c 5.27045436
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.19201198
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0.6913905684069596,
1.7115291806575812,
2.073970735657851
],
[
2.755612101985577,
3.374738815353059,
1.7935407399651395
],
[
1.3630462159435226,
3.4965193299815427,
4.08874244514149
],
[
2.0839564544490146,
1.5897486660290976,
... | [
[
3.8837977898813696,
0,
-1.2947247110852012
],
[
-0.43679511948883226,
5.0862679960106405,
-1.3102583932918093
],
[
0,
0,
6.47249458
]
] | [
28,
28,
28,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.22278 | 0 | 0 | 12 | 12 | [
"Ni",
"Sn"
] |
mp-542587 | mp-542587 | Ge3Pt2 | # generated using pymatgen
data_Ge3Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45144900
_cell_length_b 6.31267400
_cell_length_c 16.61627600
_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_Ge3Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45144900
_cell_length_b 6.31267400
_cell_length_c 16.61627600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.8628622499999997,
5.943186878106,
7.126272136948
],
[
0.8628622499999997,
5.311004140376,
12.153160882676
],
[
2.58858675,
0.369487121894,
9.490003863052001
],
[
0.8628622499999998,
3.5258241218940003,
15.434410136948
],
[
2.58858675,
2.619... | [
[
3.451449,
0,
2.1134029851351668e-16
],
[
-3.8653980040803594e-16,
6.312674,
3.8653980040803594e-16
],
[
0,
0,
16.616276
]
] | [
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.412468 | 0 | 0 | 62 | 62 | [
"Ge",
"Pt"
] |
mp-1222892 | mp-1222892 | LaNi5H6 | # generated using pymatgen
data_LaNi5H6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41090732
_cell_length_b 5.41090732
_cell_length_c 4.06915500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999168
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaNi5H6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41090732
_cell_length_b 5.41090732
_cell_length_c 4.06915500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.4930635805050006,
0,
3.0191436782079116e-17
],
[
0.02570078298000055,
1.5619945298352742,
2.7054534331806077
],
[
0.02570078298000115,
3.1239890596705484,
-4.536387861170556e-7
],
[
2.0174504266050013,
2.342991794752911,
4.058180149770911
],
[
... | [
[
4.069155,
0,
2.491638822992224e-16
],
[
1.794061009446734e-15,
4.685983589505822,
-2.705454340458179
],
[
0,
0,
5.410907320000001
]
] | [
57,
28,
28,
28,
28,
28,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | -0.245727 | 0 | 0.073218 | 183 | 183 | [
"H",
"La",
"Ni"
] |
mp-582635 | mp-582635 | U6Co | # generated using pymatgen
data_U6Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66916903
_cell_length_b 7.66916903
_cell_length_c 7.66916903
_cell_angle_alpha 96.49741736
_cell_angle_beta 96.49741736
_cell_angle_gamma 140.68579398
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | # generated using pymatgen
data_U6Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.21377600
_cell_length_b 10.21377600
_cell_length_c 5.15966800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7812189188576687,
0.8086947905183298,
5.482158881697447
],
[
3.6442297852912033,
2.252808622810955,
5.136330312496199
],
[
5.616796804923601,
3.6111151372131225,
7.283317118470424
],
[
6.507245510693799,
6.413535483907915,
4.790503478954591
],
[
... | [
[
4.858976286380448,
0,
1.7356622204392649
],
[
2.4294881431710196,
7.222230274426245,
0.867831110212772
],
[
0,
0,
7.66916903
]
] | [
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
27,
27
] | [
1,
1,
1
] | -0.035855 | 0 | 0.040777 | 140 | 140 | [
"Co",
"U"
] |
mp-27124 | mp-27124 | Cu4(BiS2)5 | # generated using pymatgen
data_Cu4(BiS2)5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.00650424
_cell_length_b 9.00650424
_cell_length_c 12.91255899
_cell_angle_alpha 73.02444896
_cell_angle_beta 73.02444896
_cell_angle_gamma 25.01699025
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cu4(BiS2)5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.58545001
_cell_length_b 3.90133600
_cell_length_c 12.91255899
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.40128400
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
-3.3048884874828815e-16,
1.6146487814546149,
6.118322280722049
],
[
1.950668000959515,
6.77566508690373,
4.164665229815151
],
[
-1.0414271596196083e-15,
4.810854946467043,
10.697524617285412
],
[
1.9506680009595154,
3.5794589218913013,
-0.414537106748209... | [
[
3.901336001919033,
0,
2.388879323574238e-16
],
[
-1.9506680009595183,
8.390313868358346,
-2.6295714794627982
],
[
0,
0,
12.91255899
]
] | [
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29,
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83,
83,
83,
83,
83,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.540434 | 0 | 0.008786 | 12 | 12 | [
"Bi",
"Cu",
"S"
] |
mp-23175 | mp-23175 | Nd4Bi3 | # generated using pymatgen
data_Nd4Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.39671212
_cell_length_b 8.39671212
_cell_length_c 8.39671212
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nd4Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.69568801
_cell_length_b 9.69568801
_cell_length_c 9.69568801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.979124026958322,
3.4279433684122087,
-0.1948009219697227
],
[
-1.9791240269583221,
3.4279433684122087,
4.0035551380302765
],
[
1.411246053407062,
2.4443498659402207,
5.196257713872101
],
[
5.0940040010191625,
4.080465829371362e-16,
-1.8010023867051883... | [
[
7.916496107833288,
0,
-2.798904041240947
],
[
-3.9582480539166447,
6.855886736824417,
-2.7989040393795266
],
[
0,
0,
8.39671212
]
] | [
60,
60,
60,
60,
60,
60,
60,
60,
83,
83,
83,
83,
83,
83
] | [
1,
1,
1
] | -0.829727 | 0 | 0.014698 | 220 | 220 | [
"Bi",
"Nd"
] |
mp-865300 | mp-865300 | Tm2AgIr | # generated using pymatgen
data_Tm2AgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90858395
_cell_length_b 4.90858395
_cell_length_c 4.90858395
_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_Tm2AgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94178599
_cell_length_b 6.94178599
_cell_length_c 6.94178599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4169861324361879,
1.001960503092927,
2.4542919749999994
],
[
4.250958397308565,
3.005881509278783,
7.362875925
],
[
0,
0,
0
],
[
2.833972264872377,
2.003921006185855,
4.908583950000001
]
] | [
[
4.2509583973085645,
0,
2.4542919750000003
],
[
1.4169861324361883,
4.007842012371712,
2.4542919750000003
],
[
0,
0,
4.90858395
]
] | [
69,
69,
47,
77
] | [
1,
1,
1
] | -0.669804 | 0 | 0.018142 | 225 | 225 | [
"Ag",
"Ir",
"Tm"
] |
mp-755138 | mp-755138 | NdInO3 | # generated using pymatgen
data_NdInO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68167600
_cell_length_b 6.00380800
_cell_length_c 8.24042100
_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_NdInO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68167600
_cell_length_b 6.00380800
_cell_length_c 8.24042100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.5808205693240005,
0.37723726806400004,
2.0601052500000003
],
[
2.7399825693240003,
2.6246667319359998,
6.18031575
],
[
2.941693430676,
3.3791412680640005,
2.0601052500000003
],
[
0.10085543067599965,
5.626570731936,
6.18031575
],
[
2.840838,
... | [
[
5.681676,
0,
3.479023163596169e-16
],
[
-3.676272124947636e-16,
6.003808,
3.676272124947636e-16
],
[
0,
0,
8.240421
]
] | [
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49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.874583 | 2.648 | 0.014723 | 62 | 62 | [
"In",
"Nd",
"O"
] |
mp-17593 | mp-17593 | Ta5Ge3 | # generated using pymatgen
data_Ta5Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67795765
_cell_length_b 7.67795765
_cell_length_c 7.67795765
_cell_angle_alpha 128.49821517
_cell_angle_beta 128.49821517
_cell_angle_gamma 75.81931781
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ta5Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67152000
_cell_length_b 6.67152000
_cell_length_c 12.11551800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.6704812833663066,
2.958259742927901,
3.822039429214058
],
[
2.0839820863550784,
4.003353845894909,
1.8544404045123186
],
[
1.103173393341375,
0.0362332015791279,
4.752953781292445
],
[
2.5268711615503965,
1.8407109249321794,
0.02650960966954048
],
... | [
[
6.008981173205621,
0,
-2.8985038180114295
],
[
-1.3981279253001455,
5.844064770827088,
-2.8985038178067115
],
[
0,
0,
7.677957650000001
]
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.362695 | 0 | 0 | 140 | 140 | [
"Ge",
"Ta"
] |
mp-1101621 | mp-1101621 | As4Pd5Pb | # generated using pymatgen
data_As4Pd5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87209221
_cell_length_b 6.87209221
_cell_length_c 9.73982436
_cell_angle_alpha 74.58495837
_cell_angle_beta 74.58495837
_cell_angle_gamma 59.46138801
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_As4Pd5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.93498199
_cell_length_b 6.81607000
_cell_length_c 9.73982436
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.82452014
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.615000816417702,
1.2527436949286275,
8.752202880877805
],
[
2.214360515735631,
3.304156730674083,
7.312642266782741
],
[
-2.370179283871456,
5.561933630310929,
5.58869232425562
],
[
1.0054827895150429,
4.639201686337591,
3.8376938633510984
],
[
... | [
[
6.816069995661791,
0,
4.173639151475763e-16
],
[
-3.4080349978308964,
5.681042364525573,
-1.8266653904774506
],
[
0,
0,
9.73982436
]
] | [
33,
33,
33,
33,
33,
33,
33,
33,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
82,
82
] | [
1,
1,
1
] | -0.288986 | 0 | 0.053423 | 15 | 15 | [
"As",
"Pb",
"Pd"
] |
mvc-8236 | mvc-8236 | ZnSn2O5 | # generated using pymatgen
data_ZnSn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61429556
_cell_length_b 5.61429556
_cell_length_c 10.44133800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 138.33207747
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_ZnSn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99357200
_cell_length_b 10.49441000
_cell_length_c 10.44133800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9967859997001252,
3.337589684011326,
2.6103345000000013
],
[
-7.81518011595058e-16,
1.9096153154562268,
7.8310035000000005
],
[
-8.385581977070629e-16,
1.43141653503475,
4.523281593642001
],
[
1.9967859997001245,
3.8157884644328024,
5.9180564063580015
... | [
[
3.9935719994002525,
0,
1.1312868751579973e-15
],
[
-1.9967859997001285,
5.247204999467552,
3.437764543510599e-16
],
[
0,
0,
10.441338
]
] | [
30,
30,
50,
50,
50,
50,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.964873 | 0.8381 | 0.063462 | 63 | 63 | [
"O",
"Sn",
"Zn"
] |
mp-9890 | mp-9890 | TaAgO3 | # generated using pymatgen
data_TaAgO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65097476
_cell_length_b 5.65097476
_cell_length_c 5.65097556
_cell_angle_alpha 59.12014481
_cell_angle_beta 59.12014481
_cell_angle_gamma 59.12013817
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TaAgO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57565649
_cell_length_b 5.57565649
_cell_length_c 13.93333512
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.2474266324449075,
2.2812255203857346,
5.576159707400571
],
[
1.6237133162224537,
1.1406127601928673,
2.7880798537002853
],
[
4.871139948667361,
3.4218382805786014,
8.364239561100858
],
[
2.7203251289135824,
3.4218382805786014,
... | [
[
4.849923151647625,
0,
2.7506719274005706
],
[
1.64493011324219,
4.562451040771469,
2.7506719274005706
],
[
0,
0,
5.65097556
]
] | [
73,
73,
47,
47,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.409595 | 1.9511 | 0.022072 | 167 | 167 | [
"Ag",
"O",
"Ta"
] |
mp-865736 | mp-865736 | YbBiPd2 | # generated using pymatgen
data_YbBiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87882324
_cell_length_b 4.87882324
_cell_length_c 4.87882324
_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_YbBiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89969799
_cell_length_b 6.89969799
_cell_length_c 6.89969799
_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
],
[
2.816789910942602,
1.9917712472053637,
4.878823239999998
],
[
4.225184866413903,
2.9876568708080464,
7.31823486
],
[
1.408394955471301,
0.9958856236026818,
2.4394116199999996
]
] | [
[
4.225184866413903,
0,
2.4394116200000004
],
[
1.408394955471301,
3.983542494410729,
2.43941162
],
[
0,
0,
4.878823239999999
]
] | [
70,
83,
46,
46
] | [
1,
1,
1
] | -0.701086 | 0 | 0 | 225 | 225 | [
"Bi",
"Pd",
"Yb"
] |
mp-1018138 | mp-1018138 | VI2 | # generated using pymatgen
data_VI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11268862
_cell_length_b 4.11268862
_cell_length_c 7.14242400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000995
_symmetry_Int_Tables_number 1
_chemical_formula_structural VI... | # generated using pymatgen
data_VI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11268862
_cell_length_b 4.11268862
_cell_length_c 7.14242400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VI... | [
[
0,
0,
0
],
[
5.942040933640347e-16,
2.374462000885198,
1.5722332254240008
],
[
2.0563440007377403,
1.187231000442599,
5.570190774576001
]
] | [
[
4.1126880014754805,
0,
1.1650296923124733e-15
],
[
-2.0563440007377403,
3.561693001327797,
2.5182954771863726e-16
],
[
0,
0,
7.142424
]
] | [
23,
53,
53
] | [
1,
1,
1
] | -0.741164 | 1.1073 | 0 | 164 | 164 | [
"I",
"V"
] |
mp-1111963 | mp-1111963 | Cs2RbScF6 | # generated using pymatgen
data_Cs2RbScF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73098198
_cell_length_b 6.73098198
_cell_length_c 6.73098198
_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_Cs2RbScF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.51904600
_cell_length_b 9.51904600
_cell_length_c 9.51904600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9430671290317596,
1.3739559432390338,
3.36549099
],
[
5.829201387095278,
4.121867829717101,
10.09647297
],
[
3.886134258063519,
2.7479118864780676,
6.730981979999999
],
[
0,
0,
0
],
[
2.777890376483222,
4.315205414225925,
4.811447269925... | [
[
5.82920138709528,
0,
3.365490990000001
],
[
1.9430671290317587,
5.495823772956135,
3.3654909900000005
],
[
0,
0,
6.730981979999999
]
] | [
55,
55,
37,
21,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.558113 | 6.7074 | 0 | 225 | 225 | [
"Cs",
"F",
"Rb",
"Sc"
] |
mp-12754 | mp-12754 | ThPt | # generated using pymatgen
data_ThPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97347620
_cell_length_b 5.97347620
_cell_length_c 4.48305800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 141.55063677
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_ThPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93381400
_cell_length_b 11.28072600
_cell_length_c 4.48305800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
3.2076446965180323,
1.1207645,
3.2248643752822423
],
[
0.5067986502303493,
3.3622935,
1.453311394797708
],
[
2.214383973380781,
1.1207645,
0.3765593802230128
],
[
1.5000593733676004,
3.3622935,
4.301616389856938
]
] | [
[
3.714443346748381,
0,
-1.2953004299200501
],
[
7.209307109614041e-16,
4.483058,
2.745081315045967e-16
],
[
0,
0,
5.9734762
]
] | [
90,
90,
78,
78
] | [
1,
1,
1
] | -1.21499 | 0 | 0 | 63 | 63 | [
"Pt",
"Th"
] |
mp-1184477 | mp-1184477 | GdCdAg2 | # generated using pymatgen
data_GdCdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99027317
_cell_length_b 4.99027317
_cell_length_c 4.99027317
_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_GdCdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05731200
_cell_length_b 7.05731200
_cell_length_c 7.05731200
_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
],
[
2.8811355580292672,
2.037270490600182,
4.990273169999999
],
[
4.3217033370439015,
3.055905735900274,
7.485409755
],
[
1.4405677790146334,
1.0186352453000904,
2.4951365849999987
]
] | [
[
4.3217033370439015,
0,
2.495136585000001
],
[
1.4405677790146336,
4.074540981200365,
2.4951365850000005
],
[
0,
0,
4.99027317
]
] | [
64,
48,
47,
47
] | [
1,
1,
1
] | -0.277583 | 0 | 0 | 225 | 225 | [
"Ag",
"Cd",
"Gd"
] |
mp-1228885 | mp-1228885 | Ba2V2CuF12 | # generated using pymatgen
data_Ba2V2CuF12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47874900
_cell_length_b 7.02532887
_cell_length_c 7.52745851
_cell_angle_alpha 65.49771536
_cell_angle_beta 70.32552621
_cell_angle_gamma 73.17286803
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba2V2CuF12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47874900
_cell_length_b 7.02532887
_cell_length_c 7.52745851
_cell_angle_alpha 65.49771536
_cell_angle_beta 70.32552621
_cell_angle_gamma 73.17286803
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.7653811390033045,
1.2766319441699463,
2.9138015608095102
],
[
4.585441302969369,
5.013821546773415,
9.36057966826359
],
[
3.1060444699375744,
3.149582282921284,
6.17046366651165
],
[
1.1509695055686322,
4.907677350891752,
3.6027439254034865
],
[
... | [
[
5.158903100565874,
0,
1.84456211713588
],
[
1.1180570903629976,
6.294129262432622,
2.9136113162420756
],
[
0,
0,
7.52745851
]
] | [
56,
56,
23,
23,
29,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.328123 | 0.7418 | 0 | 1 | 1 | [
"Ba",
"Cu",
"F",
"V"
] |
mp-29529 | mp-29529 | NaSnP | # generated using pymatgen
data_NaSnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92585821
_cell_length_b 3.92585821
_cell_length_c 11.76502700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000351
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaSnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92585821
_cell_length_b 3.92585821
_cell_length_c 11.76502700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9629290008594815,
1.1332976672137525,
8.499702581285002
],
[
2.7438051194442167e-18,
2.266595334427505,
2.617189081285
],
[
0,
0,
11.763168125734
],
[
0,
0,
5.880654625734
],
[
1.9629290008594815,
1.1332976672137525,
4.551924241381001
... | [
[
3.9258580017189626,
0,
1.1121050607690675e-15
],
[
-1.9629290008594813,
3.399893001641257,
2.4038948453914287e-16
],
[
0,
0,
11.765027
]
] | [
11,
11,
50,
50,
15,
15
] | [
1,
1,
1
] | -0.299382 | 0.6499 | 0 | 186 | 186 | [
"Na",
"Sn",
"P"
] |
mp-1211922 | mp-1211922 | K(InGa)2 | # generated using pymatgen
data_K(InGa)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79604950
_cell_length_b 6.79604950
_cell_length_c 6.79604950
_cell_angle_alpha 138.70931237
_cell_angle_beta 138.70931237
_cell_angle_gamma 59.81837201
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_K(InGa)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79233400
_cell_length_b 4.79233400
_cell_length_c 11.78185999
_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
],
[
3.2042705442700266,
1.109788671315151,
1.7083324407910365
],
[
0.6436633913687366,
3.329366013945454,
1.7083324408938236
],
[
1.5030414745998575,
1.7339782116096447,
3.989188364629923
],
[
2.3448924610389064,
2.7051764736509596,
... | [
[
4.484574120720672,
0,
-1.6896923092603566
],
[
-0.6366401850819086,
4.439154685260605,
-1.689692309054782
],
[
0,
0,
6.7960495
]
] | [
19,
49,
49,
31,
31
] | [
1,
1,
1
] | -0.135859 | 0 | 0.002323 | 139 | 139 | [
"Ga",
"In",
"K"
] |
mp-621852 | mp-621852 | La2Ge5Ru3 | # generated using pymatgen
data_La2Ge5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.59982008
_cell_length_b 8.59982008
_cell_length_c 8.59982008
_cell_angle_alpha 139.51197858
_cell_angle_beta 108.36665829
_cell_angle_gamma 85.66208798
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_La2Ge5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95140200
_cell_length_b 10.06512000
_cell_length_c 12.61355601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.99808828394438,
7.110589944532096,
6.358858003487045
],
[
5.624689670690002,
2.890223838590688,
10.548162347613463
],
[
2.1313319708348413,
4.977135243396874,
2.8207316862527376
],
[
3.757933357580463,
0.7567691374554656,
7.0100360303791565
],
[
... | [
[
5.583769090468535,
0,
2.05929807067386
],
[
2.172252551056309,
7.867359081987562,
2.7097758833284344
],
[
0,
0,
8.599820079863907
]
] | [
57,
57,
57,
57,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.659005 | 0 | 0.001681 | 72 | 72 | [
"Ge",
"La",
"Ru"
] |
mp-1218844 | mp-1218844 | Sr2FeCu(PbO3)2 | # generated using pymatgen
data_Sr2FeCu(PbO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92305300
_cell_length_b 3.97830600
_cell_length_c 12.27314287
_cell_angle_alpha 88.43025460
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Sr2FeCu(PbO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97830600
_cell_length_b 3.92305300
_cell_length_c 12.27314287
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.56974540
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
3.9230529999999995,
3.908678281829234,
4.276374238235012
],
[
3.923053,
0.06813473745947324,
7.887787719437013
],
[
1.9615264999999997,
1.9884065096443535,
6.082080978836013
],
[
0,
0,
0
],
[
1.9615264999999997,
1.9801546226293292,
1.7035... | [
[
3.923053,
0,
2.4021771496677106e-16
],
[
-2.4350956674397185e-16,
3.976813019288707,
-0.10898091232797318
],
[
0,
0,
12.27314287
]
] | [
38,
38,
26,
29,
82,
82,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.986785 | 0.4278 | 0.004735 | 10 | 10 | [
"Cu",
"Fe",
"O",
"Pb",
"Sr"
] |
mp-567859 | mp-567859 | Sm(FeSi)2 | # generated using pymatgen
data_Sm(FeSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58488675
_cell_length_b 5.58488675
_cell_length_c 5.58488675
_cell_angle_alpha 138.00552546
_cell_angle_beta 138.00552546
_cell_angle_gamma 60.89453619
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(FeSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00238600
_cell_length_b 4.00238600
_cell_length_c 9.62941601
_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
],
[
2.664854292263101,
0.9239634392195987,
1.358296682838988
],
[
0.5213261014665744,
2.7718903176587966,
1.3582966832550318
],
[
1.153948511738258,
1.3385384426899187,
3.00657195808612
],
[
2.032231881991418,
2.357315314188476,
... | [
[
3.7366183876613643,
0,
-1.4341466923690338
],
[
-0.5504379939316888,
3.6958537568783947,
-1.4341466915369459
],
[
0,
0,
5.58488675
]
] | [
62,
26,
26,
14,
14
] | [
1,
1,
1
] | -0.618953 | 0 | 0 | 139 | 139 | [
"Fe",
"Si",
"Sm"
] |
mp-1066254 | mp-1066254 | YAu | # generated using pymatgen
data_YAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84125707
_cell_length_b 5.84125707
_cell_length_c 4.70094100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.71920985
_symmetry_Int_Tables_number 1
_chemical_formula_structural YA... | # generated using pymatgen
data_YAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73405200
_cell_length_b 11.06968800
_cell_length_c 4.70094100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YA... | [
[
3.046284577370766,
3.52570575,
3.189527673858973
],
[
0.4918913733767188,
1.17523525,
1.4582239437919873
],
[
2.0770048138394435,
3.52570575,
0.3160742328856804
],
[
1.4611711369080407,
1.17523525,
4.33167738476528
]
] | [
[
3.5381759507474837,
0,
-1.1935054523490407
],
[
7.559689696893537e-16,
4.700941,
2.878496174315279e-16
],
[
0,
0,
5.84125707
]
] | [
39,
39,
79,
79
] | [
1,
1,
1
] | -0.885677 | 0 | 0 | 63 | 63 | [
"Au",
"Y"
] |
mp-1079229 | mp-1079229 | Mg3Pd | # generated using pymatgen
data_Mg3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68210399
_cell_length_b 4.68210399
_cell_length_c 8.32967800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999991
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68210399
_cell_length_b 4.68210399
_cell_length_c 8.32967800
_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,
6.247258499999999
],
[
0,
0,
2.0824195
],
[
2.341051998184649,
1.3516069988872748,
0.6357126952820011
],
[
6.408908960431598e-16,
2.70321399777455,
7.693965304718
],
[
6.408908960431598e-16,
2.70321399777455,
4.800551695282
],
[... | [
[
4.682103996369296,
0,
1.3263321157131652e-15
],
[
-2.341051998184647,
4.0548209966618245,
2.8669618323142754e-16
],
[
0,
0,
8.329678
]
] | [
12,
12,
12,
12,
12,
12,
46,
46
] | [
1,
1,
1
] | -0.411245 | 0 | 0.010129 | 194 | 194 | [
"Mg",
"Pd"
] |
mp-20132 | mp-20132 | InHg | # generated using pymatgen
data_InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00097854
_cell_length_b 5.00097854
_cell_length_c 5.00097792
_cell_angle_alpha 44.19091022
_cell_angle_beta 44.19091022
_cell_angle_gamma 44.19091236
_symmetry_Int_Tables_number 1
_chemical_formula_structural In... | # generated using pymatgen
data_InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76224379
_cell_length_b 3.76224379
_cell_length_c 13.51386788
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4708264331509997,
1.58371925572369,
3.9156592386040683
],
[
0,
0,
0
]
] | [
[
3.4859388859311737,
0,
1.415170278604068
],
[
1.4557139803708257,
3.16743851144738,
1.4151702786040679
],
[
0,
0,
5.00097792
]
] | [
49,
80
] | [
1,
1,
1
] | 0.004878 | 0 | 0.004878 | 166 | 166 | [
"Hg",
"In"
] |
mp-1289745 | mp-1289745 | Ba2FeMoO6 | # generated using pymatgen
data_Ba2FeMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80056409
_cell_length_b 5.80076706
_cell_length_c 10.03382888
_cell_angle_alpha 90.04039950
_cell_angle_beta 106.73852204
_cell_angle_gamma 120.03941138
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ba2FeMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.04904192
_cell_length_b 5.79720976
_cell_length_c 10.03989412
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.55475689
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
3.0389164630122623,
1.8584244620244754,
10.04387657070774
],
[
7.053503021898887,
4.331251476994199,
6.678110994626555
],
[
5.0608718035499525,
3.089594976670813,
3.345207347018083
],
[
0.994369681502315,
0.6178665406630078,
6.691797193454951
],
[
... | [
[
5.550053471989062,
0,
1.6746783219362735
],
[
2.523389264162023,
4.9485538825146,
1.6705881765291692
],
[
0,
0,
10.03382888
]
] | [
56,
56,
56,
56,
26,
26,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.501113 | 0.9037 | 0 | 15 | 15 | [
"Ba",
"Fe",
"Mo",
"O"
] |
mp-1101773 | mp-1101773 | NdAlAu | # generated using pymatgen
data_NdAlAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62199800
_cell_length_b 7.55841000
_cell_length_c 7.75019400
_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_NdAlAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62199800
_cell_length_b 7.55841000
_cell_length_c 7.75019400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1554995,
0.06495697554,
2.37826328181
],
[
1.1554994999999997,
3.84416197554,
1.4968337181900002
],
[
3.4664984999999993,
7.49345302446,
5.37193071819
],
[
3.4664984999999993,
3.7142480244600002,
6.253360281810001
],
[
1.1554995,
1.28260170... | [
[
4.621998,
0,
2.8301575281827336e-16
],
[
-4.628191306571673e-16,
7.55841,
4.628191306571673e-16
],
[
0,
0,
7.750194
]
] | [
60,
60,
60,
60,
13,
13,
13,
13,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.739337 | 0 | 0 | 62 | 62 | [
"Al",
"Au",
"Nd"
] |
mp-2954 | mp-2954 | Dy(SiAu)2 | # generated using pymatgen
data_Dy(SiAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95799492
_cell_length_b 5.95799492
_cell_length_c 5.95799492
_cell_angle_alpha 138.02798439
_cell_angle_beta 138.02798439
_cell_angle_gamma 60.86014189
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy(SiAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26759200
_cell_length_b 4.26759200
_cell_length_c 10.27453799
_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
],
[
2.078683284939907,
2.410772039013635,
-0.5388846140459279
],
[
1.31956270600638,
1.5303749726631948,
3.4400891714865263
],
[
2.8418183602719456,
0.9852867529192074,
1.450602278847273
],
[
0.5564276306743404,
2.955860258757623,
... | [
[
3.984513725070748,
0,
-1.5283951810257528
],
[
-0.5862677341244621,
3.94114701167683,
-1.5283951815336492
],
[
0,
0,
5.95799492
]
] | [
66,
14,
14,
79,
79
] | [
1,
1,
1
] | -0.523383 | 0 | 0 | 139 | 139 | [
"Au",
"Dy",
"Si"
] |
mp-561410 | mp-561410 | LiFeMoClO4 | # generated using pymatgen
data_LiFeMoClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11029065
_cell_length_b 7.00973100
_cell_length_c 7.18900595
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.43219081
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_LiFeMoClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11029065
_cell_length_b 7.00973100
_cell_length_c 7.18900595
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.43219081
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.5543471107118054,
3.5048655,
3.53064007600844
],
[
2.5543471107118054,
0,
3.53064007600844
],
[
0.9336087602709433,
1.75243275,
1.7677415585392828
],
[
4.175085461152667,
5.25729825,
5.293538593477598
],
[
0.0029272817888754076,
5.25729825,... | [
[
5.108694221423611,
0,
-0.12772579798312064
],
[
-4.292222316016988e-16,
7.009731,
4.292222316016988e-16
],
[
0,
0,
7.18900595
]
] | [
3,
3,
26,
26,
42,
42,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.956752 | 2.6717 | 0 | 11 | 11 | [
"Cl",
"Fe",
"Li",
"Mo",
"O"
] |
mp-2932 | mp-2932 | Y2Si4Mo3 | # generated using pymatgen
data_Y2Si4Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93827100
_cell_length_b 6.75995000
_cell_length_c 6.87224581
_cell_angle_alpha 71.11938720
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y2Si4Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75995000
_cell_length_b 6.93827100
_cell_length_c 6.87224581
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.88061280
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.003706276024325134,
1.2407974938487012,
5.7598681150890005
],
[
3.3762687239756746,
1.2407974938487012,
4.647538384911
],
[
4.539816277259392,
5.261686503283142,
1.1784028849110002
],
[
1.1598412772593916,
5.261686503283143,
2.2907326150890004
],
... | [
[
6.759950000000001,
0,
4.1392755649480755e-16
],
[
-2.2238399987649347,
6.502483997131844,
4.2080369170851547e-16
],
[
0,
0,
6.938271
]
] | [
39,
39,
39,
39,
14,
14,
14,
14,
14,
14,
14,
14,
42,
42,
42,
42,
42,
42
] | [
1,
1,
1
] | -0.642353 | 0 | 0 | 14 | 14 | [
"Y",
"Si",
"Mo"
] |
mp-755593 | mp-755593 | Li4CoO3 | # generated using pymatgen
data_Li4CoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61416066
_cell_length_b 5.61416066
_cell_length_c 6.95633121
_cell_angle_alpha 70.48403099
_cell_angle_beta 70.48403099
_cell_angle_gamma 53.98686028
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li4CoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.00509200
_cell_length_b 5.09640400
_cell_length_c 6.95633121
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.01894468
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.4752000054499455,
4.4244574958139,
-1.155834440691881
],
[
3.3518157237616855,
0.41504738182512974,
1.7879854422174815
],
[
1.791633181610937,
2.6674289900241845,
0.21023603797433177
],
[
-0.7833453250294053,
3.6829930524503602,
1.2245700933935426
]... | [
[
5.096404000048177,
0,
3.1206474229103836e-16
],
[
-2.5482020000240886,
4.637660001398176,
-1.8755202464373277
],
[
0,
0,
6.95633121
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
27,
27,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.850808 | 2.4111 | 0.042559 | 9 | 9 | [
"Co",
"Li",
"O"
] |
mp-1205824 | mp-1205824 | ScTl3F6 | # generated using pymatgen
data_ScTl3F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61053906
_cell_length_b 6.61053906
_cell_length_c 6.61053906
_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_ScTl3F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.34871399
_cell_length_b 9.34871399
_cell_length_c 9.34871399
_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
],
[
1.9082982528897676,
1.3493706351447958,
3.3052695300000003
],
[
5.724894758669304,
4.0481119054343875,
9.91580859
],
[
3.8165965057795366,
2.6987412702895917,
6.61053906
],
[
5.973889514706361,
4.22417778590808,
6.61053906
... | [
[
5.724894758669304,
0,
3.3052695299999995
],
[
1.9082982528897665,
5.397482540579183,
3.3052695300000003
],
[
0,
0,
6.610539059999999
]
] | [
21,
81,
81,
81,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.901547 | 3.3232 | 0.027321 | 225 | 225 | [
"F",
"Sc",
"Tl"
] |
mp-13037 | mp-13037 | TmGe2 | # generated using pymatgen
data_TmGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14246142
_cell_length_b 8.14246142
_cell_length_c 3.90018500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.23533235
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04503200
_cell_length_b 15.77455001
_cell_length_c 3.90018500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9251387500000003,
3.5151257833013227,
5.56559513406695
],
[
0.9750462500000006,
0.40313408478826596,
1.5721158142908624
],
[
2.9251387500000003,
2.171237095484088,
0.32478633499521997
],
[
0.9750462500000008,
1.747022772605501,
6.812924613362593
],
... | [
[
3.900185,
0,
2.38817453816626e-16
],
[
6.301042441193856e-16,
3.918259868089588,
-1.004750471642187
],
[
0,
0,
8.14246142
]
] | [
69,
69,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.599243 | 0 | 0 | 63 | 63 | [
"Ge",
"Tm"
] |
mvc-15303 | mvc-15303 | ReSbO6 | # generated using pymatgen
data_ReSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38235000
_cell_length_b 5.21642900
_cell_length_c 5.36350923
_cell_angle_alpha 89.98314299
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ReSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21642900
_cell_length_b 7.38235000
_cell_length_c 5.36350923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.01685701
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6097924997792012,
5.363508997868083,
3.6911750000000003
],
[
2.6097924997792012,
5.363508997868083,
4.88127297481575e-16
],
[
0.0007889998896006477,
2.6817544989340414,
3.691175
],
[
0.0007889998896006476,
2.681754498934041,
1.642101102679196e-16
],
... | [
[
5.216429,
0,
3.194141538914714e-16
],
[
0.0015779997792012954,
5.363508997868083,
3.2842022053583927e-16
],
[
0,
0,
7.38235
]
] | [
75,
75,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.859534 | 1.6831 | 0.04523 | 11 | 11 | [
"O",
"Re",
"Sb"
] |
mp-1216923 | mp-1216923 | TmMn6InSn5 | # generated using pymatgen
data_TmMn6InSn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41244896
_cell_length_b 5.41244896
_cell_length_c 9.02801900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998733
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TmMn6InSn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41244896
_cell_length_b 5.41244896
_cell_length_c 9.02801900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.7062249982608697,
1.562439332276192,
9.028019000000002
],
[
1.3504468675071488,
3.904559327948188,
2.2201975165370014
],
[
4.782497782688618e-16,
1.5655173377607756,
2.2201975165370005
],
[
-1.3504468675071453,
3.904559327948188,
2.2201975165370005
]... | [
[
5.412449996521737,
0,
1.5332222993434286e-15
],
[
-2.706224998260866,
4.687317996828576,
3.3141691472062105e-16
],
[
0,
0,
9.028019
]
] | [
69,
25,
25,
25,
25,
25,
25,
49,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.105096 | 0 | 0.026926 | 187 | 187 | [
"In",
"Mn",
"Sn",
"Tm"
] |
mp-1018100 | mp-1018100 | AlSb | # generated using pymatgen
data_AlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40042402
_cell_length_b 4.40042402
_cell_length_c 7.22063100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000037
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40042402
_cell_length_b 4.40042402
_cell_length_c 7.22063100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
-9.029970843432865e-16,
2.5405859972316116,
3.610885929849001
],
[
2.2002119976952086,
1.2702929986158056,
0.0005704298490012909
],
[
-9.029970843432865e-16,
2.5405859972316116,
0.9012863820510011
],
[
2.2002119976952086,
1.2702929986158056,
4.5116018820... | [
[
4.400423995390417,
0,
1.2465386656013972e-15
],
[
-2.2002119976952086,
3.810878995847417,
2.694482595492064e-16
],
[
0,
0,
7.220631
]
] | [
13,
13,
51,
51
] | [
1,
1,
1
] | -0.247204 | 0.9121 | 0.008293 | 186 | 186 | [
"Al",
"Sb"
] |
mp-20977 | mp-20977 | CuTeO3 | # generated using pymatgen
data_CuTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82166500
_cell_length_b 6.06974100
_cell_length_c 7.20050400
_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_CuTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82166500
_cell_length_b 6.06974100
_cell_length_c 7.20050400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.8583222218258636e-16,
3.0348705,
1.8583222218258636e-16
],
[
2.9108325,
0,
1.7823708519895441e-16
],
[
2.9108325,
0,
3.600252
],
[
-1.8583222218258636e-16,
3.0348705,
3.600252
],
[
5.7813441482100005,
6.023677735551,
1.8001260000000006... | [
[
5.821665,
0,
3.5647417039790883e-16
],
[
-3.716644443651727e-16,
6.069741,
3.716644443651727e-16
],
[
0,
0,
7.200504
]
] | [
29,
29,
29,
29,
52,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.214755 | 0 | 0.059186 | 62 | 62 | [
"Cu",
"O",
"Te"
] |
mp-1225377 | mp-1225377 | Eu2FeP3Pt7 | # generated using pymatgen
data_Eu2FeP3Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.79781898
_cell_length_b 13.79781898
_cell_length_c 13.79781898
_cell_angle_alpha 162.97958171
_cell_angle_beta 162.97958171
_cell_angle_gamma 24.16070926
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Eu2FeP3Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08375800
_cell_length_b 4.08375800
_cell_length_c 26.98453401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.6248887721344127,
2.684333188376998,
3.744339516579795
],
[
1.3234761175690375,
1.3534481552626285,
8.844804422686328
],
[
1.9741824448517251,
2.0188906718198134,
13.193481459633063
],
[
3.475492917053006,
3.554200498799971,
9.428935712203137
],
[
... | [
[
4.038793826245139,
0,
-0.6043375206533854
],
[
-0.09042893654168893,
4.037781343639628,
-0.6043375200804857
],
[
0,
0,
13.797818979999999
]
] | [
63,
63,
26,
15,
15,
15,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.77035 | 0 | 0 | 119 | 119 | [
"Eu",
"Fe",
"P",
"Pt"
] |
mp-10569 | mp-10569 | YbSiIr | # generated using pymatgen
data_YbSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29490900
_cell_length_b 6.91845900
_cell_length_c 7.19020800
_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_YbSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29490900
_cell_length_b 6.91845900
_cell_length_c 7.19020800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0737272499999995,
5.7240285644040005,
3.644730815616
],
[
3.2211817499999995,
2.264799064404,
7.140581184384001
],
[
1.0737272499999997,
4.653659935596,
0.04962681561600035
],
[
3.2211817499999995,
1.194430435596,
3.545477184384
],
[
3.22118174... | [
[
4.294909,
0,
2.62987327973958e-16
],
[
-4.236334334691099e-16,
6.918459,
4.236334334691099e-16
],
[
0,
0,
7.190208
]
] | [
70,
70,
70,
70,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.880951 | 0 | 0 | 62 | 62 | [
"Ir",
"Si",
"Yb"
] |
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