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-1079311 | mp-1079311 | Nd(PRh)2 | # generated using pymatgen
data_Nd(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17510600
_cell_length_b 4.17510600
_cell_length_c 9.61380000
_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_Nd(PRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17510600
_cell_length_b 4.17510600
_cell_length_c 9.61380000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2782575497502274e-16,
2.087553,
2.4759188244
],
[
2.087553,
0,
7.1378811756
],
[
0,
0,
4.8069
],
[
2.087553,
2.087553,
4.8069
],
[
-1.2782575497502274e-16,
2.087553,
8.283971115
],
[
2.087553,
0,
1.3298288850000002
],... | [
[
4.175106,
0,
2.556515099500455e-16
],
[
-2.556515099500455e-16,
4.175106,
2.556515099500455e-16
],
[
0,
0,
9.6138
]
] | [
60,
60,
15,
15,
15,
15,
45,
45,
45,
45
] | [
1,
1,
1
] | -1.099491 | 0 | 0 | 129 | 129 | [
"Nd",
"P",
"Rh"
] |
mp-22607 | mp-22607 | Zn(InSe2)2 | # generated using pymatgen
data_Zn(InSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15962968
_cell_length_b 7.15962968
_cell_length_c 7.15962968
_cell_angle_alpha 131.99913698
_cell_angle_beta 131.99913698
_cell_angle_gamma 70.23038994
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Zn(InSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82426600
_cell_length_b 5.82426600
_cell_length_c 11.71311400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
2.132976789267814,
2.607560025513044,
4.790647205967887
],
[
0.5391082295125549,
3.911340038269568,
1.2108323660629101
],
[
1.7178933307187558,
1.8198787232461646,
0.11646453396958355
],
[
3.66340234283217,
4.758744895360798,
... | [
[
5.320713908778332,
0,
-2.3689824742221597
],
[
-1.0547603302427042,
5.215120051026091,
-2.368982473842066
],
[
0,
0,
7.15962968
]
] | [
30,
49,
49,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.863309 | 1.4557 | 0 | 82 | 82 | [
"Zn",
"In",
"Se"
] |
mp-1106047 | mp-1106047 | Mg2CoB2Ir5 | # generated using pymatgen
data_Mg2CoB2Ir5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.44688900
_cell_length_b 9.44688900
_cell_length_c 2.89657500
_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_Mg2CoB2Ir5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.44688900
_cell_length_b 9.44688900
_cell_length_c 2.89657500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-4.763346521167688e-16,
7.77913521594,
3.055690715940001
],
[
-1.0212046667074816e-16,
1.6677537840599999,
6.391198284060001
],
[
-1.871070927230103e-16,
3.0556907159400004,
1.66775378406
],
[
-3.9134802606450656e-16,
6.39119828406,
7.77913521594
],
... | [
[
2.896575,
0,
1.7736406511201223e-16
],
[
-5.784551187875171e-16,
9.446889,
5.784551187875171e-16
],
[
0,
0,
9.446889
]
] | [
12,
12,
12,
12,
27,
27,
5,
5,
5,
5,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.382918 | 0 | 0 | 127 | 127 | [
"B",
"Co",
"Ir",
"Mg"
] |
mp-561320 | mp-561320 | PbS | # generated using pymatgen
data_PbS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25427879
_cell_length_b 4.25427879
_cell_length_c 22.43860284
_cell_angle_alpha 86.15215924
_cell_angle_beta 86.15215924
_cell_angle_gamma 90.17183620
_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 6.00743000
_cell_length_b 6.02547400
_cell_length_c 22.43860284
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.45398420
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb... | [
[
3.0753850501399285,
3.0827492209900034,
20.619110034612437
],
[
1.1532147158363206,
1.1460376526668357,
1.248508859552966
],
[
1.0468138797767914,
0.8969961039506412,
21.00670993892325
],
[
3.3236176476789487,
3.191023910646258,
0.8609089552421515
]
] | [
[
4.244688723150809,
0,
-0.28549197291729905
],
[
-0.03198964735610453,
4.244568178143175,
-0.28549197291729905
],
[
0,
0,
22.43860284
]
] | [
82,
82,
16,
16
] | [
1,
1,
1
] | -0.72605 | 2.0532 | 0.058474 | 5 | 5 | [
"Pb",
"S"
] |
mp-1228115 | mp-1228115 | Ba3SrCa2(WO6)2 | # generated using pymatgen
data_Ba3SrCa2(WO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98435900
_cell_length_b 6.01234375
_cell_length_c 10.37892276
_cell_angle_alpha 73.65523655
_cell_angle_beta 73.25046008
_cell_angle_gamma 60.15636267
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Ba3SrCa2(WO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98435900
_cell_length_b 6.01234375
_cell_length_c 10.37892276
_cell_angle_alpha 73.65523655
_cell_angle_beta 73.25046008
_cell_angle_gamma 60.15636267
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
5.21430094617495,
3.2123896499320828,
3.4390688600331036
],
[
1.0449418779509123,
0.6445452305439473,
6.907613759185628
],
[
3.128356309132672,
1.9287348522504322,
10.361171636295976
],
[
7.304060070596927,
4.499387097768945,
6.88366536112112
],
[
... | [
[
5.730464639935534,
0,
1.7246239159102228
],
[
2.615301427019371,
5.142538700325105,
1.691972674026708
],
[
0,
0,
10.37892276
]
] | [
56,
56,
56,
38,
20,
20,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.024466 | 3.328 | 0.012511 | 1 | 1 | [
"Ba",
"Ca",
"O",
"Sr",
"W"
] |
mp-1219418 | mp-1219418 | Sc3Ga5Co | # generated using pymatgen
data_Sc3Ga5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33733500
_cell_length_b 7.91322360
_cell_length_c 7.91322360
_cell_angle_alpha 82.30212995
_cell_angle_beta 113.60486406
_cell_angle_gamma 66.39513594
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sc3Ga5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33733500
_cell_length_b 11.91695400
_cell_length_c 4.13221600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.5529596194129542,
3.1864498625517386,
10.523495524120076
],
[
6.215001662982966,
3.6047034103214526,
4.431732414031408
],
[
0.541248521043789,
1.7011771037014618,
6.870145555219162
],
[
1.4881025142725899,
5.089976169171729,
4.7033832436444225
],
[... | [
[
5.8070818953693655,
0,
2.5376396045731857
],
[
1.885881270009383,
6.791153272873191,
3.59760987370344
],
[
0,
0,
7.913224001089559
]
] | [
21,
21,
21,
21,
21,
21,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
27,
27
] | [
1,
1,
1
] | -0.575764 | 0 | 0 | 38 | 38 | [
"Co",
"Ga",
"Sc"
] |
mp-9918 | mp-9918 | LiGe | # generated using pymatgen
data_LiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54633837
_cell_length_b 7.54633837
_cell_length_c 7.54633837
_cell_angle_alpha 98.44087475
_cell_angle_beta 98.44087475
_cell_angle_gamma 134.94458262
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.85779000
_cell_length_b 9.85779000
_cell_length_c 5.78246000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | [
[
1.0222304739981989,
0.3936665317157494,
2.056726789270172
],
[
4.119831568862156,
1.9771155013785526,
5.908180991013306
],
[
4.421482629124949,
4.9933946571976415,
5.180925883986802
],
[
4.848470891071646,
6.576843626860445,
7.924662606405958
],
[
... | [
[
5.341225665834519,
0,
2.215434958647956
],
[
2.670612831898409,
6.970510158576195,
1.1077174789013797
],
[
0,
0,
7.54633837
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.280801 | 0 | 0 | 88 | 88 | [
"Li",
"Ge"
] |
mp-1185866 | mp-1185866 | MgGa3 | # generated using pymatgen
data_MgGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07054789
_cell_length_b 5.07054789
_cell_length_c 5.07054789
_cell_angle_alpha 129.68229093
_cell_angle_beta 129.68229093
_cell_angle_gamma 73.91518800
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31127800
_cell_length_b 4.31127800
_cell_length_c 8.10355401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
0,
0,
0
],
[
1.520705537237205,
1.9030687636419479,
-1.832851048119302
],
[
2.711491863338424,
0.9515343818209738,
0.7024228969863395
],
[
0.32991921113598627,
2.8546031454629217,
0.7024228967750563
]
] | [
[
3.9022781894396426,
0,
-1.832851047908019
],
[
-0.8608671149652325,
3.8061375272838958,
-1.8328510483305855
],
[
0,
0,
5.07054789
]
] | [
12,
31,
31,
31
] | [
1,
1,
1
] | -0.073419 | 0 | 0.035345 | 139 | 139 | [
"Ga",
"Mg"
] |
mp-1120721 | mp-1120721 | RbGeBr3 | # generated using pymatgen
data_RbGeBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65949300
_cell_length_b 6.24474800
_cell_length_c 8.76131688
_cell_angle_alpha 72.67457636
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbGeBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24474800
_cell_length_b 7.65949300
_cell_length_c 8.76131688
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.32542364
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.008783991448687,
5.744619749999999,
1.3717220957839429
],
[
1.9526320013667233,
1.9148732499999999,
5.529918214457579
],
[
5.533636704002963,
5.744619749999999,
5.932773136960171
],
[
0.42777928881244814,
1.91487325,
0.9688671732813516
],
[
1.9... | [
[
5.961415992815411,
0,
-1.8596765697584792
],
[
-4.6900867927707795e-16,
7.659493,
4.6900867927707795e-16
],
[
0,
0,
8.76131688
]
] | [
37,
37,
32,
32,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.409847 | 3.1453 | 0.006988 | 11 | 11 | [
"Br",
"Ge",
"Rb"
] |
mp-1188299 | mp-1188299 | TmSiPd2 | # generated using pymatgen
data_TmSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50889100
_cell_length_b 6.98463500
_cell_length_c 7.28515700
_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_TmSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50889100
_cell_length_b 6.98463500
_cell_length_c 7.28515700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9649002240979998,
5.23847625,
0.20329959124200045
],
[
0.7895452759019997,
5.23847625,
3.845878091242
],
[
3.543990775902,
1.74615875,
7.081857408758
],
[
4.719345724098001,
1.74615875,
3.4392789087580002
],
[
3.542150806308,
5.23847625,
... | [
[
5.508891,
0,
3.373222865000831e-16
],
[
-4.276855447981287e-16,
6.984635,
4.276855447981287e-16
],
[
0,
0,
7.285157
]
] | [
69,
69,
69,
69,
14,
14,
14,
14,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.994607 | 0 | 0 | 62 | 62 | [
"Pd",
"Si",
"Tm"
] |
mp-1229012 | mp-1229012 | AgPd | # generated using pymatgen
data_AgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94659920
_cell_length_b 4.94659920
_cell_length_c 4.94659972
_cell_angle_alpha 33.74332763
_cell_angle_beta 33.74332763
_cell_angle_gamma 33.74331977
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag... | # generated using pymatgen
data_AgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87129240
_cell_length_b 2.87129240
_cell_length_c 13.98165390
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.9975946502146946,
1.2240976193238775,
3.306632649647044
]
] | [
[
2.747704279049223,
0,
0.8333327896470446
],
[
1.2474850213801665,
2.4481952386477555,
0.8333327896470442
],
[
0,
0,
4.94659972
]
] | [
47,
46
] | [
1,
1,
1
] | -0.058882 | 0 | 0 | 166 | 166 | [
"Ag",
"Pd"
] |
mp-1215950 | mp-1215950 | YB4W3 | # generated using pymatgen
data_YB4W3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12864900
_cell_length_b 3.23020500
_cell_length_c 9.45171800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YB4W3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12864900
_cell_length_b 3.23020500
_cell_length_c 9.45171800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
0.78216225,
0,
1.4200544674739999
],
[
0.78216225,
0,
4.367355336259999
],
[
0.7821622499999998,
1.6151025,
8.683359488626
],
[
2.34648675,
1.6151025,
0.04605822181400024
],
[
2.34648675,
0,
5.424000698352001
],
[
0.78216224999999... | [
[
3.128649,
0,
1.9157449917527837e-16
],
[
-1.9779301069198882e-16,
3.230205,
1.9779301069198882e-16
],
[
0,
0,
9.451718
]
] | [
39,
5,
5,
5,
5,
74,
74,
74
] | [
1,
1,
1
] | -0.369052 | 0 | 0.070786 | 25 | 25 | [
"B",
"W",
"Y"
] |
mp-1106111 | mp-1106111 | Ni5Ge3 | # generated using pymatgen
data_Ni5Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36501785
_cell_length_b 6.39788701
_cell_length_c 6.39788701
_cell_angle_alpha 116.62374979
_cell_angle_beta 116.45700706
_cell_angle_gamma 63.54299294
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ni5Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.88818001
_cell_length_b 6.72156000
_cell_length_c 6.36501785
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.57281439
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4491699858518676,
0.573412196681785,
6.217865035226962
],
[
3.876166642533571,
1.3686399344302311,
8.153889501317176
],
[
1.8618241554926145,
4.012290599614185,
5.052671684584265
],
[
6.1591454747703995,
3.1823206686866228,
5.9117688121652705
],
[
... | [
[
5.69840267126627,
0,
2.8357819427671194
],
[
1.7570871240409058,
5.442925454976599,
2.867083103578299
],
[
0,
0,
6.39788701
]
] | [
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.31032 | 0 | 0.000705 | 5 | 5 | [
"Ge",
"Ni"
] |
mp-1183069 | mp-1183069 | Ac | # generated using pymatgen
data_Ac
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.93634478
_cell_length_b 9.93634478
_cell_length_c 9.93634438
_cell_angle_alpha 23.29943661
_cell_angle_beta 23.29943661
_cell_angle_gamma 23.29943736
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac
_... | # generated using pymatgen
data_Ac
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01284990
_cell_length_b 4.01284990
_cell_length_c 28.98740438
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac... | [
[
0,
0,
0
],
[
4.5180467411058345,
2.6824317638653046,
7.895382465240893
],
[
1.2937008185203478,
0.7680894792354771,
3.6615735688051663
]
] | [
[
3.9301867534013297,
0,
0.8103058270230291
],
[
1.8815608062248534,
3.4505212431007815,
0.8103058270230291
],
[
0,
0,
9.93634438
]
] | [
89,
89,
89
] | [
1,
1,
1
] | 0.045091 | 0 | 0.045091 | 166 | 166 | [
"Ac"
] |
mp-1110642 | mp-1110642 | Cs2NaGaBr6 | # generated using pymatgen
data_Cs2NaGaBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88463235
_cell_length_b 7.88463235
_cell_length_c 7.88463235
_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_Cs2NaGaBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.15055400
_cell_length_b 11.15055400
_cell_length_c 11.15055400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2760973048668656,
1.6094438389117856,
3.942316175000001
],
[
6.828291914600596,
4.828331516735357,
11.826948524999999
],
[
4.552194609733731,
3.218887677823572,
7.884632349999999
],
[
0,
0,
0
],
[
3.33201981434609,
4.944475421926587,
5.... | [
[
6.828291914600598,
0,
3.9423161749999993
],
[
2.2760973048668642,
6.437775355647142,
3.942316174999999
],
[
0,
0,
7.8846323499999995
]
] | [
55,
55,
11,
31,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.672686 | 1.6198 | 0.075276 | 225 | 225 | [
"Br",
"Cs",
"Ga",
"Na"
] |
mp-682 | mp-682 | NaF | # generated using pymatgen
data_NaF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32074739
_cell_length_b 3.32074739
_cell_length_c 3.32074739
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaF... | # generated using pymatgen
data_NaF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69624600
_cell_length_b 4.69624600
_cell_length_c 4.69624600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaF... | [
[
0,
0,
0
],
[
1.9172343995272463,
1.355689445029835,
3.3207473899999997
]
] | [
[
2.87585159929087,
0,
1.6603736950000003
],
[
0.9586171997636235,
2.7113788900596694,
1.6603736950000003
],
[
0,
0,
3.3207473899999997
]
] | [
11,
9
] | [
1,
1,
1
] | -2.938506 | 6.0951 | 0 | 225 | 225 | [
"Na",
"F"
] |
mp-1002081 | mp-1002081 | KNaICl | # generated using pymatgen
data_KNaICl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51040000
_cell_length_b 4.51040000
_cell_length_c 6.81906400
_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_KNaICl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51040000
_cell_length_b 4.51040000
_cell_length_c 6.81906400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.2552,
2.2552,
3.4095320000000005
],
[
0,
0,
0
],
[
2.2552,
2.2552,
2.7618234614371106e-16
],
[
0,
0,
3.409532
]
] | [
[
4.5104,
0,
2.7618234614371106e-16
],
[
-2.7618234614371106e-16,
4.5104,
2.7618234614371106e-16
],
[
0,
0,
6.819064
]
] | [
19,
11,
53,
17
] | [
1,
1,
1
] | -1.820464 | 4.4984 | 0.074571 | 123 | 123 | [
"K",
"Na",
"I",
"Cl"
] |
mp-1206263 | mp-1206263 | TmMgAg | # generated using pymatgen
data_TmMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70472202
_cell_length_b 7.70472202
_cell_length_c 4.05062400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000014
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70472202
_cell_length_b 7.70472202
_cell_length_c 4.05062400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0494145572182435e-15,
2.741010126088028,
1.5825229430784802
],
[
4.050624000000003,
6.672484989004263,
0.6873151535420957
],
[
1.5051921600779216e-15,
3.9314748629162346,
5.434883955987335
],
[
2.0253120000000018,
5.006458902039745,
2.890480411090226
... | [
[
4.050624,
0,
2.480291858074724e-16
],
[
2.554606717296165e-15,
6.672484989004263,
-3.8523609936960446
],
[
0,
0,
7.704722019999999
]
] | [
69,
69,
69,
12,
12,
12,
47,
47,
47
] | [
1,
1,
1
] | -0.267162 | 0 | 0 | 189 | 189 | [
"Ag",
"Mg",
"Tm"
] |
mp-1072255 | mp-1072255 | ScNi4Au | # generated using pymatgen
data_ScNi4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82540840
_cell_length_b 4.82540840
_cell_length_c 4.82540840
_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_ScNi4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82415800
_cell_length_b 6.82415800
_cell_length_c 6.82415800
_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
],
[
2.785948052739043,
3.4446763871058494,
4.825408399999999
],
[
2.09076277508366,
1.4783954910611539,
3.6213121784269986
],
[
2.09076277508366,
1.4783954910611539,
6.029504621572999
],
[
4.176318608049807,
1.4783954910611539,
4... | [
[
4.178926258034822,
0,
2.4127042000000003
],
[
1.3929754193449404,
3.9399294601799277,
2.4127042
],
[
0,
0,
4.825408399999999
]
] | [
21,
28,
28,
28,
28,
79
] | [
1,
1,
1
] | -0.400644 | 0 | 0 | 216 | 216 | [
"Au",
"Ni",
"Sc"
] |
mp-760402 | mp-760402 | TaRhO4 | # generated using pymatgen
data_TaRhO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67313795
_cell_length_b 5.67313795
_cell_length_c 5.67313795
_cell_angle_alpha 106.71815678
_cell_angle_beta 106.71815678
_cell_angle_gamma 115.12989941
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TaRhO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77143600
_cell_length_b 6.77143600
_cell_length_c 6.08549800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.296820465535596,
1.0816755580807116,
1.2405828337292533
],
[
2.4008616289153575,
4.476353201557894,
-3.2279438957138264
],
[
-0.8927932248487999,
3.4005798563399745,
1.200355074733794
],
[
1.216973806341474,
2.2690206418475807,
-1.6362139000898137
],... | [
[
5.433342256950583,
0,
-1.6319577539138992
],
[
-3.0057258678105128,
4.526236857969577,
-1.6319577546194737
],
[
0,
0,
5.67313795
]
] | [
73,
73,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.388818 | 1.0166 | 0.014041 | 109 | 109 | [
"O",
"Rh",
"Ta"
] |
mp-13350 | mp-13350 | RbUAgS3 | # generated using pymatgen
data_RbUAgS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72451422
_cell_length_b 7.72451422
_cell_length_c 10.53495000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.06578606
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_RbUAgS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12002600
_cell_length_b 14.88952200
_cell_length_c 10.53495000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.060013000542389,
3.544450712914018,
7.9012125000000015
],
[
-9.80666968210592e-16,
3.900310288795744,
2.6337375000000005
],
[
0,
0,
0
],
[
0,
0,
5.267475
],
[
2.0600130005423893,
0.7000755455567794,
2.633737500000001
],
[
-1.493... | [
[
4.12002600108478,
0,
1.1671083784233438e-15
],
[
-2.060013000542392,
7.444761001709763,
4.729900807245608e-16
],
[
0,
0,
10.53495
]
] | [
37,
37,
92,
92,
47,
47,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.37117 | 0 | 0 | 63 | 63 | [
"Ag",
"Rb",
"S",
"U"
] |
mp-1114570 | mp-1114570 | Rb2LiNdBr6 | # generated using pymatgen
data_Rb2LiNdBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96427803
_cell_length_b 7.96427803
_cell_length_c 7.96427803
_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_Rb2LiNdBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.26319000
_cell_length_b 11.26319000
_cell_length_c 11.26319000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.299089032260761,
1.6257014452632017,
3.9821390149999987
],
[
6.897267096782283,
4.877104335789603,
11.946417045
],
[
4.598178064521522,
3.251402890526403,
7.96427803
],
[
0,
0,
0
],
[
3.4749167342079454,
4.839934297945105,
6.01873233571... | [
[
6.897267096782283,
0,
3.982139015000001
],
[
2.299089032260761,
6.502805781052804,
3.9821390150000004
],
[
0,
0,
7.964278029999999
]
] | [
37,
37,
3,
60,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -2.105001 | 4.0517 | 0.033354 | 225 | 225 | [
"Br",
"Li",
"Nd",
"Rb"
] |
mp-607 | mp-607 | CeRu2 | # generated using pymatgen
data_CeRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35903077
_cell_length_b 5.35903077
_cell_length_c 5.35903077
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CeRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57881400
_cell_length_b 7.57881400
_cell_length_c 7.57881400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
1.5470189288274927,
1.0939075751978675,
2.679515384999997
],
[
3.094037857654987,
2.1878151503957395,
5.359030769999999
],
[
4.641056786482482,
1.640861362796805,
8.038546155
],
[
5.414566250896228,
3.8286765131925438,
9.378303847499998
],
[
3.09... | [
[
4.641056786482482,
0,
2.6795153849999997
],
[
1.547018928827493,
4.37563030079148,
2.6795153849999997
],
[
0,
0,
5.35903077
]
] | [
58,
58,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.2834 | 0 | 0 | 227 | 227 | [
"Ce",
"Ru"
] |
mp-773064 | mp-773064 | VRhO4 | # generated using pymatgen
data_VRhO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50387972
_cell_length_b 5.50387972
_cell_length_c 5.50387972
_cell_angle_alpha 106.68346109
_cell_angle_beta 106.68346109
_cell_angle_gamma 115.20333459
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_VRhO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57208400
_cell_length_b 6.57208400
_cell_length_c 5.89798200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
3.20306749014436,
1.0581692284605053,
1.2000967176861643
],
[
2.3309140323398987,
4.350325407039729,
-3.131919081713468
],
[
-0.8642015955235014,
3.306997218632259,
1.1611794470988315
],
[
1.1839149325204286,
2.209611825772518,
-1.590760412799962
],
... | [
[
5.272196126327328,
0,
-1.5800759390960133
],
[
-2.9202699858483903,
4.389541571438965,
-1.5800759395008388
],
[
0,
0,
5.50387972
]
] | [
23,
23,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.805834 | 0.2372 | 0.043781 | 109 | 109 | [
"O",
"Rh",
"V"
] |
mp-1094626 | mp-1094626 | Mg5Ga | # generated using pymatgen
data_Mg5Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36227928
_cell_length_b 8.36227928
_cell_length_c 5.05287700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.45599305
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg5Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12584200
_cell_length_b 16.42984999
_cell_length_c 5.05287700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.0010102802310362128,
2.5264385,
0.005310170076041154
],
[
1.0192806302978146,
2.5264385,
5.357477396687619
],
[
2.050767533903738,
2.5264385,
2.4168333433213225
],
[
0.34781583868919397,
5.052877,
1.8281672766045252
],
[
1.3589098212789787,
... | [
[
3.0707605806562643,
0,
-0.5842239823690482
],
[
8.125645949730133e-16,
5.052877,
3.0939948222676403e-16
],
[
0,
0,
8.36227928
]
] | [
12,
12,
12,
12,
12,
31
] | [
1,
1,
1
] | -0.027179 | 0 | 0.059045 | 38 | 38 | [
"Ga",
"Mg"
] |
mp-1282272 | mp-1282272 | MnOF | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24109602
_cell_length_b 3.81699363
_cell_length_c 13.27155509
_cell_angle_alpha 90.07185256
_cell_angle_beta 89.98901131
_cell_angle_gamma 90.00048068
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24109602
_cell_length_b 3.81699363
_cell_length_c 13.27155509
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
0.6034058746062073,
0.9570035243404099,
5.678037757039002
],
[
2.2233989281541104,
2.8598573264049665,
0.9635462968793109
],
[
1.016966452177314,
0.9538277881375588,
12.3178455591796
],
[
2.638405088209793,
2.8632697160267804,
7.5946034118308745
],
[... | [
[
3.2410959603914606,
0,
0.0006216059805515615
],
[
0.000031104427089586914,
3.816990628426743,
0.0047867520830111145
],
[
0,
0,
13.27155509
]
] | [
25,
25,
25,
25,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.326784 | 1.2908 | 0.060293 | 62 | 62 | [
"F",
"Mn",
"O"
] |
mp-5167 | mp-5167 | Sm(NiGe)2 | # generated using pymatgen
data_Sm(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71622864
_cell_length_b 5.71622864
_cell_length_c 5.71622864
_cell_angle_alpha 137.81633137
_cell_angle_beta 137.81633137
_cell_angle_gamma 61.18441228
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sm(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11412800
_cell_length_b 4.11412800
_cell_length_c 9.84118799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
0.5313415776183026,
2.8468403368958093,
1.3775884136553256
],
[
2.736114724594658,
0.9489467789652695,
1.3775884135098766
],
[
2.0599776280990687,
2.393065374555964,
-0.37540564900929635
],
[
1.2074786741138932,
1.402721741305113... | [
[
3.838501298082837,
0,
-1.4805259065628482
],
[
-0.5710449958698754,
3.7957871158610788,
-1.48052590627195
],
[
0,
0,
5.716228640000001
]
] | [
62,
28,
28,
32,
32
] | [
1,
1,
1
] | -0.697672 | 0 | 0 | 139 | 139 | [
"Sm",
"Ni",
"Ge"
] |
mp-15216 | mp-15216 | K2TaAgS4 | # generated using pymatgen
data_K2TaAgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.38673219
_cell_length_b 11.93301532
_cell_length_c 7.39871058
_cell_angle_alpha 84.17101440
_cell_angle_beta 62.47348970
_cell_angle_gamma 33.35549590
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_K2TaAgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98885200
_cell_length_b 13.53134600
_cell_length_c 23.10240399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
6.842372485369346,
3.38283650001764,
3.4376209640682265
],
[
4.752088311650833,
1.5022811883447846e-15,
5.534526710457673
],
[
4.752088309027151,
3.382836500017639,
11.501034370949748
],
[
1.045142088171097,
7.511405941723923e-16,
7.9013086190405355
],... | [
[
5.79723039982193,
0,
1.5028200070169129
],
[
2.898615194663601,
6.765673000035278,
0.7514100020113103
],
[
0,
0,
11.933015322481296
]
] | [
19,
19,
19,
19,
73,
73,
47,
47,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.284662 | 2.5158 | 0 | 70 | 70 | [
"Ag",
"K",
"S",
"Ta"
] |
mp-1212441 | mp-1212441 | Hf3Ni3Sb4 | # generated using pymatgen
data_Hf3Ni3Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86748226
_cell_length_b 7.86748226
_cell_length_c 7.86748226
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Hf3Ni3Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.08458600
_cell_length_b 9.08458600
_cell_length_c 9.08458600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.09955421982414,
0.8029715457026915,
0.6556235208672877
],
[
0.463595838165831,
2.4089146371080754,
-0.6556235217393385
],
[
0.46359583816583094,
4.014857728513458,
3.2781176082606622
],
[
-2.317979190829154,
5.620800819918841,
-0.6556235213033126
],
... | [
[
7.417533410653293,
0,
-2.6224940878293994
],
[
-3.7087667053266475,
6.423772365621533,
-2.6224940860853008
],
[
0,
0,
7.86748226
]
] | [
72,
72,
72,
72,
72,
72,
28,
28,
28,
28,
28,
28,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.643634 | 0.742 | 0 | 220 | 220 | [
"Hf",
"Ni",
"Sb"
] |
mp-862680 | mp-862680 | DyMgAg2 | # generated using pymatgen
data_DyMgAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96115027
_cell_length_b 4.96115027
_cell_length_c 4.96115027
_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_DyMgAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01612600
_cell_length_b 7.01612600
_cell_length_c 7.01612600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.864321443874684,
2.025381116461831,
4.961150269999998
],
[
0,
0,
0
],
[
4.2964821658120265,
3.0380716746927474,
7.441725404999999
],
[
1.432160721937342,
1.0126905582309156,
2.4805751349999996
]
] | [
[
4.296482165812027,
0,
2.4805751349999996
],
[
1.4321607219373411,
4.050762232923664,
2.480575135
],
[
0,
0,
4.961150269999999
]
] | [
66,
12,
47,
47
] | [
1,
1,
1
] | -0.313769 | 0 | 0 | 225 | 225 | [
"Dy",
"Mg",
"Ag"
] |
mp-1023508 | mp-1023508 | CaMg15 | # generated using pymatgen
data_CaMg15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53872615
_cell_length_b 6.53872615
_cell_length_c 10.36562700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000154
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaMg15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53872615
_cell_length_b 6.53872615
_cell_length_c 10.36562700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.090286157734526e-15,
3.7751353321511347,
10.365627
],
[
1.090286157734526e-15,
3.7751353321511347,
5.182813500000001
],
[
4.87439137594809,
0.9609040717690892,
10.365627000000002
],
[
4.906718837281201,
0.9422398026869337,
5.182813500000002
],
[
... | [
[
6.538725997797469,
0,
1.8522703240791827e-15
],
[
-3.269362998898734,
5.662702998226702,
4.0038150250492973e-16
],
[
0,
0,
10.365627
]
] | [
20,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | 0.012643 | 0 | 0.052561 | 187 | 187 | [
"Ca",
"Mg"
] |
mp-1228130 | mp-1228130 | Al8BC5 | # generated using pymatgen
data_Al8BC5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.94380047
_cell_length_b 16.94380047
_cell_length_c 16.94380007
_cell_angle_alpha 11.47716404
_cell_angle_beta 11.47716404
_cell_angle_gamma 11.47716473
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Al8BC5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38841388
_cell_length_b 3.38841388
_cell_length_c 50.49145753
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7802073709161537,
1.0347231708326472,
16.172931317205872
],
[
4.303006573821205,
2.501068515341917,
8.012604128777122
],
[
0.7371182564232518,
0.4284407266398306,
9.608808647594325
],
[
3.2599174593283027,
1.8947860711491005,
1.4484814591655801
],
... | [
[
3.371432637875246,
0,
0.33880635318572083
],
[
1.6686921923692108,
2.929509241981748,
0.33880635318572083
],
[
0,
0,
16.94380007
]
] | [
13,
13,
13,
13,
13,
13,
13,
13,
5,
6,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.047968 | 0 | 0.046143 | 166 | 166 | [
"Al",
"B",
"C"
] |
mp-1207022 | mp-1207022 | K(PRu)2 | # generated using pymatgen
data_K(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96324529
_cell_length_b 6.96324529
_cell_length_c 6.96324529
_cell_angle_alpha 146.13791671
_cell_angle_beta 146.13791671
_cell_angle_gamma 48.64195583
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05568000
_cell_length_b 4.05568000
_cell_length_c 12.69055000
_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
],
[
1.187458646716323,
1.3031059848199562,
3.9007873776021427
],
[
2.332887876294421,
2.560089281357026,
0.7002633352265152
],
[
2.8200318270759586,
0.9657988165442456,
2.3005253564297847
],
[
0.7003146959347855,
2.8973964496327365,
... | [
[
3.879890392646545,
0,
-1.1810972885547593
],
[
-0.35954386963580137,
3.8631952661769815,
-1.181097288616582
],
[
0,
0,
6.96324529
]
] | [
19,
15,
15,
44,
44
] | [
1,
1,
1
] | -0.632255 | 0 | 0 | 139 | 139 | [
"K",
"P",
"Ru"
] |
mp-1517349 | mp-1517349 | SrEuFeWO6 | # generated using pymatgen
data_SrEuFeWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64523320
_cell_length_b 5.64523320
_cell_length_c 5.64523320
_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_SrEuFeWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98356535
_cell_length_b 7.98356535
_cell_length_c 7.98356535
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.6296384538291058,
1.1523284015849213,
2.8226166
],
[
4.888915361487317,
3.456985204754764,
8.4678498
],
[
0,
0,
0
],
[
3.2592769076582115,
2.3046568031698427,
5.645233199999999
],
[
2.453469027316259,
3.4442412362165475,
4.2495330101083... | [
[
4.888915361487318,
0,
2.8226166000000004
],
[
1.6296384538291049,
4.609313606339685,
2.8226166
],
[
0,
0,
5.645233199999999
]
] | [
38,
63,
26,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.544185 | 0 | 0.055836 | 216 | 216 | [
"Eu",
"Fe",
"O",
"Sr",
"W"
] |
mp-569687 | mp-569687 | CuHgSeCl | # generated using pymatgen
data_CuHgSeCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25160900
_cell_length_b 7.17399200
_cell_length_c 13.08780900
_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_CuHgSeCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25160900
_cell_length_b 7.17399200
_cell_length_c 13.08780900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.1258044999999997,
5.3894614899999995,
5.989125364299
],
[
2.1258045,
1.80246549,
0.5547791357010002
],
[
2.1258045,
1.78453051,
7.098683635701001
],
[
2.1258044999999997,
5.371526510000001,
12.533029864299001
],
[
-2.6634883460384267e-16,
4... | [
[
4.251609,
0,
2.6033596765380396e-16
],
[
-4.3928031699543594e-16,
7.173992,
4.3928031699543594e-16
],
[
0,
0,
13.087809
]
] | [
29,
29,
29,
29,
80,
80,
80,
80,
34,
34,
34,
34,
17,
17,
17,
17
] | [
1,
1,
1
] | -0.615957 | 1.0995 | 0.002706 | 55 | 55 | [
"Cl",
"Cu",
"Hg",
"Se"
] |
mp-1209940 | mp-1209940 | NaSmCu2F8 | # generated using pymatgen
data_NaSmCu2F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52087342
_cell_length_b 6.52087342
_cell_length_c 6.52087342
_cell_angle_alpha 130.15600253
_cell_angle_beta 130.15600253
_cell_angle_gamma 73.15749206
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_NaSmCu2F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49558400
_cell_length_b 5.49558400
_cell_length_c 10.47302600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.9539154450627487,
2.433152613128324,
-2.3157514001281516
],
[
0,
0,
0
],
[
3.468881626057426,
1.216576306564162,
0.944685310047442
],
[
0.4389492640680722,
3.6497289196924854,
0.9446853096962536
],
[
1.1489665987903837,
4.644518499264773,
... | [
[
4.983847807052102,
0,
-2.3157513997769636
],
[
-1.0760169169266045,
4.866305226256647,
-2.315751400479342
],
[
0,
0,
6.52087342
]
] | [
11,
62,
29,
29,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.9109 | 0.8104 | 0 | 97 | 97 | [
"Cu",
"F",
"Na",
"Sm"
] |
mp-1222748 | mp-1222748 | Li2UBr6 | # generated using pymatgen
data_Li2UBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98236571
_cell_length_b 6.98236571
_cell_length_c 7.01709400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999725
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2UBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98236571
_cell_length_b 6.98236571
_cell_length_c 7.01709400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.4911830001153255,
2.015635333196997,
3.5085470000000014
],
[
-3.0144744108516628e-15,
4.031270666393994,
3.508547000000001
],
[
0,
0,
3.508547
],
[
2.324506447502787,
9.278500492797388e-17,
1.9516152345620015
],
[
5.820112776479259,
2.01308... | [
[
6.982366000230654,
0,
1.9779433085960754e-15
],
[
-3.491183000115332,
6.04690599959099,
4.275465908613868e-16
],
[
0,
0,
7.017094
]
] | [
3,
3,
92,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.803057 | 0.3197 | 0.00105 | 162 | 162 | [
"Br",
"Li",
"U"
] |
mp-1178924 | mp-1178924 | Tm(BIr)4 | # generated using pymatgen
data_Tm(BIr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39486400
_cell_length_b 5.39486400
_cell_length_c 7.44503500
_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_Tm(BIr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39486400
_cell_length_b 5.39486400
_cell_length_c 7.44503500
_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
],
[
2.697432,
2.697432,
3.7225175000000004
],
[
4.464503518608001,
2.697432,
1.1404900215800005
],
[
0.9303604813919999,
2.697432,
1.1404900215800002
],
[
-1.0820192395638698e-16,
1.767071518608,
4.86300752158
],
[
-2.221... | [
[
5.394864,
0,
3.303401464717643e-16
],
[
-3.303401464717643e-16,
5.394864,
3.303401464717643e-16
],
[
0,
0,
7.445035
]
] | [
69,
69,
5,
5,
5,
5,
5,
5,
5,
5,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.511158 | 0 | 0 | 137 | 137 | [
"B",
"Ir",
"Tm"
] |
mp-1228112 | mp-1228112 | BaLaCoIrO6 | # generated using pymatgen
data_BaLaCoIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67200500
_cell_length_b 5.69645295
_cell_length_c 5.69768744
_cell_angle_alpha 90.68666722
_cell_angle_beta 119.01444553
_cell_angle_gamma 119.71117472
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_BaLaCoIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67200500
_cell_length_b 5.69645295
_cell_length_c 5.69768744
_cell_angle_alpha 90.68666722
_cell_angle_beta 119.01444553
_cell_angle_gamma 119.71117472
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.500596762249481,
3.5071010091139825,
1.4711371515928124
],
[
4.082875827456012,
1.176061339089319,
-1.3909937857573045
],
[
2.4598881920378353,
0.01841846684013706,
1.485205103087937
],
[
0.8554590030110764,
2.332682259416031,
-1.4028137330018844
],
... | [
[
4.960153898350682,
0,
-2.7510932417316467
],
[
-3.2663721188324515,
4.6664471345672816,
-0.06826809772147564
],
[
0,
0,
5.69768744
]
] | [
56,
57,
27,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.258699 | 0 | 0.077275 | 1 | 1 | [
"Ba",
"Co",
"Ir",
"La",
"O"
] |
mp-15964 | mp-15964 | Hf3Sb | # generated using pymatgen
data_Hf3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44360642
_cell_length_b 8.44360642
_cell_length_c 8.44360642
_cell_angle_alpha 96.53058800
_cell_angle_beta 96.53058800
_cell_angle_gamma 140.58187518
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Hf3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.24152201
_cell_length_b 11.24152201
_cell_length_c 5.69511400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8323445238389087,
6.456070880838438,
9.628437653444097
],
[
1.0322105798891181,
1.4928855602430786,
0.5577997706892952
],
[
4.7730400290955854,
0.17700736203000358,
8.56766867392467
],
[
6.446839959970054,
7.771949079051514,
3.895238651232623
],
[
... | [
[
5.361478363965969,
0,
1.9206439696565971
],
[
2.680739182430864,
7.948956441081517,
0.9603219849887445
],
[
0,
0,
8.44360642
]
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.419008 | 0 | 0 | 82 | 82 | [
"Hf",
"Sb"
] |
mp-1104184 | mp-1104184 | Pr3Pd4 | # generated using pymatgen
data_Pr3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23145570
_cell_length_b 8.23145570
_cell_length_c 8.23145591
_cell_angle_alpha 114.50421674
_cell_angle_beta 114.50421674
_cell_angle_gamma 114.50421078
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.84627833
_cell_length_b 13.84627833
_cell_length_c 5.88672214
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.9811369970361998,
5.178916678503056,
-2.536369759702939
],
[
0.9037197893363668,
6.05791998573259,
1.3056972774873778
],
[
4.4824025266387935,
2.6094419809061287,
-0.577690781936184
],
[
0.8773702019152492,
1.7442226440678328,
5.950450150099357
],
... | [
[
5.717014827764846,
0,
-1.4032957854344639
],
[
-2.858507628813397,
6.923139322570887,
-3.4140795241691158
],
[
0,
0,
8.2314557
]
] | [
59,
59,
59,
59,
59,
59,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.793627 | 0 | 0 | 148 | 148 | [
"Pd",
"Pr"
] |
mp-3352 | mp-3352 | ErSiPd2 | # generated using pymatgen
data_ErSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50895300
_cell_length_b 7.00250200
_cell_length_c 7.28484600
_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_ErSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50895300
_cell_length_b 7.00250200
_cell_length_c 7.28484600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7714847960259996,
5.2518765,
3.840709223274
],
[
3.525961296026,
1.7506255,
7.086559776726
],
[
4.737468203974,
1.7506255,
3.4441367767260003
],
[
1.9829917039739997,
5.2518765,
0.19828622327400044
],
[
4.738889513848,
5.2518765,
6.4030... | [
[
5.508953,
0,
3.3732608290516046e-16
],
[
-4.287795830161469e-16,
7.002502,
4.287795830161469e-16
],
[
0,
0,
7.284846
]
] | [
68,
68,
68,
68,
14,
14,
14,
14,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.992639 | 0 | 0 | 62 | 62 | [
"Er",
"Pd",
"Si"
] |
mp-22268 | mp-22268 | ZrPRu | # generated using pymatgen
data_ZrPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89677100
_cell_length_b 6.47655900
_cell_length_c 7.37843500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_ZrPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89677100
_cell_length_b 6.47655900
_cell_length_c 7.37843500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
2.92257825,
3.383108312358,
2.3535510609950006
],
[
0.9741927499999997,
6.331730187642,
6.0427685609949995
],
[
2.92257825,
0.144828812358,
1.3356664390050002
],
[
0.9741927499999998,
3.093450687642,
5.024883939005
],
[
0.9741927499999997,
4.... | [
[
3.896771,
0,
2.3860840660801154e-16
],
[
-3.965748624419491e-16,
6.476559,
3.965748624419491e-16
],
[
0,
0,
7.378435
]
] | [
40,
40,
40,
40,
15,
15,
15,
15,
44,
44,
44,
44
] | [
1,
1,
1
] | -1.122021 | 0 | 0 | 62 | 62 | [
"Zr",
"P",
"Ru"
] |
mp-1189157 | mp-1189157 | Mn5SiB2 | # generated using pymatgen
data_Mn5SiB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55864100
_cell_length_b 5.55864100
_cell_length_c 6.49026510
_cell_angle_alpha 115.35522305
_cell_angle_beta 115.35522305
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mn5SiB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55864100
_cell_length_b 5.55864100
_cell_length_c 10.32943401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9475865542686708,
2.4474439119742573,
4.109893750555227
],
[
0,
0,
0
],
[
0.9517374374301208,
0.1452557961756722,
4.173179580498093
],
[
1.8754103661311492,
3.4074929455487513,
1.7928079461078839
],
[
3.275561023072371,
0.9600490335744942,
... | [
[
5.023178071551234,
0,
-2.3803722037462594
],
[
-1.1280049630138926,
4.8948878239485145,
-2.3803713494447876
],
[
0,
0,
6.490265527150751
]
] | [
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
14,
14,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.410975 | 0 | 0 | 140 | 140 | [
"B",
"Mn",
"Si"
] |
mp-30555 | mp-30555 | TaGaCo2 | # generated using pymatgen
data_TaGaCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21439884
_cell_length_b 4.21439884
_cell_length_c 4.21439884
_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_TaGaCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96006000
_cell_length_b 5.96006000
_cell_length_c 5.96006000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4331843047464474,
1.720521121762887,
4.214398839999999
],
[
0,
0,
0
],
[
3.6497764571196707,
2.5807816826443304,
6.321598259999999
],
[
1.216592152373224,
0.8602605608814443,
2.1071994200000006
]
] | [
[
3.6497764571196702,
0,
2.1071994199999997
],
[
1.2165921523732242,
3.441042243525774,
2.1071994199999993
],
[
0,
0,
4.21439884
]
] | [
73,
31,
27,
27
] | [
1,
1,
1
] | -0.360077 | 0 | 0 | 225 | 225 | [
"Ta",
"Ga",
"Co"
] |
mp-559594 | mp-559594 | LaGaSe2O | # generated using pymatgen
data_LaGaSe2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99136800
_cell_length_b 6.01113100
_cell_length_c 12.44816900
_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_LaGaSe2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99136800
_cell_length_b 6.01113100
_cell_length_c 12.44816900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.52998347428,
2.989082978798,
1.1724432454340006
],
[
1.53429947428,
0.016482521202,
1.1724432454340001
],
[
1.5342994742799998,
3.022048021202,
11.275725754566
],
[
4.52998347428,
5.994648478797999,
11.275725754566
],
[
3.9412896287039993,
... | [
[
5.991368,
0,
3.6686548218569396e-16
],
[
-3.680756169202714e-16,
6.011131,
3.680756169202714e-16
],
[
0,
0,
12.448169
]
] | [
57,
57,
57,
57,
31,
31,
31,
31,
34,
34,
34,
34,
34,
34,
34,
34,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.17387 | 1.8513 | 0.005926 | 29 | 29 | [
"Ga",
"La",
"O",
"Se"
] |
mp-1159 | mp-1159 | Zr2Fe | # generated using pymatgen
data_Zr2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28499578
_cell_length_b 5.28499578
_cell_length_c 5.28499578
_cell_angle_alpha 107.13033048
_cell_angle_beta 107.13033048
_cell_angle_gamma 114.26185541
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zr2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27760400
_cell_length_b 6.27760400
_cell_length_c 5.73655800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
1.1341588198763246,
0.7549823700961834,
1.8641616050793175
],
[
1.1641248178528072,
3.4797588564715967,
0.3074828085325416
],
[
-0.9663803336250856,
2.8723572181213,
3.1935596886785276
],
[
3.264663971354217,
1.36238400844648,
-1.021915275066669
],
[... | [
[
5.050538705117104,
0,
-1.5566756831894033
],
[
-2.752255067387972,
4.23474122656778,
-1.5566756831987376
],
[
0,
0,
5.28499578
]
] | [
40,
40,
40,
40,
26,
26
] | [
1,
1,
1
] | -0.137636 | 0 | 0.006029 | 140 | 140 | [
"Zr",
"Fe"
] |
mp-1205520 | mp-1205520 | Eu2DyTaO6 | # generated using pymatgen
data_Eu2DyTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94301329
_cell_length_b 5.94301329
_cell_length_c 5.94301329
_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_Eu2DyTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40469000
_cell_length_b 8.40469000
_cell_length_c 8.40469000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.146800484168534,
3.6393375237697763,
8.914519935
],
[
1.7156001613895133,
1.2131125079232576,
2.971506645
],
[
3.4312003227790226,
2.4262250158465175,
5.94301329
],
[
0,
0,
0
],
[
2.52969704357303,
3.7011431798234495,
4.381563807225269
... | [
[
5.146800484168534,
0,
2.9715066450000003
],
[
1.7156001613895113,
4.852450031693035,
2.971506645
],
[
0,
0,
5.943013289999999
]
] | [
63,
63,
66,
73,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.473722 | 0 | 0.062479 | 225 | 225 | [
"Dy",
"Eu",
"O",
"Ta"
] |
mp-20424 | mp-20424 | MgCo3C | # generated using pymatgen
data_MgCo3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77785600
_cell_length_b 3.77785600
_cell_length_c 3.77785600
_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_MgCo3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77785600
_cell_length_b 3.77785600
_cell_length_c 3.77785600
_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
],
[
-1.1566348145099057e-16,
1.888928,
1.8889280000000002
],
[
1.888928,
0,
1.8889280000000002
],
[
1.8889279999999997,
1.888928,
2.3132696290198114e-16
],
[
1.8889279999999997,
1.888928,
1.8889280000000002
]
] | [
[
3.777856,
0,
2.3132696290198114e-16
],
[
-2.3132696290198114e-16,
3.777856,
2.3132696290198114e-16
],
[
0,
0,
3.777856
]
] | [
12,
27,
27,
27,
6
] | [
1,
1,
1
] | -0.069931 | 0 | 0 | 221 | 221 | [
"Mg",
"Co",
"C"
] |
mp-756893 | mp-756893 | MnV4CoO12 | # generated using pymatgen
data_MnV4CoO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83820267
_cell_length_b 6.83820267
_cell_length_c 5.88451863
_cell_angle_alpha 74.81025478
_cell_angle_beta 74.81025478
_cell_angle_gamma 84.12546647
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MnV4CoO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.15352400
_cell_length_b 9.16242400
_cell_length_c 5.88451863
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.66639106
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.14203109682239567,
0.5620504141272864,
6.315071352098753
],
[
3.3951484827926044,
2.57605780310529,
2.4261451110527092
],
[
5.948118756828238,
1.3600955248087216,
4.318222648927616
],
[
4.25824300464782,
5.237335913299581,
5.519744500276392
],
[
... | [
[
5.67893358908742,
0,
1.541840717308938
],
[
1.6665621987045394,
6.594978106252777,
0.699892828860791
],
[
0,
0,
6.838202670000001
]
] | [
25,
23,
23,
23,
23,
27,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.217825 | 2.0237 | 0.010833 | 5 | 5 | [
"Co",
"Mn",
"O",
"V"
] |
mp-1183528 | mp-1183528 | Ca(GePt)2 | # generated using pymatgen
data_Ca(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30163800
_cell_length_b 4.24424000
_cell_length_c 10.41194208
_cell_angle_alpha 89.90248873
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ca(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24424000
_cell_length_b 4.30163800
_cell_length_c 10.41194208
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.09751127
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.1929116625177625,
3.204922486986,
2.594175981592786
],
[
1.051322190892955,
1.054103486986,
7.824989336075235
],
[
1.019876662273035,
1.0975715389760001,
3.836016688838552
],
[
3.1686473775778135,
1.0083383603039997,
10.389409954449919
],
[
1.0... | [
[
4.244233853410718,
0,
0.007223237668021246
],
[
-2.633993603895311e-16,
4.301638,
2.633993603895311e-16
],
[
0,
0,
10.41194208
]
] | [
20,
20,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.771709 | 0 | 0.001852 | 4 | 4 | [
"Ca",
"Ge",
"Pt"
] |
mp-1212093 | mp-1212093 | HoFe6(Sn2Ge)2 | # generated using pymatgen
data_HoFe6(Sn2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29554519
_cell_length_b 5.29554519
_cell_length_c 8.72265900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001481
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_HoFe6(Sn2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29554519
_cell_length_b 5.29554519
_cell_length_c 8.72265900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
0,
0,
0
],
[
1.1821401637899186e-15,
4.586077003630902,
2.020734797235001
],
[
1.1821401637899186e-15,
4.586077003630902,
6.701924202765001
],
[
3.9716580034319255,
2.2930385018154515,
2.0207347972350016
],
[
3.9716580034319255,
2.29303850181... | [
[
5.2955440045759,
0,
1.5001055271065657e-15
],
[
-2.647772002287949,
4.586077003630903,
3.2425862333368316e-16
],
[
0,
0,
8.722659
]
] | [
67,
26,
26,
26,
26,
26,
26,
50,
50,
50,
50,
32,
32
] | [
1,
1,
1
] | -0.187835 | 0 | 0.010575 | 191 | 191 | [
"Fe",
"Ge",
"Ho",
"Sn"
] |
mp-758690 | mp-758690 | Li4Mn2Ni3O10 | # generated using pymatgen
data_Li4Mn2Ni3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04246500
_cell_length_b 5.09474127
_cell_length_c 7.65732157
_cell_angle_alpha 101.48647146
_cell_angle_beta 108.84992183
_cell_angle_gamma 100.97489446
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Li4Mn2Ni3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04246500
_cell_length_b 5.09474127
_cell_length_c 7.65732157
_cell_angle_alpha 101.48647146
_cell_angle_beta 108.84992183
_cell_angle_gamma 100.97489446
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
-0.657584374441246,
3.693806479857159,
3.604822682055122
],
[
2.5072694406838734,
2.903448233302493,
-0.07329591030704254
],
[
0.8934929676914495,
1.8972505686136754,
5.086896297110657
],
[
4.058346782816568,
1.1068923220590088,
1.4087777047484922
],
... | [
[
4.772028074930121,
0,
-1.6291719762823433
],
[
-1.3712656665547984,
4.800698801916168,
-1.0145492069140418
],
[
0,
0,
7.65732157
]
] | [
3,
3,
3,
3,
25,
25,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.703864 | 0 | 0.061094 | 2 | 2 | [
"Li",
"Mn",
"Ni",
"O"
] |
mp-29244 | mp-29244 | Cd2P3I | # generated using pymatgen
data_Cd2P3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30839854
_cell_length_b 6.30839854
_cell_length_c 7.64209458
_cell_angle_alpha 83.71224946
_cell_angle_beta 83.71224946
_cell_angle_gamma 96.65475764
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cd2P3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38857400
_cell_length_b 9.42419200
_cell_length_c 7.64209458
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.48130492
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.34948866180888366,
2.455258945642803,
1.8031494463155262
],
[
3.0694703057516657,
5.553359973555913,
0.6360834379623662
],
[
5.1093512946461,
3.7624439267160352,
4.457130727962367
],
[
2.389369650703318,
0.6643428988029256,
5.624196736315525
],
[
... | [
[
6.270449694918925,
0,
-0.6909072028610536
],
[
-0.8116097384639414,
6.217702872358838,
-0.6909072028610536
],
[
0,
0,
7.64209458
]
] | [
48,
48,
48,
48,
15,
15,
15,
15,
15,
15,
53,
53
] | [
1,
1,
1
] | -0.282065 | 1.135 | 0.018934 | 15 | 15 | [
"Cd",
"I",
"P"
] |
mvc-3081 | mvc-3081 | ZnMoF5 | # generated using pymatgen
data_ZnMoF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54971377
_cell_length_b 5.54971377
_cell_length_c 7.91994151
_cell_angle_alpha 69.25808162
_cell_angle_beta 69.25808162
_cell_angle_gamma 74.29512648
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZnMoF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84716400
_cell_length_b 6.70261000
_cell_length_c 7.91994151
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.37978094
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.3448126632152216,
2.5816516776785545,
4.971766962091212
],
[
2.9178211218186254,
2.5362761297379985,
0.08331267588670799
],
[
2.6019349697415146,
0,
2.9851805294975877
],
[
0,
0,
0
],
[
-1.0097130062267328,
4.538399252143739,
0.89932291... | [
[
5.203869939483029,
0,
-1.928486604016868
],
[
-1.9412361544491825,
5.117927807416552,
-0.9152814210172563
],
[
0,
0,
7.898847663012043
]
] | [
30,
30,
42,
42,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.64266 | 2.6977 | 0.053711 | 15 | 15 | [
"F",
"Mo",
"Zn"
] |
mp-1080680 | mp-1080680 | YbCdSn | # generated using pymatgen
data_YbCdSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67017937
_cell_length_b 7.67017937
_cell_length_c 4.68724900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999453
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbCdSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67017937
_cell_length_b 7.67017937
_cell_length_c 4.68724900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3436245,
4.133027266959214e-16,
3.2631397497378396
],
[
2.343624500000001,
2.825962075136929,
6.03860922533787
],
[
2.3436245000000016,
3.8166084770004955,
2.203519445761348
],
[
2.507629411146688e-31,
3.9895113173053373e-16,
5.729562627955039
],
[... | [
[
4.687249,
0,
2.870112242328316e-16
],
[
2.543153769632725e-15,
6.642570552137425,
-3.835090319162939
],
[
0,
0,
7.670179369999999
]
] | [
70,
70,
70,
48,
48,
48,
50,
50,
50
] | [
1,
1,
1
] | -0.52371 | 0 | 0 | 189 | 189 | [
"Cd",
"Sn",
"Yb"
] |
mp-753963 | mp-753963 | CrOF | # generated using pymatgen
data_CrOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60051900
_cell_length_b 5.62605387
_cell_length_c 5.12339570
_cell_angle_alpha 91.46634025
_cell_angle_beta 90.00010820
_cell_angle_gamma 90.00007320
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | # generated using pymatgen
data_CrOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12339570
_cell_length_b 4.60051900
_cell_length_c 5.62605387
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.46634025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | [
[
0.07359656279772075,
3.715683448127944,
4.692809386308165
],
[
2.3738605014555403,
1.4060088886422637,
3.615162933565271
],
[
2.2266946615456296,
3.7154119970768393,
1.8797472667925583
],
[
4.526953998513163,
1.406346922026658,
0.8021583511402076
],
... | [
[
4.600518999996246,
0,
-0.000005877535722956733
],
[
-0.000009842755954887531,
5.121717945359935,
-0.13110601381938367
],
[
0,
0,
5.62605387
]
] | [
24,
24,
24,
24,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.590292 | 1.6662 | 0.076386 | 14 | 14 | [
"Cr",
"F",
"O"
] |
mp-978995 | mp-978995 | TmMnRh2 | # generated using pymatgen
data_TmMnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56037488
_cell_length_b 4.56037488
_cell_length_c 4.56037488
_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_TmMnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44934400
_cell_length_b 6.44934400
_cell_length_c 6.44934400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.632933664573607,
1.8617652486343435,
4.56037488
],
[
0,
0,
0
],
[
1.3164668322868034,
0.9308826243171714,
2.28018744
],
[
3.949400496860411,
2.792647872951516,
6.84056232
]
] | [
[
3.9494004968604117,
0,
2.2801874399999997
],
[
1.3164668322868027,
3.7235304972686887,
2.28018744
],
[
0,
0,
4.5603748799999995
]
] | [
69,
25,
45,
45
] | [
1,
1,
1
] | -0.565099 | 0 | 0.014481 | 225 | 225 | [
"Tm",
"Mn",
"Rh"
] |
mp-1188586 | mp-1188586 | Pr2Ge5Ru3 | # generated using pymatgen
data_Pr2Ge5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.55455860
_cell_length_b 8.55455860
_cell_length_c 8.55455860
_cell_angle_alpha 139.66109337
_cell_angle_beta 108.38194242
_cell_angle_gamma 85.55058445
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Pr2Ge5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89918600
_cell_length_b 10.01029600
_cell_length_c 12.55848199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.804333829264776,
4.662243865809823,
4.029806491815539
],
[
2.8844635478040948,
3.1655665200360836,
9.256458266033063
],
[
1.0381932765669017,
1.0330831034823997,
5.72818288998202
],
[
6.65060410050197,
6.794727282363508,
7.5580818678665835
],
[
... | [
[
5.537430106435447,
0,
2.0340263632961095
],
[
2.1513672706334233,
7.827810385845906,
2.6976797939941317
],
[
0,
0,
8.55455860055836
]
] | [
59,
59,
59,
59,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.636324 | 0 | 0 | 72 | 72 | [
"Ge",
"Pr",
"Ru"
] |
mp-754182 | mp-754182 | TbZr4O10 | # generated using pymatgen
data_TbZr4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37894172
_cell_length_b 6.37894172
_cell_length_c 6.37894172
_cell_angle_alpha 99.54198806
_cell_angle_beta 99.54198806
_cell_angle_gamma 131.94826530
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TbZr4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23960600
_cell_length_b 8.23960600
_cell_length_c 5.19436000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3721648307279986,
5.514014148180608e-16,
7.436381064602925
],
[
1.9033183129488902,
3.4827703325985584,
2.109207681673035
],
[
5.213176179553167,
2.3435109442802333,
7.442052072277526
],
[
3.3263230630117513,
4.674745913910083,
5.295907842758346
],
... | [
[
4.744329661455997,
0,
2.1148786892058493
],
[
2.3721648310460606,
5.826281276878792,
1.0574393447447106
],
[
0,
0,
6.37894172
]
] | [
65,
40,
40,
40,
40,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.638353 | 0 | 0.07647 | 87 | 87 | [
"O",
"Tb",
"Zr"
] |
mp-753495 | mp-753495 | Sb3O7F | # generated using pymatgen
data_Sb3O7F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38458812
_cell_length_b 6.38458812
_cell_length_c 3.83491700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.91206305
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sb3O7F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48928800
_cell_length_b 10.99731800
_cell_length_c 3.83491700
_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
],
[
3.834917,
1.6978476330846628,
3.5072662417745297
],
[
3.8349169999999995,
3.8909830282033293,
-0.20941382498793742
],
[
-1.510478184741466e-17,
0.24667980772792938,
2.018671072617727
],
[
3.834917,
1.8863309471366005,
-0.7600... | [
[
3.834917,
0,
2.348209414522885e-16
],
[
-3.422171790161462e-16,
5.588830661287992,
-3.086735703213408
],
[
0,
0,
6.38458812
]
] | [
51,
51,
51,
8,
8,
8,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -1.798301 | 0 | 0.039982 | 65 | 65 | [
"Sb",
"O",
"F"
] |
mp-10289 | mp-10289 | Ca(BC)2 | # generated using pymatgen
data_Ca(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31353303
_cell_length_b 5.31353303
_cell_length_c 5.31353303
_cell_angle_alpha 119.35041708
_cell_angle_beta 119.35041708
_cell_angle_gamma 91.12884178
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ca(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36561800
_cell_length_b 5.36561800
_cell_length_c 7.44008199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3463550208931876,
3.2639643934829445,
1.3022131357412838
],
[
3.8697709588436915,
1.0879881311609816,
-1.3022131362809592
],
[
1.6559501413488031,
2.7806104343808427,
-1.3545507747725039
],
[
1.892433970894917,
0.6046298201063542,
0.6017847204417126
... | [
[
4.631478927818944,
0,
-2.6044262722920806
],
[
-3.0468318759010087,
4.351952524643926,
-0.10468048595551337
],
[
0,
0,
5.313533029999999
]
] | [
20,
20,
5,
5,
5,
5,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.331917 | 0.6178 | 0 | 140 | 140 | [
"Ca",
"B",
"C"
] |
mp-1227288 | mp-1227288 | Ce2In3Cu | # generated using pymatgen
data_Ce2In3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68888300
_cell_length_b 4.84436080
_cell_length_c 8.41346418
_cell_angle_alpha 90.03604046
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ce2In3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68888300
_cell_length_b 4.84436080
_cell_length_c 8.41346418
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-5.0427353078547725e-21,
0.00008235411730738563,
0.11162137747327998
],
[
-1.4836468854430484e-16,
2.4229792401793255,
4.140844975054292
],
[
1.8444414999999998,
2.4217826832984475,
7.032149520103574
],
[
1.8444414999999998,
2.4204407956223215,
1.5164683... | [
[
3.688883,
0,
2.258789379189543e-16
],
[
-2.9663148869733957e-16,
4.8443598416109195,
-0.003047222354038908
],
[
0,
0,
8.41346418
]
] | [
58,
58,
49,
49,
49,
29
] | [
1,
1,
1
] | -0.300837 | 0 | 0.061348 | 25 | 25 | [
"Ce",
"Cu",
"In"
] |
mp-1219181 | mp-1219181 | Sm2Si3Pd | # generated using pymatgen
data_Sm2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76448342
_cell_length_b 7.76448342
_cell_length_c 7.76448342
_cell_angle_alpha 150.18908514
_cell_angle_beta 148.35595418
_cell_angle_gamma 44.02846208
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sm2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99443600
_cell_length_b 4.23397400
_cell_length_c 14.39676201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.0855433543388187,
3.5277850047461605,
3.8273974885951567
],
[
0.3113948229986031,
2.562664097603811,
1.1698593384672031
],
[
1.0518844507609972,
1.2026478859557161,
3.9517575618176073
],
[
1.6333277599503409,
1.8674277161868487,
6.136144822409715
],
... | [
[
3.8600295536569877,
0,
-1.027468159192769
],
[
-0.3072780616042873,
4.0619566798920435,
-1.1543933368495793
],
[
0,
0,
7.76448342
]
] | [
62,
62,
14,
14,
14,
46
] | [
1,
1,
1
] | -0.86794 | 0 | 0 | 44 | 44 | [
"Pd",
"Si",
"Sm"
] |
mp-44 | mp-44 | U | # generated using pymatgen
data_U
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22102110
_cell_length_b 3.22102110
_cell_length_c 4.90964600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 128.30413893
_symmetry_Int_Tables_number 1
_chemical_formula_structural U
_c... | # generated using pymatgen
data_U
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80862800
_cell_length_b 5.79754400
_cell_length_c 4.90964600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U
_ch... | [
[
-3.2390127260525393e-18,
0.5740554144612157,
3.6822345000000003
],
[
1.404314000649146,
2.324716586615447,
1.227411500000001
]
] | [
[
2.8086280012982923,
0,
7.956195595189388e-16
],
[
-1.4043140006491468,
2.898772001076663,
1.9723065900505434e-16
],
[
0,
0,
4.909646
]
] | [
92,
92
] | [
1,
1,
1
] | 0 | 0 | 0 | 63 | 63 | [
"U"
] |
mp-1206039 | mp-1206039 | Rb2SnF6 | # generated using pymatgen
data_Rb2SnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39054117
_cell_length_b 6.39054117
_cell_length_c 6.39054117
_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_Rb2SnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.03758999
_cell_length_b 9.03758999
_cell_length_c 9.03758999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.5343709971503285,
3.913391261687152,
9.585811755
],
[
1.8447903323834411,
1.3044637538957193,
3.195270585
],
[
0,
0,
0
],
[
2.6628293990528977,
4.060973072947897,
4.612155811047721
],
[
4.716331930480873,
1.1568819426349732,
8.168926528... | [
[
5.5343709971503285,
0,
3.1952705850000007
],
[
1.8447903323834427,
5.2178550155828685,
3.1952705850000003
],
[
0,
0,
6.390541169999999
]
] | [
37,
37,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.01549 | 5.3825 | 0.017689 | 225 | 225 | [
"F",
"Rb",
"Sn"
] |
mp-1021492 | mp-1021492 | Cd4SF6 | # generated using pymatgen
data_Cd4SF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.81208474
_cell_length_b 12.81208474
_cell_length_c 12.81208479
_cell_angle_alpha 17.52382160
_cell_angle_beta 17.52382160
_cell_angle_gamma 17.52382083
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cd4SF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90330009
_cell_length_b 3.90330009
_cell_length_c 37.83699759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.5452048722248195,
2.665736394556175,
8.946359945504977
],
[
1.195596520440699,
0.7012104508687264,
5.054895366582114
],
[
2.147191759288935,
1.2593155599663577,
11.692903537952068
],
[
3.593609633376584,
2.1076312854585435,
2.3083517741350206
],
[
... | [
[
3.8577481313441893,
0,
0.594585261043543
],
[
1.883053261321329,
3.3669468454249007,
0.594585261043543
],
[
0,
0,
12.81208479
]
] | [
48,
48,
48,
48,
16,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.162667 | 0.7919 | 0.027701 | 166 | 166 | [
"Cd",
"F",
"S"
] |
mp-19033 | mp-19033 | WO3 | # generated using pymatgen
data_WO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35897700
_cell_length_b 5.41479800
_cell_length_c 7.72494136
_cell_angle_alpha 89.08578064
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WO3... | # generated using pymatgen
data_WO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41479800
_cell_length_b 5.35897700
_cell_length_c 7.72494136
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.91421936
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WO3... | [
[
1.307531439253,
4.054149575351748,
1.7144603592567185
],
[
3.9870199392530004,
1.3599591399890156,
2.061614723198155
],
[
4.051445560747,
1.3599591399890156,
5.924085403198156
],
[
1.3719570607469997,
4.054149575351748,
5.576931039256718
],
[
2.5... | [
[
5.358977,
0,
3.281427014877143e-16
],
[
-3.3151854542389276e-16,
5.414108715340764,
-0.08639559754512693
],
[
0,
0,
7.72494136
]
] | [
74,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.183615 | 1.5648 | 0.001333 | 14 | 14 | [
"W",
"O"
] |
mp-555726 | mp-555726 | NaClO3 | # generated using pymatgen
data_NaClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23999300
_cell_length_b 7.23999300
_cell_length_c 7.23999300
_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_NaClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23999300
_cell_length_b 7.23999300
_cell_length_c 7.23999300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.5935273861469997,
3.026469113853,
4.213523886147001
],
[
3.0264691138529995,
4.213523886147001,
0.5935273861470004
],
[
6.646465613853,
6.646465613853,
6.6464656138530005
],
[
4.213523886147001,
0.593527386147,
3.026469113853
],
[
1.92716305671... | [
[
7.239993,
0,
4.4332171266496217e-16
],
[
-4.4332171266496217e-16,
7.239993,
4.4332171266496217e-16
],
[
0,
0,
7.239993
]
] | [
11,
11,
11,
11,
17,
17,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.049259 | 5.7371 | 0.068451 | 198 | 198 | [
"Cl",
"Na",
"O"
] |
mp-675902 | mp-675902 | YCuSe2 | # generated using pymatgen
data_YCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09707969
_cell_length_b 4.09707969
_cell_length_c 6.45088300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999495
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09707969
_cell_length_b 4.09707969
_cell_length_c 6.45088300
_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,
3.3061549480960006
],
[
3.6648165973288863e-16,
2.365450001727342,
0.8114307690380003
],
[
2.0485400013665265,
1.1827250008636707,
1.539329054109002
],
[
3.6648165973288863e-16,
2.365450001727342,
4.832220986757001
]
] | [
[
4.097080002733052,
0,
1.1606083061129899e-15
],
[
-2.0485400013665256,
3.5481750025910124,
2.508737764105065e-16
],
[
0,
0,
6.450883
]
] | [
39,
29,
34,
34
] | [
1,
1,
1
] | -1.452902 | 1.1056 | 0.009755 | 156 | 156 | [
"Y",
"Cu",
"Se"
] |
mp-18863 | mp-18863 | PrCrO4 | # generated using pymatgen
data_PrCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20393175
_cell_length_b 6.20393175
_cell_length_c 6.20393175
_cell_angle_alpha 105.83990101
_cell_angle_beta 105.83990101
_cell_angle_gamma 117.00700642
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_PrCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48107600
_cell_length_b 7.48107600
_cell_length_c 6.48244400
_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
],
[
3.624056042337892,
1.2247716384357652,
1.4086010075818607
],
[
-1.064545756473588,
3.6743149153072965,
1.4086010075648794
],
[
1.2797551429321519,
2.449543276871531,
4.51056688257337
],
[
1.0963523406598281,
4.149423430202744,
... | [
[
5.968356941743631,
0,
-1.6933648674096486
],
[
-3.408846655879327,
4.899086553743062,
-1.6933648674436115
],
[
0,
0,
6.20393175
]
] | [
59,
59,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.728589 | 0.3362 | 0 | 141 | 141 | [
"Cr",
"O",
"Pr"
] |
mp-28864 | mp-28864 | Y6IrI10 | # generated using pymatgen
data_Y6IrI10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75711400
_cell_length_b 9.71145606
_cell_length_c 9.81724780
_cell_angle_alpha 107.27483253
_cell_angle_beta 96.92377384
_cell_angle_gamma 104.53352271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Y6IrI10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75711400
_cell_length_b 9.71145606
_cell_length_c 9.81724780
_cell_angle_alpha 107.27483253
_cell_angle_beta 96.92377384
_cell_angle_gamma 104.53352271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.7674309603889332,
0.37492107043892214,
7.207786487807812
],
[
4.127954762611744,
8.46401309366797,
-1.2095190418142971
],
[
6.682957664741346,
2.4693507152948713,
-0.902328395190922
],
[
-1.7875719417406692,
6.369583448812023,
6.900595841184438
],
... | [
[
7.700544531548868,
0,
-0.9351104355255568
],
[
-2.805158808548191,
8.838934164106893,
-2.8838699184809284
],
[
0,
0,
9.8172478
]
] | [
39,
39,
39,
39,
39,
39,
77,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.51178 | 0.0655 | 0 | 2 | 2 | [
"I",
"Ir",
"Y"
] |
mp-255 | mp-255 | NaHg | # generated using pymatgen
data_NaHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54550797
_cell_length_b 6.54550797
_cell_length_c 5.39605100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.20913388
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NaHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30058400
_cell_length_b 10.86628601
_cell_length_c 5.39605100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
1.3490127500000006,
1.0523802318940103,
4.979131282902882
],
[
4.04703825,
5.0075187212163845,
-0.9077492723934382
],
[
1.3490127500000004,
3.7940118360581216,
0.8984504612549047
],
[
4.04703825,
2.265887117052273,
3.1729315492545394
],
[
4.04703... | [
[
5.396051,
0,
3.3041282925929374e-16
],
[
-3.7106179280415206e-16,
6.059898953110395,
-2.474125959490557
],
[
0,
0,
6.54550797
]
] | [
11,
11,
11,
11,
80,
80,
80,
80
] | [
1,
1,
1
] | -0.247131 | 0 | 0 | 63 | 63 | [
"Na",
"Hg"
] |
mp-1223121 | mp-1223121 | La2SbO2 | # generated using pymatgen
data_La2SbO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57492840
_cell_length_b 7.57492840
_cell_length_c 7.57492840
_cell_angle_alpha 148.87394477
_cell_angle_beta 148.77049283
_cell_angle_gamma 44.67311368
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2SbO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06468000
_cell_length_b 4.07785400
_cell_length_c 14.01312400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.439340821903306,
2.5949331283410157,
1.0022966163407043
],
[
1.2643445919861909,
1.3205050021302005,
4.358352676481831
],
[
-0.1987514169812129,
3.9154381304712165,
-1.1274131882619403
],
[
2.90241680510899,
0.9783387793464513,
2.681563944917769
],
... | [
[
3.915652156900249,
0,
-1.0905465133982426
],
[
-0.30569962434262943,
3.9154381304712165,
-1.097627091341494
],
[
0,
0,
7.5749284
]
] | [
57,
57,
51,
8,
8
] | [
1,
1,
1
] | -3.037669 | 0 | 0 | 44 | 44 | [
"La",
"O",
"Sb"
] |
mp-1187691 | mp-1187691 | YbCeCd2 | # generated using pymatgen
data_YbCeCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45258241
_cell_length_b 5.45258241
_cell_length_c 5.45258241
_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_YbCeCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71111599
_cell_length_b 7.71111599
_cell_length_c 7.71111599
_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
],
[
3.148049922192117,
2.2260074474958307,
5.45258241
],
[
1.5740249610960586,
1.1130037237479153,
2.7262912050000003
],
[
4.722074883288175,
3.339011171243745,
8.178873614999999
]
] | [
[
4.722074883288176,
0,
2.726291205
],
[
1.5740249610960577,
4.45201489499166,
2.726291205
],
[
0,
0,
5.452582409999999
]
] | [
70,
58,
48,
48
] | [
1,
1,
1
] | -0.273347 | 0 | 0.0204 | 225 | 225 | [
"Cd",
"Ce",
"Yb"
] |
mp-863697 | mp-863697 | LiPm2Si | # generated using pymatgen
data_LiPm2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10916469
_cell_length_b 5.10916469
_cell_length_c 5.10916469
_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_LiPm2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22545000
_cell_length_b 7.22545000
_cell_length_c 7.22545000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9497776091056305,
2.085807750390833,
5.10916469
],
[
4.4246664136584455,
3.1287116255862495,
7.663747034999999
],
[
1.474888804552815,
1.0429038751954156,
2.5545823449999996
],
[
0,
0,
0
]
] | [
[
4.424666413658446,
0,
2.5545823449999996
],
[
1.4748888045528146,
4.171615500781666,
2.5545823449999996
],
[
0,
0,
5.10916469
]
] | [
3,
61,
61,
14
] | [
1,
1,
1
] | -0.337436 | 0 | 0 | 225 | 225 | [
"Li",
"Pm",
"Si"
] |
mp-1183490 | mp-1183490 | Ca(CuAs)2 | # generated using pymatgen
data_Ca(CuAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12585330
_cell_length_b 6.12585330
_cell_length_c 6.12585330
_cell_angle_alpha 140.84944167
_cell_angle_beta 140.84944167
_cell_angle_gamma 56.56578512
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ca(CuAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10487400
_cell_length_b 4.10487400
_cell_length_c 10.78908400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
0.6001101353461503,
2.877431629389429,
1.6876088188709557
],
[
2.778450643892894,
0.9591438764631429,
1.6876088188526692
],
[
2.103049349692149,
2.388149318552545,
-0.2117311744661127
],
[
1.2755114295468954,
1.4484261873000275,
... | [
[
3.8676208981662654,
0,
-1.3753178311564742
],
[
-0.48906011892722123,
3.836575505852572,
-1.3753178311199012
],
[
0,
0,
6.1258533
]
] | [
20,
29,
29,
33,
33
] | [
1,
1,
1
] | -0.481464 | 0 | 0.005511 | 139 | 139 | [
"As",
"Ca",
"Cu"
] |
mvc-14383 | mvc-14383 | CaCr2F12 | # generated using pymatgen
data_CaCr2F12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.42009893
_cell_length_b 5.64981008
_cell_length_c 5.71143724
_cell_angle_alpha 57.73361294
_cell_angle_beta 57.61424741
_cell_angle_gamma 57.18857914
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CaCr2F12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48519298
_cell_length_b 5.64981008
_cell_length_c 9.61321279
_cell_angle_alpha 93.21098736
_cell_angle_beta 106.14956847
_cell_angle_gamma 118.30305559
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.7634826824926817,
2.365645959433202,
1.5598608709184312
],
[
2.7646706651539983,
4.706741245099406,
7.803292687015367
],
[
2.762294699831367,
0.024550673766997242,
4.7830280736718
],
[
-1.7698644897093272,
3.6879758126694973,
6.818416621433894
],
[... | [
[
5.484655303002555,
0,
-0.07680004439755068
],
[
-2.7000175895184664,
4.731291918866404,
-1.498377700991961
],
[
0,
0,
9.466599018850303
]
] | [
20,
24,
24,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.721212 | 1.4544 | 0 | 2 | 2 | [
"Ca",
"Cr",
"F"
] |
mp-569454 | mp-569454 | CdHgAsBr | # generated using pymatgen
data_CdHgAsBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80486300
_cell_length_b 10.21266200
_cell_length_c 11.06423700
_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_CdHgAsBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80486300
_cell_length_b 10.21266200
_cell_length_c 11.06423700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.7544622156905591e-16,
2.865254238058,
0.8555863829730002
],
[
-1.7544622156905591e-16,
2.865254238058,
4.6765321170270004
],
[
-4.498989698846345e-16,
7.347407761942,
10.208650617027
],
[
-4.498989698846345e-16,
7.347407761942,
6.387704882973001
],
... | [
[
4.804863,
0,
2.9421300466457743e-16
],
[
-6.253451914536904e-16,
10.212662,
6.253451914536904e-16
],
[
0,
0,
11.064237
]
] | [
48,
48,
48,
48,
80,
80,
80,
80,
33,
33,
33,
33,
35,
35,
35,
35
] | [
1,
1,
1
] | -0.504155 | 1.9725 | 0 | 51 | 51 | [
"As",
"Br",
"Cd",
"Hg"
] |
mp-1226865 | mp-1226865 | Ce2Si2NiPt | # generated using pymatgen
data_Ce2Si2NiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75298838
_cell_length_b 7.75298838
_cell_length_c 7.75298838
_cell_angle_alpha 150.24853547
_cell_angle_beta 148.90381897
_cell_angle_gamma 43.57375764
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ce2Si2NiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98074800
_cell_length_b 4.15633200
_cell_length_c 14.39839800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.8028405764481463,
0.9885654169779833,
2.7988447175876274
],
[
0.007948035251781421,
0.008936969680504208,
0.029921909269870678
],
[
1.0072479345243919,
3.295593425292996,
3.7919788161736494
],
[
2.083862618748144,
2.34314726245271,
0.09211374068846429
... | [
[
3.8473328393795114,
0,
-1.021951398713459
],
[
-0.2959319225870532,
3.993284039546382,
-1.1140927116569346
],
[
0,
0,
7.75298838
]
] | [
58,
58,
14,
14,
28,
78
] | [
1,
1,
1
] | -0.901362 | 0 | 0.012752 | 44 | 44 | [
"Ce",
"Ni",
"Pt",
"Si"
] |
mp-28377 | mp-28377 | CsGeI3 | # generated using pymatgen
data_CsGeI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09914297
_cell_length_b 6.09914297
_cell_length_c 6.09914324
_cell_angle_alpha 88.46020556
_cell_angle_beta 88.46020556
_cell_angle_gamma 88.46019643
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsGeI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50881244
_cell_length_b 8.50881244
_cell_length_c 10.84417998
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.256330369324652,
6.094700336439804,
6.426765732744765
],
[
3.325785704385992,
3.239865233273484,
3.416386977292498
],
[
3.1804976666543285,
6.027181558143266,
3.2671405101258357
],
[
3.101822247068845,
3.021687790893889,
6.19393180724912
],
[
6... | [
[
6.096940586682615,
0,
0.16389158295245648
],
[
0.15954619481157412,
6.094852707757497,
0.16389158295245645
],
[
0,
0,
6.09914324
]
] | [
55,
32,
53,
53,
53
] | [
1,
1,
1
] | -1.072123 | 2.1992 | 0 | 160 | 160 | [
"Cs",
"Ge",
"I"
] |
mp-1247126 | mp-1247126 | Dy3Mg2VS8 | # generated using pymatgen
data_Dy3Mg2VS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82571058
_cell_length_b 7.70815932
_cell_length_c 7.82605482
_cell_angle_alpha 59.63047022
_cell_angle_beta 59.98669144
_cell_angle_gamma 59.66491356
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Dy3Mg2VS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82588270
_cell_length_b 7.82588270
_cell_length_c 18.78064607
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.468265909294478,
3.188472030438509,
7.618950873663958
],
[
6.736632414619311,
0.000006376714500046372,
7.610074757232999
],
[
1.0998452834279902,
3.1883126125760297,
1.8817611425415484
],
[
4.4817092869091235,
0.7960562846455186,
3.7747236221725826
]... | [
[
6.736717792229246,
0,
3.7459783088486747
],
[
2.1997213629550614,
6.376714499155048,
3.763574975132748
],
[
0,
0,
7.728236395636355
]
] | [
66,
66,
66,
12,
12,
23,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.903631 | 0 | 0.072314 | 166 | 166 | [
"Dy",
"Mg",
"S",
"V"
] |
mp-1207811 | mp-1207811 | Y6Co2Sn | # generated using pymatgen
data_Y6Co2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.43506690
_cell_length_b 8.43506690
_cell_length_c 8.43506690
_cell_angle_alpha 111.05871501
_cell_angle_beta 109.90755925
_cell_angle_gamma 107.46792994
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Y6Co2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.54822400
_cell_length_b 9.68745600
_cell_length_c 9.97928000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.513193154047415,
5.288902525678617,
5.690486631724001
],
[
5.303714016787253,
1.6100679260937258,
-2.659560716730066
],
[
3.0958248269220823,
5.288895626708165,
0.488232651754931
],
[
0.6946960358177549,
1.6100748250641783,
2.5426932632390042
],
[... | [
[
7.931014389828182,
0,
-2.8721706721494416
],
[
-4.140493527088345,
6.8989704517723425,
-2.531970312856624
],
[
0,
0,
8.4350669
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
27,
27,
27,
27,
50,
50
] | [
1,
1,
1
] | -0.333302 | 0 | 0.006154 | 71 | 71 | [
"Co",
"Sn",
"Y"
] |
mp-1220498 | mp-1220498 | Nb8Co2Sb4Pd | # generated using pymatgen
data_Nb8Co2Sb4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94191100
_cell_length_b 7.87519621
_cell_length_c 7.87519621
_cell_angle_alpha 95.64981112
_cell_angle_beta 108.28623623
_cell_angle_gamma 71.71376377
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Nb8Co2Sb4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.57479000
_cell_length_b 10.57479000
_cell_length_c 4.94191100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.32782957545731,
6.549442574779168,
7.409389977229272
],
[
1.6550807141173545,
0.9280631448911635,
2.7733209829690937
],
[
4.428962914577718,
2.1139656420079995,
2.4409806972913755
],
[
2.6651748162428492,
5.363540077662332,
7.778485567722425
],
[
... | [
[
4.692349023198645,
0,
1.5505950394631494
],
[
2.3461749869989705,
7.477505719670332,
0.7752976774608641
],
[
0,
0,
7.87519589568207
]
] | [
41,
41,
41,
41,
41,
41,
41,
41,
27,
27,
51,
51,
51,
51,
46
] | [
1,
1,
1
] | -0.284152 | 0 | 0.051407 | 121 | 121 | [
"Co",
"Nb",
"Pd",
"Sb"
] |
mp-865536 | mp-865536 | YbZrRh2 | # generated using pymatgen
data_YbZrRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67949126
_cell_length_b 4.67949126
_cell_length_c 4.67949126
_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_YbZrRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61780000
_cell_length_b 6.61780000
_cell_length_c 6.61780000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7017055386315,
1.9103943071355864,
4.679491259999999
],
[
0,
0,
0
],
[
4.052558307947249,
2.865591460703381,
7.019236889999998
],
[
1.3508527693157497,
0.955197153567793,
2.3397456299999995
]
] | [
[
4.05255830794725,
0,
2.33974563
],
[
1.3508527693157502,
3.8207886142711756,
2.33974563
],
[
0,
0,
4.679491259999999
]
] | [
70,
40,
45,
45
] | [
1,
1,
1
] | -0.754628 | 0 | 0 | 225 | 225 | [
"Yb",
"Zr",
"Rh"
] |
mp-24161 | mp-24161 | TiH2 | # generated using pymatgen
data_TiH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12848082
_cell_length_b 3.12848082
_cell_length_c 3.12848082
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti... | # generated using pymatgen
data_TiH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42434001
_cell_length_b 4.42434001
_cell_length_c 4.42434001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti... | [
[
0,
0,
0
],
[
2.7093438653723716,
1.9157954197709763,
4.69272123
],
[
0.9031146217907915,
0.6385984732569918,
1.5642404100000005
]
] | [
[
2.7093438653723716,
0,
1.5642404100000005
],
[
0.9031146217907898,
2.5543938930279686,
1.5642404100000002
],
[
0,
0,
3.1284808199999996
]
] | [
22,
1,
1
] | [
1,
1,
1
] | -0.602939 | 0 | 0 | 225 | 225 | [
"Ti",
"H"
] |
mp-1095074 | mp-1095074 | Ba2GdMoO6 | # generated using pymatgen
data_Ba2GdMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05501194
_cell_length_b 6.05501194
_cell_length_c 6.05501194
_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_Ba2GdMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56308001
_cell_length_b 8.56308001
_cell_length_c 8.56308001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.243794160258097,
3.707922409864918,
9.082517910000002
],
[
1.7479313867526998,
1.2359741366216412,
3.027505970000002
],
[
0,
0,
0
],
[
3.4958627735053973,
2.47194827324328,
6.05501194
],
[
2.6773624388934842,
3.6294825472583634,
4.63732... | [
[
5.243794160258097,
0,
3.027505970000001
],
[
1.7479313867526989,
4.943896546486556,
3.0275059700000004
],
[
0,
0,
6.055011939999999
]
] | [
56,
56,
64,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.999456 | 0 | 0.041126 | 225 | 225 | [
"Ba",
"Gd",
"Mo",
"O"
] |
mp-1187894 | mp-1187894 | Yb2CuPd | # generated using pymatgen
data_Yb2CuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89817534
_cell_length_b 4.89817534
_cell_length_c 4.89817534
_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_Yb2CuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92706600
_cell_length_b 6.92706600
_cell_length_c 6.92706600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.24194427663048,
2.9995075634208765,
7.347263009999998
],
[
1.413981425543493,
0.9998358544736253,
2.4490876699999986
],
[
2.8279628510869856,
1.9996717089472515,
4.898175339999998
],
[
0,
0,
0
]
] | [
[
4.2419442766304805,
0,
2.4490876699999995
],
[
1.4139814255434922,
3.9993434178945013,
2.44908767
],
[
0,
0,
4.898175339999999
]
] | [
70,
70,
29,
46
] | [
1,
1,
1
] | -0.561626 | 0 | 0.013375 | 225 | 225 | [
"Cu",
"Pd",
"Yb"
] |
mp-1025467 | mp-1025467 | Cu2SnHgS4 | # generated using pymatgen
data_Cu2SnHgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81721680
_cell_length_b 6.81721680
_cell_length_c 6.81721680
_cell_angle_alpha 131.33205737
_cell_angle_beta 131.33205737
_cell_angle_gamma 71.28603776
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cu2SnHgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61813200
_cell_length_b 5.61813200
_cell_length_c 11.08020601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.49457410673537616,
3.7581119017562266,
1.093630885032387
],
[
3.5775328629481287,
1.2527039672520752,
1.0936308854358532
],
[
2.0360534848417524,
2.505407934504151,
-2.3149775147658795
],
[
0,
0,
0
],
[
3.591968908995093,
4.419995580709402,... | [
[
5.119012241054505,
0,
-2.3149775143624134
],
[
-1.046905271371,
5.010815869008302,
-2.3149775151693452
],
[
0,
0,
6.8172168
]
] | [
29,
29,
50,
80,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.540059 | 0.1985 | 0 | 121 | 121 | [
"Cu",
"Hg",
"S",
"Sn"
] |
mp-6930 | mp-6930 | SiO2 | # generated using pymatgen
data_SiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02778205
_cell_length_b 5.02778205
_cell_length_c 5.51891800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000072
_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 5.02778205
_cell_length_b 5.02778205
_cell_length_c 5.51891800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
2.3997100685289423,
6.763233738070231e-16,
6.797825368164112e-16
],
[
1.3140359633773633,
2.2759770845676384,
1.8396393333333345
],
[
-1.1998550342644712,
2.0782099112190084,
3.6792786666666673
],
[
1.4474406169492222,
1.1072566904675574,
0.7137782216940... | [
[
5.027781995283671,
0,
1.4242547231586903e-15
],
[
-2.513890997641835,
4.354186995786646,
3.078628597171509e-16
],
[
0,
0,
5.518918
]
] | [
14,
14,
14,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.256703 | 5.6695 | 0.010476 | 154 | 154 | [
"Si",
"O"
] |
mvc-4371 | mvc-4371 | Ca2TaFeO6 | # generated using pymatgen
data_Ca2TaFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81209200
_cell_length_b 5.48028900
_cell_length_c 5.65526217
_cell_angle_alpha 89.65898486
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ca2TaFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48028900
_cell_length_b 7.81209200
_cell_length_c 5.65526217
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.34101514
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.433472337455034,
0.23779956223725401,
5.859068999999999
],
[
2.8260395243238037,
3.1963767365128963,
5.859068999999999
],
[
2.6879084755343094,
2.458785266751171,
1.953023
],
[
0.08047566240307905,
5.417362441026814,
1.9530230000000002
],
[
0.0... | [
[
5.480289,
0,
3.355709191126225e-16
],
[
0.03365899985811269,
5.655162003264068,
3.4628493574148076e-16
],
[
0,
0,
7.812092
]
] | [
20,
20,
20,
20,
73,
73,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.036555 | 1.2256 | 0.005046 | 11 | 11 | [
"Ca",
"Fe",
"O",
"Ta"
] |
mp-1106092 | mp-1106092 | Sr7Ag3 | # generated using pymatgen
data_Sr7Ag3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.33538803
_cell_length_b 11.33538803
_cell_length_c 7.35013000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000015
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr7Ag3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.33538803
_cell_length_b 11.33538803
_cell_length_c 7.35013000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.298503139840001,
3.272244660298684,
5.667694023566721
],
[
6.973568139840003,
6.544489320597369,
1.7133436422785162e-8
],
[
1.8208256545100008,
1.2322651664199384,
9.201053488751382
],
[
1.8208256545100032,
7.352213464790156,
5.66769970194207
],
[
... | [
[
7.35013,
0,
4.500656588908468e-16
],
[
3.758404044495118e-15,
9.816733980896053,
-5.667693989299847
],
[
0,
0,
11.33538803
]
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
47,
47,
47,
47,
47,
47
] | [
1,
1,
1
] | -0.210716 | 0 | 0 | 186 | 186 | [
"Ag",
"Sr"
] |
mp-30056 | mp-30056 | CsCaBr3 | # generated using pymatgen
data_CsCaBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77260800
_cell_length_b 5.77260800
_cell_length_c 5.77260800
_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_CsCaBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77260800
_cell_length_b 5.77260800
_cell_length_c 5.77260800
_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
],
[
2.886304,
2.886304,
2.8863040000000004
],
[
2.886304,
0,
2.886304
],
[
-1.7673514774831012e-16,
2.886304,
2.886304
],
[
2.886304,
2.886304,
3.5347029549662023e-16
]
] | [
[
5.772608,
0,
3.5347029549662023e-16
],
[
-3.5347029549662023e-16,
5.772608,
3.5347029549662023e-16
],
[
0,
0,
5.772608
]
] | [
55,
20,
35,
35,
35
] | [
1,
1,
1
] | -2.306552 | 4.4485 | 0 | 221 | 221 | [
"Br",
"Ca",
"Cs"
] |
mp-861610 | mp-861610 | Tc3Pd | # generated using pymatgen
data_Tc3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54806232
_cell_length_b 5.54806232
_cell_length_c 4.39337100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000378
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tc3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54806232
_cell_length_b 5.54806232
_cell_length_c 4.39337100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0983427500000003,
0.761814349557368,
1.319501259887437
],
[
1.0983427500000018,
3.28113402877209,
2.7740313764677214
],
[
1.0983427500000003,
0.761814349557368,
4.228561160631597
],
[
3.2950282500000014,
4.0429483783294575,
1.4545302170993208
],
[
... | [
[
4.393371,
0,
2.6901638663084034e-16
],
[
1.839536418575836e-15,
4.804762727886825,
-2.7740308430132408
],
[
0,
0,
5.54806232
]
] | [
43,
43,
43,
43,
43,
43,
46,
46
] | [
1,
1,
1
] | -0.078199 | 0 | 0 | 194 | 194 | [
"Tc",
"Pd"
] |
mp-1205497 | mp-1205497 | Sm3(CuSn)4 | # generated using pymatgen
data_Sm3(CuSn)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52431900
_cell_length_b 6.93886600
_cell_length_c 8.48703394
_cell_angle_alpha 114.12898320
_cell_angle_beta 105.45866187
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sm3(CuSn)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52431900
_cell_length_b 6.93886600
_cell_length_c 14.81558799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.08089569367215539,
3.9732381958859104,
0.29252032666810474
],
[
3.4953044956907853,
2.310588043542949,
4.152033709877685
],
[
0,
0,
0
],
[
2.148824672029817,
6.172062105934377,
-0.7168547727674551
],
[
1.4273755173331235,
0.1117641334944810... | [
[
4.360642762522549,
0,
-1.2059258316416914
],
[
-0.7844425731596082,
6.28382623942886,
-2.836554072820768
],
[
0,
0,
8.48703394100825
]
] | [
62,
62,
62,
29,
29,
29,
29,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.526168 | 0 | 0 | 71 | 71 | [
"Cu",
"Sm",
"Sn"
] |
mp-36252 | mp-36252 | Nd5CuSe8 | # generated using pymatgen
data_Nd5CuSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70051197
_cell_length_b 7.70051197
_cell_length_c 7.70051197
_cell_angle_alpha 110.31459797
_cell_angle_beta 110.31459797
_cell_angle_gamma 107.79732210
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Nd5CuSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.79899600
_cell_length_b 8.79899600
_cell_length_c 9.07451800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.4019723595802733,
5.579221868568213,
1.4581571246047171
],
[
3.5766941333719044,
1.512255671337008,
-1.318066512573796
],
[
4.9244745802810055,
2.395863511080018,
2.6187154085727067
],
[
0.8192222261595338,
4.737742030964538,
-1.1768338366180242
],
... | [
[
7.221544059811959,
0,
-2.6734221477993696
],
[
-3.7220664049952608,
6.316989374619385,
-2.3536676736244524
],
[
0,
0,
7.70051197
]
] | [
60,
60,
60,
60,
60,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.901268 | 1.0482 | 0.065999 | 82 | 82 | [
"Cu",
"Nd",
"Se"
] |
mp-1207393 | mp-1207393 | Zr3Ga5 | # generated using pymatgen
data_Zr3Ga5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71475071
_cell_length_b 5.71475071
_cell_length_c 9.10288600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.47497057
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Zr3Ga5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15594000
_cell_length_b 8.91212800
_cell_length_c 9.10288600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.1934074047138886,
4.433329661885077,
9.102886
],
[
4.286882275377497,
1.1464984396860156,
9.102886
],
[
4.286882275377497,
1.1464984396860156,
4.551443
],
[
0.1934074047138886,
4.433329661885077,
4.551443
],
[
2.853536819857324,
3.553842736... | [
[
5.71475071,
0,
3.499275582463282e-16
],
[
-1.2344610299086143,
5.579828101571093,
3.499275582463282e-16
],
[
0,
0,
9.102886
]
] | [
40,
40,
40,
40,
40,
40,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.602183 | 0 | 0 | 63 | 63 | [
"Ga",
"Zr"
] |
mp-1208033 | mp-1208033 | TlPt3O4 | # generated using pymatgen
data_TlPt3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94247903
_cell_length_b 6.94247903
_cell_length_c 6.94247903
_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_TlPt3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.81814800
_cell_length_b 9.81814800
_cell_length_c 9.81814800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.008242136813832,
2.8342551955787187,
6.942479030000002
],
[
0,
0,
0
],
[
3.0061816026103743,
7.004352256472903e-16,
5.206859272500001
],
[
1.002060534203458,
2.834255195578718,
1.7356197575000012
],
[
3.0061816026103743,
7.004352256472903e-... | [
[
6.012363205220748,
0,
3.471239515000001
],
[
2.0041210684069157,
5.668510391157435,
3.4712395150000006
],
[
0,
0,
6.942479029999999
]
] | [
81,
81,
78,
78,
78,
78,
78,
78,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.883001 | 1.4657 | 0 | 225 | 225 | [
"O",
"Pt",
"Tl"
] |
mp-1025411 | mp-1025411 | CeSi2Rh | # generated using pymatgen
data_CeSi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.68361625
_cell_length_b 8.68361625
_cell_length_c 4.15908800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.99930509
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeSi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20161600
_cell_length_b 16.85132599
_cell_length_c 4.15908800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.119316,
1.6071535496924414,
6.445774292075519
],
[
1.0397720000000004,
2.469650332648191,
1.2213543283531492
],
[
3.1193159999999995,
0.1509518173514276,
0.6054190303173638
],
[
1.0397720000000006,
3.925852064989205,
7.061709590111306
],
[
3.11... | [
[
4.159088,
0,
2.546706903286083e-16
],
[
6.556000661481614e-16,
4.076803882340632,
-1.016487629571331
],
[
0,
0,
8.68361625
]
] | [
58,
58,
14,
14,
14,
14,
45,
45
] | [
1,
1,
1
] | -0.888499 | 0 | 0.020622 | 63 | 63 | [
"Ce",
"Rh",
"Si"
] |
mp-1079491 | mp-1079491 | LiIn2CuSe4 | # generated using pymatgen
data_LiIn2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25588695
_cell_length_b 7.25588695
_cell_length_c 7.25588695
_cell_angle_alpha 131.57394366
_cell_angle_beta 131.57394366
_cell_angle_gamma 70.90277468
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_LiIn2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95172000
_cell_length_b 5.95172000
_cell_length_c 11.82140600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.5337663263423659,
3.986986317754727,
1.1869620207584428
],
[
2.1652204297075013,
2.6579908785031514,
-2.4409814543917614
],
[
3.796674533072638,
1.3289954392515757,
1.1869620204580311
],
[
0,
0,
0
],
[
3.3402220696861993,
0.5768797083068101... | [
[
5.428128636437773,
0,
-2.4409814546921753
],
[
-1.0976877770227695,
5.315981757006302,
-2.4409814540913506
],
[
0,
0,
7.25588695
]
] | [
3,
49,
49,
29,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.883619 | 0.0001 | 0.003922 | 82 | 82 | [
"Cu",
"In",
"Li",
"Se"
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.