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-1184096 | mp-1184096 | Er2CdHg | # generated using pymatgen
data_Er2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24840109
_cell_length_b 5.24840109
_cell_length_c 5.24840109
_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_Er2CdHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42236000
_cell_length_b 7.42236000
_cell_length_c 7.42236000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.515082891063312,
1.0713253863305863,
2.624200545
],
[
4.5452486731899375,
3.2139761589917626,
7.8726016350000005
],
[
3.030165782126625,
2.1426507726611748,
5.24840109
],
[
0,
0,
0
]
] | [
[
4.5452486731899375,
0,
2.6242005450000003
],
[
1.5150828910633127,
4.28530154532235,
2.6242005450000003
],
[
0,
0,
5.24840109
]
] | [
68,
68,
48,
80
] | [
1,
1,
1
] | -0.39002 | 0 | 0.011055 | 225 | 225 | [
"Cd",
"Er",
"Hg"
] |
mp-1101109 | mp-1101109 | Ti2As4W3 | # generated using pymatgen
data_Ti2As4W3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36294609
_cell_length_b 14.10465889
_cell_length_c 10.27788732
_cell_angle_alpha 43.14942011
_cell_angle_beta 70.89204719
_cell_angle_gamma 76.20056798
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ti2As4W3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.67892136
_cell_length_b 9.67892136
_cell_length_c 3.36294609
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.00016133917450660888,
6.02023605299185,
3.041353706009104
],
[
1.6821620666648238,
7.811076449064361,
8.524866867632225
],
[
1.6809455042997654,
1.8351454934545008,
1.1994910214137282
],
[
3.3629462317900813,
3.625985889527013,
6.683004183036853
],
... | [
[
3.362946049315728,
0,
-0.0005231042202927491
],
[
0.00016152164886033,
9.646221942518862,
0.01326933565335775
],
[
0,
0,
9.711611657612892
]
] | [
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22,
22,
22,
33,
33,
33,
33,
33,
33,
33,
33,
74,
74,
74,
74,
74,
74
] | [
1,
1,
1
] | -0.426349 | 0 | 0.012602 | 84 | 84 | [
"As",
"Ti",
"W"
] |
mp-27252 | mp-27252 | TlCdI3 | # generated using pymatgen
data_TlCdI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49742100
_cell_length_b 10.39580700
_cell_length_c 16.63770400
_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_TlCdI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49742100
_cell_length_b 10.39580700
_cell_length_c 16.63770400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1243552499999998,
4.705111060779,
2.917354845584
],
[
3.37306575,
5.6906959392209995,
13.720349154416
],
[
1.1243552499999994,
9.903014560778999,
5.401497154416001
],
[
3.3730657500000003,
0.49279243922099997,
11.236206845584
],
[
1.12435525,
... | [
[
4.497421,
0,
2.753876116034044e-16
],
[
-6.365595883551824e-16,
10.395807,
6.365595883551824e-16
],
[
0,
0,
16.637704
]
] | [
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81,
81,
81,
48,
48,
48,
48,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.835741 | 2.4254 | 0.016616 | 62 | 62 | [
"Cd",
"I",
"Tl"
] |
mp-1567921 | mp-1567921 | Ca3CoO6 | # generated using pymatgen
data_Ca3CoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35115211
_cell_length_b 6.35193392
_cell_length_c 6.38829291
_cell_angle_alpha 87.83337605
_cell_angle_beta 88.13096859
_cell_angle_gamma 88.12449278
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca3CoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.17744584
_cell_length_b 8.83680879
_cell_length_c 6.35115211
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.59952034
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5351121429821304,
0.6557656356117202,
4.881758052188929
],
[
0.8109716358216226,
4.761120912152335,
2.753038647804218
],
[
1.7140023140782015,
3.820207234106069,
5.91960299671456
],
[
4.013958360618622,
5.703994959199452,
1.9400263826360504
],
[
... | [
[
6.347773236429627,
0,
0.207142615666589
],
[
0.2001600027742215,
6.344236248710578,
0.24013937178796813
],
[
0,
0,
6.38829291
]
] | [
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20,
20,
20,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.297989 | 0.0028 | 0.048429 | 9 | 9 | [
"Ca",
"Co",
"O"
] |
mp-1102897 | mp-1102897 | EuZnPd | # generated using pymatgen
data_EuZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57320300
_cell_length_b 7.23927900
_cell_length_c 7.81607900
_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_EuZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57320300
_cell_length_b 7.23927900
_cell_length_c 7.81607900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.14330075,
0.094306087533,
2.3884374208200003
],
[
1.1433007499999999,
3.713945587533,
1.5196020791800005
],
[
3.42990225,
7.144972912467,
5.427641579180001
],
[
3.4299022500000005,
3.525333412467,
6.29647692082
],
[
1.1433007499999999,
4.82... | [
[
4.573203,
0,
2.800279207900537e-16
],
[
-4.432779927742326e-16,
7.239279,
4.432779927742326e-16
],
[
0,
0,
7.816079
]
] | [
63,
63,
63,
63,
30,
30,
30,
30,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.6347 | 0 | 0 | 62 | 62 | [
"Eu",
"Pd",
"Zn"
] |
mp-556405 | mp-556405 | LaCN2F | # generated using pymatgen
data_LaCN2F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80140634
_cell_length_b 4.80140634
_cell_length_c 7.86634900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 132.10196860
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaCN2F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89800800
_cell_length_b 8.77607800
_cell_length_c 7.86634900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9490039991781558,
2.4381348848539868,
5.899761750000001
],
[
-6.480093487430402e-16,
1.9499041137169864,
1.9665872500000003
],
[
1.949003999178156,
1.648207492586659e-16,
3.9331745000000002
],
[
1.949003999178156,
1.648207492586659e-16,
5.5210789845076... | [
[
3.898007998356312,
0,
1.1042157969015315e-15
],
[
-1.9490039991781565,
4.3880389985709725,
2.940013452843404e-16
],
[
0,
0,
7.866349
]
] | [
57,
57,
6,
6,
7,
7,
7,
7,
9,
9
] | [
1,
1,
1
] | -1.92314 | 2.9203 | 0 | 63 | 63 | [
"C",
"F",
"La",
"N"
] |
mp-1112942 | mp-1112942 | Cs2PrAgI6 | # generated using pymatgen
data_Cs2PrAgI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75570588
_cell_length_b 8.75570588
_cell_length_c 8.75570588
_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_Cs2PrAgI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.38243800
_cell_length_b 12.38243800
_cell_length_c 12.38243800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.527554573381594,
1.7872509786571955,
4.377852939999997
],
[
7.582663720144783,
5.361752935971589,
13.13355882
],
[
5.055109146763189,
3.574501957314393,
8.755705879999999
],
[
0,
0,
0
],
[
3.77541837647838,
5.38425800029484,
6.539216447... | [
[
7.582663720144785,
0,
4.3778529399999995
],
[
2.5275545733815927,
7.149003914628786,
4.37785294
],
[
0,
0,
8.755705879999999
]
] | [
55,
55,
59,
47,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.466831 | 2.785 | 0.006615 | 225 | 225 | [
"Ag",
"Cs",
"I",
"Pr"
] |
mp-1220746 | mp-1220746 | Nb2Ni3Ge | # generated using pymatgen
data_Nb2Ni3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91391096
_cell_length_b 4.91391096
_cell_length_c 7.80119200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001292
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nb2Ni3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91391096
_cell_length_b 4.91391096
_cell_length_c 7.80119200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.4569550001916354,
1.4185240001040764,
4.375985038096001
],
[
2.896875332490777e-16,
2.837048000208153,
3.4252069619039998
],
[
2.896875332490777e-16,
2.837048000208153,
0.4753890380960002
],
[
2.4569550001916354,
1.4185240001040764,
7.325802961904001
... | [
[
4.913910000383271,
0,
1.391997412335641e-15
],
[
-2.4569550001916367,
4.25557200031223,
3.008902664229549e-16
],
[
0,
0,
7.801192
]
] | [
41,
41,
41,
41,
28,
28,
28,
28,
28,
28,
32,
32
] | [
1,
1,
1
] | -0.334022 | 0 | 0.053879 | 194 | 194 | [
"Ge",
"Nb",
"Ni"
] |
mp-1217838 | mp-1217838 | TaTiSbO6 | # generated using pymatgen
data_TaTiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89873100
_cell_length_b 5.56348994
_cell_length_c 8.69563782
_cell_angle_alpha 91.30547352
_cell_angle_beta 106.29305931
_cell_angle_gamma 90.37934920
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TaTiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89873100
_cell_length_b 5.56348994
_cell_length_c 8.69563782
_cell_angle_alpha 91.30547352
_cell_angle_beta 106.29305931
_cell_angle_gamma 90.37934920
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.6903597160282646,
4.571297674490093,
4.752219597375436
],
[
1.9362102835967563,
0.9902367692407137,
2.4423249944052463
],
[
4.359315393244834,
3.755031264183722,
1.6399674234415003
],
[
0.2672546063801872,
1.8065031795470843,
5.554577168339183
],
[... | [
[
4.701994457050263,
0,
-1.3743411280426734
],
[
-0.07542445742524223,
5.561534443730806,
-0.12675210017664384
],
[
0,
0,
8.69563782
]
] | [
73,
73,
22,
22,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.952946 | 2.4483 | 0.019978 | 2 | 2 | [
"O",
"Sb",
"Ta",
"Ti"
] |
mp-1188071 | mp-1188071 | ZrI4 | # generated using pymatgen
data_ZrI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03151554
_cell_length_b 8.18471467
_cell_length_c 16.94127582
_cell_angle_alpha 90.27327426
_cell_angle_beta 95.21683355
_cell_angle_gamma 91.07595314
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_ZrI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03151554
_cell_length_b 8.18471467
_cell_length_c 16.94127582
_cell_angle_alpha 90.27327426
_cell_angle_beta 95.21683355
_cell_angle_gamma 91.07595314
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
3.04973084570291,
1.319450971077186,
4.909598996812003
],
[
4.79063719907903,
6.863655624194221,
11.262371283981476
],
[
0.9429694003808159,
7.171601983641115,
1.7113017655664247
],
[
6.897382647907492,
1.0115046116302917,
14.460669975760855
],
[
... | [
[
7.998246815678815,
0,
-0.7302668996642072
],
[
-0.1578946094958975,
8.183098412172995,
-0.039037139971375916
],
[
0,
0,
16.94127582
]
] | [
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40,
40,
40,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.202447 | 2.0222 | 0.025424 | 2 | 2 | [
"I",
"Zr"
] |
mp-1214016 | mp-1214016 | Ca5Sn3 | # generated using pymatgen
data_Ca5Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68557436
_cell_length_b 9.68557436
_cell_length_c 9.68557436
_cell_angle_alpha 130.37280278
_cell_angle_beta 130.37280278
_cell_angle_gamma 72.81147762
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca5Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.12944200
_cell_length_b 8.12944200
_cell_length_c 15.59056600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.503942396143469,
6.979341769066939,
-3.3257277757528154
],
[
1.29758021207845,
0.2290018690389873,
6.187976560250269
],
[
2.9544370537605484,
2.28763272864566,
0.08593501208729461
],
[
1.0524692955539428,
5.891804547698621,
-1.1051719938663556
],
[... | [
[
7.378914843959435,
0,
-3.4116627874568626
],
[
-1.5773922357375154,
7.2083436381059265,
-3.411662788045685
],
[
0,
0,
9.68557436
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.64571 | 0 | 0.007841 | 140 | 140 | [
"Ca",
"Sn"
] |
mp-2721 | mp-2721 | Ce2O3 | # generated using pymatgen
data_Ce2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83113591
_cell_length_b 3.83113591
_cell_length_c 6.07096600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999848
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ce2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83113591
_cell_length_b 3.83113591
_cell_length_c 6.07096600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.1579538149072985e-16,
2.2119073320011715,
1.4927291200800012
],
[
1.9155679990097747,
1.1059536660005855,
4.578236879920001
],
[
-2.1579538149072985e-16,
2.2119073320011715,
3.9010934742120007
],
[
1.9155679990097747,
1.1059536660005855,
2.16987252578... | [
[
3.8311359980195494,
0,
1.0852725009479585e-15
],
[
-1.915567999009775,
3.317860998001757,
2.345894164639991e-16
],
[
0,
0,
6.070966
]
] | [
58,
58,
8,
8,
8
] | [
1,
1,
1
] | -3.725597 | 0 | 0.044198 | 164 | 164 | [
"Ce",
"O"
] |
mp-1103182 | mp-1103182 | ZnNi3B2 | # generated using pymatgen
data_ZnNi3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88905800
_cell_length_b 4.95286518
_cell_length_c 8.43742075
_cell_angle_alpha 100.80966611
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.95707784
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_ZnNi3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.47506400
_cell_length_b 2.88905800
_cell_length_c 8.43742075
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.30732622
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.0000014445230164751035,
1.28581607139273,
4.175024109100191
],
[
1.4445304445446345,
3.359758517338262,
3.333501490726896
],
[
9.467384061788359e-12,
2.034464353090496,
1.7073932031036247
],
[
1.4445290000121507,
2.611110235640496,
5.801132396723461
... | [
[
2.889058,
0,
1.769037816125527e-16
],
[
-1.4445289999783817,
4.645574588730992,
-0.9288951501729132
],
[
0,
0,
8.43742075
]
] | [
30,
30,
28,
28,
28,
28,
28,
28,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.285761 | 0 | 0 | 12 | 12 | [
"B",
"Ni",
"Zn"
] |
mp-1207632 | mp-1207632 | YCoSi | # generated using pymatgen
data_YCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14507800
_cell_length_b 6.82455100
_cell_length_c 7.10463100
_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_YCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14507800
_cell_length_b 6.82455100
_cell_length_c 7.10463100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
3.1088085,
0.070552208238,
2.17984288342
],
[
1.0362694999999995,
6.753998791762,
4.924788116580001
],
[
1.0362694999999997,
3.341723291762,
5.732158383420001
],
[
3.1088085,
3.4828277082379997,
1.3724726165800003
],
[
3.1088084999999994,
5.7... | [
[
4.145078,
0,
2.538128252458056e-16
],
[
-4.178832268883934e-16,
6.824551,
4.178832268883934e-16
],
[
0,
0,
7.104631
]
] | [
39,
39,
39,
39,
27,
27,
27,
27,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.695051 | 0 | 0 | 62 | 62 | [
"Co",
"Si",
"Y"
] |
mp-862331 | mp-862331 | La2CuRu | # generated using pymatgen
data_La2CuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07031342
_cell_length_b 5.07031342
_cell_length_c 5.07031342
_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_La2CuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17050600
_cell_length_b 7.17050600
_cell_length_c 7.17050600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.3910202268691565,
3.1049201787464744,
7.60547013
],
[
1.463673408956386,
1.034973392915493,
2.5351567100000016
],
[
2.9273468179127717,
2.069946785830984,
5.070313420000001
],
[
0,
0,
0
]
] | [
[
4.391020226869157,
0,
2.5351567100000003
],
[
1.4636734089563848,
4.139893571661965,
2.53515671
],
[
0,
0,
5.070313419999999
]
] | [
57,
57,
29,
44
] | [
1,
1,
1
] | -0.179629 | 0 | 0.051675 | 225 | 225 | [
"Cu",
"La",
"Ru"
] |
mp-9568 | mp-9568 | Li3Ga2 | # generated using pymatgen
data_Li3Ga2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25951630
_cell_length_b 5.25951630
_cell_length_c 5.25951529
_cell_angle_alpha 49.07554908
_cell_angle_beta 49.07554908
_cell_angle_gamma 49.07555562
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3Ga2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36848152
_cell_length_b 4.36848152
_cell_length_c 13.84599889
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.3056762262426904,
2.174916055082968,
3.2780407405848218
],
[
2.2411419713895127,
1.4745230088173469,
5.609872776011558
],
[
1.11269173044502,
0.732077476218403,
2.8221956727332342
],
[
4.434126467187183,
2.917361587681912,
... | [
[
3.973953717964328,
0,
1.8141991132981905
],
[
1.5728644796678752,
3.649439063900315,
1.8141991132981905
],
[
0,
0,
5.25951529
]
] | [
3,
3,
3,
31,
31
] | [
1,
1,
1
] | -0.32616 | 0 | 0 | 166 | 166 | [
"Li",
"Ga"
] |
mp-1226322 | mp-1226322 | Cr4InAgSe8 | # generated using pymatgen
data_Cr4InAgSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67412666
_cell_length_b 7.67412666
_cell_length_c 7.67412666
_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_Cr4InAgSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.85285400
_cell_length_b 10.85285400
_cell_length_c 10.85285400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.285280792232576,
3.8914548620707237,
7.67412666
],
[
5.503341597314496,
3.8914548620707246,
9.53207493208263
],
[
5.503341597314496,
3.8914548620707246,
5.816178387917368
],
[
4.43065466228719,
0.8574380386786364,
7.67412666
],
[
0,
0,
... | [
[
6.645988639419427,
0,
3.8370633299999994
],
[
2.2153295464731406,
6.265898179496311,
3.837063329999999
],
[
0,
0,
7.67412666
]
] | [
24,
24,
24,
24,
49,
47,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.783852 | 0.1813 | 0 | 216 | 216 | [
"Ag",
"Cr",
"In",
"Se"
] |
mp-1147637 | mp-1147637 | La2Cu2O5 | # generated using pymatgen
data_La2Cu2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66076300
_cell_length_b 6.66076300
_cell_length_c 5.59504300
_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_La2Cu2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66076300
_cell_length_b 6.66076300
_cell_length_c 5.59504300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7975214999999998,
4.888054213654001,
0.7382789709200005
],
[
5.595043,
5.92248402908,
4.8880542136540015
],
[
2.7975215,
1.772708786346,
5.9224840290800005
],
[
5.595043,
0.7382789709199999,
1.7727087863460007
],
[
5.595043,
3.927026006488,... | [
[
5.595043,
0,
3.4259757505209024e-16
],
[
-4.078541043914561e-16,
6.660763,
4.078541043914561e-16
],
[
0,
0,
6.660763
]
] | [
57,
57,
57,
57,
29,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.537763 | 0 | 0.037894 | 84 | 84 | [
"Cu",
"La",
"O"
] |
mp-1185034 | mp-1185034 | Li2CdIn | # generated using pymatgen
data_Li2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73698328
_cell_length_b 4.73698328
_cell_length_c 4.73698328
_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_Li2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69910600
_cell_length_b 6.69910600
_cell_length_c 6.69910600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.102347857782135,
2.9007979890238538,
7.10547492
],
[
1.3674492859273786,
0.9669326630079526,
2.3684916400000016
],
[
2.734898571854757,
1.9338653260159024,
4.7369832800000005
],
[
0,
0,
0
]
] | [
[
4.102347857782134,
0,
2.3684916400000002
],
[
1.3674492859273781,
3.867730652031805,
2.3684916400000002
],
[
0,
0,
4.73698328
]
] | [
3,
3,
48,
49
] | [
1,
1,
1
] | -0.274833 | 0 | 0.015144 | 225 | 225 | [
"Cd",
"In",
"Li"
] |
mvc-3976 | mvc-3976 | Ca2AgSbO6 | # generated using pymatgen
data_Ca2AgSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72052300
_cell_length_b 5.82081800
_cell_length_c 6.08640106
_cell_angle_alpha 78.18479502
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ca2AgSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82081800
_cell_length_b 7.72052300
_cell_length_c 6.08640106
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.81520498
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.344411689990948,
3.4195876424287857,
1.9301307500000005
],
[
2.2301803097215056,
2.5378613602380793,
5.79039225
],
[
0.1721983820301014,
0.24653115462836023,
1.93013075
],
[
4.402393617682352,
5.7109178480385046,
5.790392250000001
],
[
2.910409... | [
[
5.820818,
0,
3.564223066059649e-16
],
[
-1.2462260002875467,
5.957449002666865,
3.726845788228029e-16
],
[
0,
0,
7.720523
]
] | [
20,
20,
20,
20,
47,
47,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.184412 | 0.5704 | 0.044388 | 11 | 11 | [
"Ag",
"Ca",
"O",
"Sb"
] |
mp-769855 | mp-769855 | SrCrO3 | # generated using pymatgen
data_SrCrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53731143
_cell_length_b 5.53731143
_cell_length_c 9.28272600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.38117357
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrCrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58902400
_cell_length_b 9.56086200
_cell_length_c 9.28272600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.018128365273972505,
3.2284577609519105,
6.9620445
],
[
2.820601294135749,
4.825060642024552,
4.641363000000001
],
[
2.820601294135749,
4.825060642024552,
6.781230374879399e-16
],
[
2.8043035045933986,
1.5997343548237366,
2.3206815000000005
],
[
... | [
[
5.537311430000001,
0,
3.390625359315777e-16
],
[
-2.716701674034984,
4.825075117249903,
3.3906253593157764e-16
],
[
0,
0,
9.282726
]
] | [
38,
38,
38,
38,
24,
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.574668 | 0.788 | 0.07022 | 40 | 40 | [
"Cr",
"O",
"Sr"
] |
mp-676605 | mp-676605 | Y6O5F8 | # generated using pymatgen
data_Y6O5F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51677900
_cell_length_b 5.57779660
_cell_length_c 8.72576484
_cell_angle_alpha 74.91103437
_cell_angle_beta 88.46541574
_cell_angle_gamma 89.24629249
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y6O5F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51677900
_cell_length_b 5.57779660
_cell_length_c 8.72576484
_cell_angle_alpha 74.91103437
_cell_angle_beta 88.46541574
_cell_angle_gamma 89.24629249
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2164157514329361,
5.023982550796605,
7.0820765262934975
],
[
1.0814133934416592,
3.1309248278949204,
3.830940934870389
],
[
4.3935724057835195,
3.933723304083776,
1.201973737120543
],
[
1.212112892502691,
1.0766934765275487,
0.5206340643056367
],
[... | [
[
5.514800364290655,
0,
0.1477412496923025
],
[
0.034499203666716015,
5.385379192250992,
1.4520040191363015
],
[
0,
0,
8.72576484
]
] | [
39,
39,
39,
39,
39,
39,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -4.231789 | 5.0322 | 0.039172 | 1 | 1 | [
"F",
"O",
"Y"
] |
mp-1189172 | mp-1189172 | MgHOF | # generated using pymatgen
data_MgHOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12726800
_cell_length_b 4.72566500
_cell_length_c 10.21859100
_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_MgHOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12726800
_cell_length_b 4.72566500
_cell_length_c 10.21859100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3454509999999993,
4.67183967565,
6.456432788712
],
[
2.3454509999999997,
2.41665782435,
1.3471372887120003
],
[
0.781817,
0.05382532435000001,
3.762158211288
],
[
0.7818169999999999,
2.30900717565,
8.871453711288
],
[
2.3454509999999997,
2.... | [
[
3.127268,
0,
1.9148993731379724e-16
],
[
-2.8936352580463387e-16,
4.725665,
2.8936352580463387e-16
],
[
0,
0,
10.218591
]
] | [
12,
12,
12,
12,
1,
1,
1,
1,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.705674 | 4.742 | 0 | 62 | 62 | [
"F",
"H",
"Mg",
"O"
] |
mp-1225058 | mp-1225058 | Er2AlFe3 | # generated using pymatgen
data_Er2AlFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15529193
_cell_length_b 5.15529193
_cell_length_c 5.15529195
_cell_angle_alpha 60.28040174
_cell_angle_beta 60.28040174
_cell_angle_gamma 60.28040178
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Er2AlFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17712600
_cell_length_b 5.17712600
_cell_length_c 12.60100843
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.252770236388328,
1.5963403411556591,
3.879955716282456
],
[
3.708327152390879,
2.627765644247448,
6.386867555491016
],
[
0,
0,
0
],
[
2.2385875440864105,
2.869179252014403e-17,
6.433174780443368
],
[
0.7419611503031931,
2.1120529927015537,
... | [
[
4.477175088172821,
0,
2.5557656608867365
],
[
1.4839223006063862,
4.224105985403107,
2.5557656608867365
],
[
0,
0,
5.15529195
]
] | [
68,
68,
13,
26,
26,
26
] | [
1,
1,
1
] | -0.212947 | 0 | 0.007627 | 166 | 166 | [
"Al",
"Er",
"Fe"
] |
mp-1213726 | mp-1213726 | CrFeCoSi | # generated using pymatgen
data_CrFeCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96389212
_cell_length_b 3.96389212
_cell_length_c 3.96389212
_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_CrFeCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60579000
_cell_length_b 5.60579000
_cell_length_c 5.60579000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.4328312737809554,
2.427378272359767,
5.945838180000001
],
[
0,
0,
0
],
[
2.2885541825206372,
1.6182521815731785,
3.9638921200000006
],
[
1.1442770912603188,
0.80912609078659,
1.9819460600000016
]
] | [
[
3.4328312737809554,
0,
1.9819460599999998
],
[
1.1442770912603184,
3.2365043631463557,
1.9819460600000005
],
[
0,
0,
3.96389212
]
] | [
24,
26,
27,
14
] | [
1,
1,
1
] | -0.274621 | 0 | 0.073896 | 216 | 216 | [
"Co",
"Cr",
"Fe",
"Si"
] |
mp-18881 | mp-18881 | KCr4O8 | # generated using pymatgen
data_KCr4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19296529
_cell_length_b 7.19296529
_cell_length_c 7.19296529
_cell_angle_alpha 92.50468430
_cell_angle_beta 92.50468430
_cell_angle_gamma 155.86686320
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KCr4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.94763401
_cell_length_b 9.94763401
_cell_length_c 3.00735000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4704518747928408,
3.480195626436949e-18,
7.507305540205952
],
[
0.7539389082238831,
1.290830649824841,
3.6661153879040294
],
[
3.65741671761966,
5.743208812580019,
4.469870653027002
],
[
2.671058185889852,
3.606534917400994,
1.8909907388751626
],
[... | [
[
2.9409037495856816,
0,
0.6286805004119015
],
[
1.4704518762578613,
7.03403946240486,
0.31434025051912995
],
[
0,
0,
7.192965290000001
]
] | [
19,
24,
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.149664 | 0.0735 | 0.032879 | 87 | 87 | [
"Cr",
"K",
"O"
] |
mp-1226405 | mp-1226405 | Cr4CuNiSe8 | # generated using pymatgen
data_Cr4CuNiSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30674367
_cell_length_b 7.30674367
_cell_length_c 7.30674367
_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_Cr4CuNiSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.33329599
_cell_length_b 10.33329599
_cell_length_c 10.33329599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
3.174729181869691,
2.244872532930878,
9.11469509673012
],
[
3.174729181869693,
2.2448725329308785,
5.49879224326988
],
[
4.218550424774095,
5.197244849747973,
7.30674367
],
[
6.306192910582901,
2.244872532930878,
7.306743670000001
],
[
0,
0,
... | [
[
6.327825637161141,
0,
3.653371835000001
],
[
2.1092752123870473,
5.965931224270304,
3.6533718350000006
],
[
0,
0,
7.3067436699999995
]
] | [
24,
24,
24,
24,
29,
28,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.743853 | 0 | 0 | 216 | 216 | [
"Cr",
"Cu",
"Ni",
"Se"
] |
mp-27545 | mp-27545 | VH2O3 | # generated using pymatgen
data_VH2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81532740
_cell_length_b 5.76549939
_cell_length_c 5.72317353
_cell_angle_alpha 65.15646042
_cell_angle_beta 70.52439072
_cell_angle_gamma 70.67405349
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VH2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.79142726
_cell_length_b 3.81532740
_cell_length_c 6.18618625
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.46902766
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9155686651715853,
3.7935067106825646,
3.956769422949476
],
[
1.8631293585775959,
1.264488748906296,
5.474758213086622
],
[
0.5478057520185138,
1.0815511691238857,
1.9676559493737684
],
[
2.245918980854515,
1.4473403427658926,
2.8895804003359036
],
... | [
[
3.6004955861894596,
0,
1.262202322538262
],
[
1.1782024375597222,
5.05799545958886,
2.4040837031433466
],
[
0,
0,
5.765247375601865
]
] | [
23,
23,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.860118 | 1.7538 | 0.020835 | 15 | 15 | [
"H",
"O",
"V"
] |
mp-754832 | mp-754832 | Li3Co5OF11 | # generated using pymatgen
data_Li3Co5OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18107840
_cell_length_b 5.55201544
_cell_length_c 9.36411245
_cell_angle_alpha 86.27992939
_cell_angle_beta 72.51940916
_cell_angle_gamma 116.90830893
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Li3Co5OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18107840
_cell_length_b 5.55201544
_cell_length_c 9.24030951
_cell_angle_alpha 71.36697011
_cell_angle_beta 75.14956494
_cell_angle_gamma 63.09169107
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.153183671517132,
0.16274848305179815,
0.1403404187895142
],
[
2.4588967493928795,
2.6589827399695123,
7.6117589771185425
],
[
5.091831972559083,
2.471396175332562,
3.0732180654642844
],
[
5.185732120942503,
4.674217360507196,
6.197742155136197
],
[... | [
[
5.180431045443133,
0,
0.08189975796991499
],
[
2.4879738045657773,
4.705073230754484,
1.5802365921058956
],
[
0,
0,
9.133751811432871
]
] | [
3,
3,
3,
27,
27,
27,
27,
27,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.434888 | 2.6076 | 0.05431 | 1 | 1 | [
"Co",
"F",
"Li",
"O"
] |
mp-1217187 | mp-1217187 | Ti3Fe(CuS4)2 | # generated using pymatgen
data_Ti3Fe(CuS4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96987338
_cell_length_b 6.96987338
_cell_length_c 6.96987338
_cell_angle_alpha 60.01783454
_cell_angle_beta 60.01783454
_cell_angle_gamma 60.01783305
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ti3Fe(CuS4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97175208
_cell_length_b 6.97175208
_cell_length_c 17.07033193
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
5.030253246360692,
5.69215591108032,
8.709523179342414
],
[
4.024419592450267,
2.8460779555401605,
10.45293103956161
],
[
1.0058336539104251,
2.84607795554016,
5.226465519780804
],
[
4.024419592450267,
2.8460779555401605,
6.96799434956161
],
[
7.... | [
[
6.0371718770796825,
0,
3.4830576595616094
],
[
2.0116673078208502,
5.69215591108032,
3.4830576595616094
],
[
0,
0,
6.96987338
]
] | [
22,
22,
22,
26,
29,
29,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.22256 | 0 | 0.041828 | 166 | 166 | [
"Cu",
"Fe",
"S",
"Ti"
] |
mp-11677 | mp-11677 | Sr3(SiAs2)2 | # generated using pymatgen
data_Sr3(SiAs2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68894086
_cell_length_b 9.68894086
_cell_length_c 7.45636913
_cell_angle_alpha 75.06128694
_cell_angle_beta 75.06128694
_cell_angle_gamma 122.66139600
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sr3(SiAs2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.29660600
_cell_length_b 17.00221800
_cell_length_c 7.45636913
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.50202984
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
5.637829900398682,
0.41959823938426277,
-0.5624580555353619
],
[
-1.657714430272935,
6.700321659216894,
5.791319926970352
],
[
3.5338769696553363,
3.0997354469748983,
6.0141028959321225
],
[
0.4462345203549413,
4.02017733170636,
-0.7852462533590052
],
... | [
[
7.2043596738636815,
0,
-1.9221452318760253
],
[
-3.224244203737935,
7.119919898601156,
-2.537933756688987
],
[
0,
0,
9.688940860000002
]
] | [
38,
38,
38,
38,
38,
38,
14,
14,
14,
14,
33,
33,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.82979 | 0.9176 | 0 | 15 | 15 | [
"As",
"Si",
"Sr"
] |
mp-1112647 | mp-1112647 | Cs3TlBr6 | # generated using pymatgen
data_Cs3TlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74711736
_cell_length_b 8.74711736
_cell_length_c 8.74711736
_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_Cs3TlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.37029200
_cell_length_b 12.37029200
_cell_length_c 12.37029200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.525075281214624,
1.7854978543533886,
4.37355868
],
[
7.5752258436438735,
5.356493563060169,
13.120676040000003
],
[
5.050150562429249,
3.57099570870678,
8.74711736
],
[
0,
0,
0
],
[
3.6621823323028817,
5.533879203894469,
6.3430858661296... | [
[
7.5752258436438735,
0,
4.373558680000001
],
[
2.5250752812146247,
7.141991417413558,
4.373558680000001
],
[
0,
0,
8.74711736
]
] | [
55,
55,
55,
81,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.5827 | 1.698 | 0.055322 | 225 | 225 | [
"Br",
"Cs",
"Tl"
] |
mp-21447 | mp-21447 | Nb4CoP | # generated using pymatgen
data_Nb4CoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15362900
_cell_length_b 6.15362900
_cell_length_c 5.03207500
_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_Nb4CoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15362900
_cell_length_b 6.15362900
_cell_length_c 5.03207500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5160375,
2.0593919420269993,
0.9804023259090001
],
[
2.5160374999999995,
4.094237057972999,
5.173226674091
],
[
2.5160375000000004,
0.9804023259089999,
4.094237057972999
],
[
2.5160374999999995,
5.173226674091,
2.0593919420269997
],
[
-1.261013... | [
[
5.032075,
0,
3.0812572709097086e-16
],
[
-3.7680110289951636e-16,
6.153629,
3.7680110289951636e-16
],
[
0,
0,
6.153629
]
] | [
41,
41,
41,
41,
41,
41,
41,
41,
27,
27,
15,
15
] | [
1,
1,
1
] | -0.431301 | 0 | 0.053435 | 124 | 124 | [
"Nb",
"Co",
"P"
] |
mp-625381 | mp-625381 | V2H3O5 | # generated using pymatgen
data_V2H3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32492744
_cell_length_b 6.32492744
_cell_length_c 4.87899522
_cell_angle_alpha 81.53991162
_cell_angle_beta 81.53991162
_cell_angle_gamma 28.28273725
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V2H3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.26651201
_cell_length_b 3.09055200
_cell_length_c 4.87899522
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.72650748
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.486646411998172,
2.878226451061417,
3.54466156946132
],
[
0.35557531632294564,
1.8808821235314939,
1.4112912141765566
],
[
1.049652884519818,
0.2237020033902159,
4.166110035918444
],
[
1.5753539428113705,
0.11196433079765113,
-0.072291003648433
],
... | [
[
2.9968955055772204,
0,
-0.7550688735805609
],
[
-0.18084993947004346,
4.822515001837064,
-0.7177999116975384
],
[
0,
0,
6.324927439999999
]
] | [
23,
23,
1,
1,
1,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.96272 | 1.5387 | 0 | 8 | 8 | [
"H",
"O",
"V"
] |
mp-867231 | mp-867231 | TbI3 | # generated using pymatgen
data_TbI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.37454531
_cell_length_b 11.37454531
_cell_length_c 4.01455200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999601
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.37454531
_cell_length_b 11.37454531
_cell_length_c 4.01455200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.003638000000002,
6.567097060674024,
-4.57323678248551e-7
],
[
3.0109140000000014,
3.2835485303370127,
5.68727242633816
],
[
3.010914000000003,
7.732746938298074,
-2.0189652692049793
],
[
3.010914000000002,
4.235797305425928,
-2.94975144478378e-7
],
... | [
[
4.014552,
0,
2.4582041284053024e-16
],
[
3.771387337396762e-15,
9.850645591011038,
-5.687273340985517
],
[
0,
0,
11.37454531
]
] | [
65,
65,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.662203 | 2.0967 | 0 | 194 | 194 | [
"Tb",
"I"
] |
mp-541368 | mp-541368 | Tl4V2O7 | # generated using pymatgen
data_Tl4V2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09411217
_cell_length_b 6.09411217
_cell_length_c 7.93614200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000183
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tl4V2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09411217
_cell_length_b 6.09411217
_cell_length_c 7.93614200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
7.471143704758228e-16,
3.5184373342617814,
0.5974565781860007
],
[
3.0470560007170873,
1.7592186671308907,
7.338685421814001
],
[
7.471143704758228e-16,
3.5184373342617814,
4.6949343096380005
],
[
3.0470560007170873,
1.7592186671308907,
3.241207690362001... | [
[
6.094112001434173,
0,
1.7263214295374342e-15
],
[
-3.0470560007170873,
5.277656001392673,
3.731567481317715e-16
],
[
0,
0,
7.936142
]
] | [
81,
81,
81,
81,
23,
23,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.825563 | 2.6163 | 0 | 164 | 164 | [
"O",
"Tl",
"V"
] |
mp-1217215 | mp-1217215 | Ti4MnS8 | # generated using pymatgen
data_Ti4MnS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44282843
_cell_length_b 3.44282843
_cell_length_c 23.68238300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000817
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ti4MnS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44282843
_cell_length_b 3.44282843
_cell_length_c 23.68238300
_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,
8.839923102410001
],
[
0,
0,
14.84245989759
],
[
0,
0,
20.723198197001
],
[
0,
0,
2.9591848029990024
],
[
0,
0,
11.8411915
],
[
1.721414002423403,
0.9938590013274804,
10.385317005075002
],
[
1.721414002423403... | [
[
3.442828004846806,
0,
9.752737989685684e-16
],
[
-1.7214140024234028,
2.981577003982441,
2.108124408406504e-16
],
[
0,
0,
23.682383
]
] | [
22,
22,
22,
22,
25,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.50005 | 0 | 0.028315 | 164 | 164 | [
"Mn",
"S",
"Ti"
] |
mp-1018675 | mp-1018675 | DyS2 | # generated using pymatgen
data_DyS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85690300
_cell_length_b 3.85690300
_cell_length_c 7.98132100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy... | # generated using pymatgen
data_DyS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85690300
_cell_length_b 3.85690300
_cell_length_c 7.98132100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy... | [
[
-1.180835978392956e-16,
1.9284515,
5.793066258788
],
[
1.9284515,
0,
2.1882547412120004
],
[
-1.180835978392956e-16,
1.9284515,
2.9409332181170003
],
[
1.9284515,
0,
5.040387781883
],
[
0,
0,
0
],
[
1.9284514999999998,
1.92845... | [
[
3.856903,
0,
2.361671956785912e-16
],
[
-2.361671956785912e-16,
3.856903,
2.361671956785912e-16
],
[
0,
0,
7.981321
]
] | [
66,
66,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.995764 | 0 | 0 | 129 | 129 | [
"Dy",
"S"
] |
mp-4065 | mp-4065 | Dy(SiIr)2 | # generated using pymatgen
data_Dy(SiIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76286742
_cell_length_b 5.76286742
_cell_length_c 5.76286742
_cell_angle_alpha 138.49449856
_cell_angle_beta 138.49449856
_cell_angle_gamma 60.14648902
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy(SiIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08398200
_cell_length_b 4.08398200
_cell_length_c 9.97420401
_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
],
[
2.031814626964383,
2.347872232802785,
-0.40076140517543657
],
[
1.2388540813165128,
1.4315632240344296,
3.2694256812403983
],
[
2.727170125850888,
0.9448588642093035,
1.4343321380378302
],
[
0.5434985824300083,
2.8345765926279105... | [
[
3.819005897561328,
0,
-1.4471015719568203
],
[
-0.5483371892804316,
3.779435456837214,
-1.4471015719782183
],
[
0,
0,
5.76286742
]
] | [
66,
14,
14,
77,
77
] | [
1,
1,
1
] | -1.092873 | 0 | 0 | 139 | 139 | [
"Dy",
"Si",
"Ir"
] |
mp-1219589 | mp-1219589 | RbCrNiF6 | # generated using pymatgen
data_RbCrNiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36995976
_cell_length_b 7.36995976
_cell_length_c 7.36995976
_cell_angle_alpha 120.44287446
_cell_angle_beta 120.16549906
_cell_angle_gamma 89.47410503
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_RbCrNiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32057000
_cell_length_b 7.35151600
_cell_length_c 10.47042000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.268939722249348,
3.7894237685677306,
0.09050035645743107
],
[
-0.01307805896966042,
2.2271676690569744,
-0.02285540286466021
],
[
3.1769492534551316,
1.884944436935258e-16,
-1.817877805399981
],
[
2.1279308316398446,
3.0082957188123527,
-3.651157403203... | [
[
6.353898506910263,
0,
-3.6357556107999613
],
[
-2.0980368436305765,
6.016591437624705,
-3.6665591956072676
],
[
0,
0,
7.36995976
]
] | [
37,
37,
24,
24,
28,
28,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.852113 | 3.228 | 0 | 74 | 74 | [
"Cr",
"F",
"Ni",
"Rb"
] |
mp-1215315 | mp-1215315 | ZrMnNi | # generated using pymatgen
data_ZrMnNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00388580
_cell_length_b 5.00388580
_cell_length_c 8.05499900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.81099968
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrMnNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86629400
_cell_length_b 8.74498000
_cell_length_c 8.05499900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4331469986509577,
1.4419422615724322,
6.540232273053001
],
[
2.0983465739844525e-16,
2.9370714914802405,
5.553664050532001
],
[
2.0983465739844525e-16,
2.9370714914802405,
2.501334949468001
],
[
2.4331469986509577,
1.4419422615724322,
1.514766726947001... | [
[
4.8662939973019155,
0,
1.3785088964552437e-15
],
[
-2.433146998650958,
4.372489997975693,
3.0639963641344466e-16
],
[
0,
0,
8.054999
]
] | [
40,
40,
40,
40,
25,
25,
25,
25,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.279756 | 0 | 0.042726 | 38 | 38 | [
"Mn",
"Ni",
"Zr"
] |
mp-1280642 | mp-1280642 | Na2V2O5 | # generated using pymatgen
data_Na2V2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41109044
_cell_length_b 5.57535914
_cell_length_c 8.24430905
_cell_angle_alpha 109.76963531
_cell_angle_beta 109.07375496
_cell_angle_gamma 90.02141942
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na2V2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.51678161
_cell_length_b 5.57535914
_cell_length_c 5.41109044
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.32753388
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.0528493730167567,
0.4144215944823907,
7.694626942633065
],
[
1.4087697946683684,
4.7985932345008555,
4.207425285501951
],
[
0.13468405868426614,
3.307750155985742,
7.857185484729084
],
[
4.329197756780056,
1.890665103294654,
4.039544458895518
],
[
... | [
[
5.1134976442658235,
0,
1.7697574952369206
],
[
-0.6501023472857492,
5.206693902585507,
1.8847639329141446
],
[
0,
0,
8.243721178779568
]
] | [
11,
11,
11,
11,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.336294 | 0.8701 | 0.054698 | 9 | 9 | [
"Na",
"O",
"V"
] |
mp-1177520 | mp-1177520 | Li3SbS3 | # generated using pymatgen
data_Li3SbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35229019
_cell_length_b 6.35229019
_cell_length_c 6.35229103
_cell_angle_alpha 115.14668853
_cell_angle_beta 115.14668853
_cell_angle_gamma 115.14669175
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li3SbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.72366425
_cell_length_b 10.72366425
_cell_length_c 4.26302914
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.9662198039021489,
2.337329916706686,
-1.6063085803887658
],
[
-1.111277741541214,
3.02450233853897,
2.0466568560247325
],
[
1.8718420541831216,
3.924983497214249e-16,
2.339471399399205
],
[
3.59932294768723,
7.124057831878603e-17,
-0.8261045887174912
... | [
[
4.154995414431663,
0,
-0.9536406784969608
],
[
-2.077496444946258,
5.361832255245655,
-2.6993247388584396
],
[
0,
0,
6.352290190000001
]
] | [
3,
3,
3,
51,
16,
16,
16
] | [
1,
1,
1
] | -1.136589 | 2.7452 | 0.035224 | 160 | 160 | [
"Li",
"S",
"Sb"
] |
mp-1215328 | mp-1215328 | ZrTi2(PbO3)3 | # generated using pymatgen
data_ZrTi2(PbO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83028678
_cell_length_b 5.83028678
_cell_length_c 7.05404671
_cell_angle_alpha 89.37279408
_cell_angle_beta 89.37279408
_cell_angle_gamma 58.95713062
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_ZrTi2(PbO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.15099400
_cell_length_b 5.73814400
_cell_length_c 7.05404671
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.72048387
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.8690719999994747,
4.8945847165673415,
3.532322810365647
],
[
2.869071999999475,
1.550451893011385,
1.2086330197673598
],
[
1.2876952682745909e-15,
3.2225030795022,
5.893149114711706
],
[
5.77540283075014e-16,
3.4467715594210646,
2.1948266246226686
],... | [
[
5.73814399999895,
0,
3.5135998413226524e-16
],
[
-2.869071999999475,
5.075095721178208,
-0.0638217575785774
],
[
0,
0,
7.05404671
]
] | [
40,
22,
22,
82,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.749264 | 2.6863 | 0.02973 | 8 | 8 | [
"O",
"Pb",
"Ti",
"Zr"
] |
mp-551613 | mp-551613 | Ba2CuWO6 | # generated using pymatgen
data_Ba2CuWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98144706
_cell_length_b 5.98144706
_cell_length_c 5.98144706
_cell_angle_alpha 123.87323353
_cell_angle_beta 123.87323353
_cell_angle_gamma 83.41283645
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba2CuWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62792000
_cell_length_b 5.62792000
_cell_length_c 8.93106201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3717902739080166,
1.1903526327953302,
0.3430796354925212
],
[
0.18290579461008877,
3.57105789838599,
0.3430796358142105
],
[
0,
0,
0
],
[
1.7773480342590529,
2.38070526559066,
-2.647643894346634
],
[
2.6550238217525837,
3.5563260942025146,
... | [
[
4.966232513556981,
0,
-2.6476438946683234
],
[
-1.4115364450388752,
4.76141053118132,
-2.6476438940249447
],
[
0,
0,
5.98144706
]
] | [
56,
56,
29,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.444454 | 0 | 0.039894 | 139 | 139 | [
"Ba",
"Cu",
"O",
"W"
] |
mp-1218293 | mp-1218293 | SrEuSi4 | # generated using pymatgen
data_SrEuSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61500506
_cell_length_b 7.61500506
_cell_length_c 7.61500506
_cell_angle_alpha 146.63416646
_cell_angle_beta 146.63416646
_cell_angle_gamma 47.90576557
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrEuSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37215400
_cell_length_b 4.37215400
_cell_length_c 13.91839600
_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
],
[
0.7649172900929623,
3.128396927796321,
2.552366752844141
],
[
2.7309764778489454,
0.6969359251826569,
1.4976841901070885
],
[
2.230559561932929,
2.440758598283075,
-0.17210091729655783
],
[
3.363130870758725,
1.388662026681557,
... | [
[
4.188121866409272,
0,
-1.2551357772963212
],
[
-0.37615090201247436,
4.171195903728428,
-1.2551357771090383
],
[
0,
0,
7.61500506
]
] | [
38,
63,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.381043 | 0 | 0.008106 | 119 | 119 | [
"Eu",
"Si",
"Sr"
] |
mp-1185972 | mp-1185972 | Mn2NbGa | # generated using pymatgen
data_Mn2NbGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25089262
_cell_length_b 4.25089262
_cell_length_c 4.25089262
_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_Mn2NbGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01167000
_cell_length_b 6.01167000
_cell_length_c 6.01167000
_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
],
[
2.4542539984531926,
1.7354196450604513,
4.250892619999998
],
[
1.227117182210603,
0.8677132933695159,
2.1254463099999996
],
[
3.681371180663796,
2.603132938429967,
6.376338929999999
]
] | [
[
3.6813809976797907,
0,
2.1254463099999996
],
[
1.2271269992265958,
3.4708392901209026,
2.12544631
],
[
0,
0,
4.250892619999999
]
] | [
25,
25,
41,
31
] | [
1,
1,
1
] | -0.167684 | 0 | 0.008682 | 225 | 225 | [
"Ga",
"Mn",
"Nb"
] |
mvc-8381 | mvc-8381 | Ge2WO6 | # generated using pymatgen
data_Ge2WO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83448129
_cell_length_b 6.83448129
_cell_length_c 5.69807530
_cell_angle_alpha 77.00425399
_cell_angle_beta 77.00425399
_cell_angle_gamma 84.17143597
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ge2WO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.14432399
_cell_length_b 9.16150799
_cell_length_c 5.69807530
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.63864114
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.229920274366216,
4.0746906682139645,
6.119240161703612
],
[
1.7161533871396304,
1.4154541427418466,
3.120826981080071
],
[
4.739357312983965,
2.575129598735739,
2.690674035405723
],
[
5.253124200210551,
5.234366124207859,
5.689087216029263
],
[
... | [
[
5.552129151713599,
0,
1.2813758258848678
],
[
1.4171484356365815,
6.649820266949704,
0.6940570812244652
],
[
0,
0,
6.83448129
]
] | [
32,
32,
32,
32,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.009907 | 2.2425 | 0.053622 | 15 | 15 | [
"Ge",
"O",
"W"
] |
mp-753643 | mp-753643 | Li2VF5 | # generated using pymatgen
data_Li2VF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75673593
_cell_length_b 6.75673593
_cell_length_c 5.58930383
_cell_angle_alpha 88.32138536
_cell_angle_beta 88.32138536
_cell_angle_gamma 43.62253371
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2VF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.54608000
_cell_length_b 5.02093600
_cell_length_c 5.58930383
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.80808919
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.304788811690307,
5.481522341328088,
4.706781551191892
],
[
3.70832485284547,
2.8982591640577713,
-1.041617396349737
],
[
0.887652277093234,
2.6882618395328017,
5.769094121516662
],
[
1.2911883182483972,
0.1049986622624848,
0.02069517397503338
],
[
... | [
[
4.6615011591440005,
0,
-1.8655308258306702
],
[
-0.0655240292052967,
5.586521003590573,
-0.163728379002405
],
[
0,
0,
6.7567359300000005
]
] | [
3,
3,
3,
3,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.143616 | 2.398 | 0.072348 | 15 | 15 | [
"F",
"Li",
"V"
] |
mp-1522565 | mp-1522565 | KCeNb4O12 | # generated using pymatgen
data_KCeNb4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63230329
_cell_length_b 5.63230329
_cell_length_c 7.96626562
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.92214167
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_KCeNb4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90092426
_cell_length_b 8.02911934
_cell_length_c 7.96626562
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.61543799126364,
0.016596022837764724,
3.9831328100000003
],
[
2.808145789467482,
2.7790662418114636,
3.448791097962804e-16
],
[
-0.0020854376051944205,
2.7961061452991434,
5.965402662684117
],
[
-0.0020854376051944205,
2.7961061452991434,
2.00086295731... | [
[
5.63230329,
0,
3.4487910979628033e-16
],
[
-0.09064467548289903,
5.63157383804487,
3.4487910979628033e-16
],
[
0,
0,
7.96626562
]
] | [
19,
58,
41,
41,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.075165 | 0 | 0.075228 | 38 | 38 | [
"Ce",
"K",
"Nb",
"O"
] |
mp-1103238 | mp-1103238 | LuGaPd | # generated using pymatgen
data_LuGaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36291600
_cell_length_b 6.82128500
_cell_length_c 7.65823300
_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_LuGaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36291600
_cell_length_b 6.82128500
_cell_length_c 7.65823300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0907289999999998,
3.4552537038999995,
1.5163607669320005
],
[
3.272187,
3.3660312961,
6.141872233068001
],
[
3.2721869999999997,
6.7766737961,
5.345477266932001
],
[
1.090729,
0.04461120389999999,
2.312755733068
],
[
1.0907289999999998,
5.3... | [
[
4.362916,
0,
2.671515557174387e-16
],
[
-4.1768324206609265e-16,
6.821285,
4.1768324206609265e-16
],
[
0,
0,
7.658233
]
] | [
71,
71,
71,
71,
31,
31,
31,
31,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.868657 | 0 | 0 | 62 | 62 | [
"Ga",
"Lu",
"Pd"
] |
mp-867918 | mp-867918 | ErPaRu2 | # generated using pymatgen
data_ErPaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82946719
_cell_length_b 4.82946719
_cell_length_c 4.82946719
_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_ErPaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82989800
_cell_length_b 6.82989800
_cell_length_c 6.82989800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.788294182188966,
1.9716217241688154,
4.829467190000001
],
[
0,
0,
0
],
[
4.182441273283448,
2.957432586253224,
7.244200785
],
[
1.3941470910944824,
0.9858108620844073,
2.4147335949999995
]
] | [
[
4.182441273283448,
0,
2.4147335950000004
],
[
1.3941470910944829,
3.9432434483376326,
2.4147335950000004
],
[
0,
0,
4.82946719
]
] | [
68,
91,
44,
44
] | [
1,
1,
1
] | -0.44164 | 0 | 0 | 225 | 225 | [
"Er",
"Pa",
"Ru"
] |
mp-754800 | mp-754800 | Ni3O4 | # generated using pymatgen
data_Ni3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.73772747
_cell_length_b 9.73772747
_cell_length_c 5.09446699
_cell_angle_alpha 87.87857236
_cell_angle_beta 87.87857236
_cell_angle_gamma 17.14191735
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_Ni3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.25795400
_cell_length_b 2.90250800
_cell_length_c 5.09446699
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.14539836
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.0689837120280665,
0.6754193541076186,
7.092638213930494
],
[
2.124791112544637,
1.2793319829997012,
4.360124977969105
],
[
1.4208350157315348,
2.5454479999834874,
9.427148996638246
],
[
0.7168789189184332,
3.8115640169672744,
... | [
[
2.870092931562261,
0,
-0.43257283161870574
],
[
-0.02842290009919149,
5.090895999966976,
-0.18858411510479425
],
[
0,
0,
9.73772747
]
] | [
28,
28,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.005543 | 0 | 0.041207 | 12 | 12 | [
"Ni",
"O"
] |
mp-10956 | mp-10956 | LaAsRh | # generated using pymatgen
data_LaAsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.11798675
_cell_length_b 8.11798675
_cell_length_c 8.11798675
_cell_angle_alpha 149.89280343
_cell_angle_beta 149.89280343
_cell_angle_gamma 43.09877843
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaAsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21684800
_cell_length_b 4.21684800
_cell_length_c 15.10110001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9817002208161325,
1.0166961433885948,
2.9683758686583954
],
[
0.0012352688332600335,
0.0013281013989224915,
0.004592895731548225
],
[
1.1002890808677417,
3.37206163628071,
4.091022850098716
],
[
2.1919637679270156,
2.356693594291037,
0.0320294750924983... | [
[
4.072139639042146,
0,
-1.0952104020793707
],
[
-0.2945591091949482,
4.06147216795869,
-1.095210402054497
],
[
0,
0,
8.11798675
]
] | [
57,
57,
33,
33,
45,
45
] | [
1,
1,
1
] | -1.155185 | 0 | 0 | 109 | 109 | [
"As",
"La",
"Rh"
] |
mp-1226811 | mp-1226811 | Cd4Te3Se | # generated using pymatgen
data_Cd4Te3Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.27671050
_cell_length_b 15.27671050
_cell_length_c 15.27671069
_cell_angle_alpha 17.40450944
_cell_angle_beta 17.40450944
_cell_angle_gamma 17.40450932
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cd4Te3Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62272403
_cell_length_b 4.62272403
_cell_length_c 45.12529488
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.02299327971442027,
0.013482528391393692,
15.126488471494357
],
[
5.076577484419365,
2.976743679670396,
12.663278902593925
],
[
3.39353877680475,
1.989863276306385,
8.3823814079675
],
[
1.7075553516165336,
1.001256184154006,
4.12072266537093
],
[
... | [
[
4.569506924845923,
0,
0.6994170397851087
],
[
2.231226501483647,
3.9877339223288066,
0.6994170397851087
],
[
0,
0,
15.27671069
]
] | [
48,
48,
48,
48,
52,
52,
52,
34
] | [
1,
1,
1
] | -0.690887 | 0.3191 | 0.024988 | 160 | 160 | [
"Cd",
"Se",
"Te"
] |
mp-23406 | mp-23406 | Cs2PtCl6 | # generated using pymatgen
data_Cs2PtCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51047669
_cell_length_b 7.51047669
_cell_length_c 7.51047669
_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_Cs2PtCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.62141799
_cell_length_b 10.62141799
_cell_length_c 10.62141799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
6.504263608070863,
4.599208903891788,
11.265715035
],
[
2.1680878693569543,
1.5330696346305954,
3.7552383449999995
],
[
0,
0,
0
],
[
5.5428684041619105,
1.3596181361684905,
5.4204236843233495
],
[
1.922790407817909,
1.3596181361684898,
7.... | [
[
6.504263608070865,
0,
3.755238344999999
],
[
2.168087869356953,
6.132278538522384,
3.7552383450000004
],
[
0,
0,
7.510476689999999
]
] | [
55,
55,
78,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.662552 | 2.1813 | 0 | 225 | 225 | [
"Cs",
"Pt",
"Cl"
] |
mp-1186003 | mp-1186003 | MnZnAu2 | # generated using pymatgen
data_MnZnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52583412
_cell_length_b 4.52583412
_cell_length_c 4.52583412
_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_MnZnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40049599
_cell_length_b 6.40049599
_cell_length_c 6.40049599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6129915474895924,
1.8476640424130215,
4.525834119999998
],
[
0,
0,
0
],
[
1.3064957737447964,
0.9238320212065112,
2.262917059999999
],
[
3.919487321234389,
2.7714960636195323,
6.788751179999998
]
] | [
[
3.9194873212343895,
0,
2.2629170599999995
],
[
1.3064957737447955,
3.695328084826043,
2.26291706
],
[
0,
0,
4.525834119999999
]
] | [
25,
30,
79,
79
] | [
1,
1,
1
] | -0.14458 | 0 | 0.004776 | 225 | 225 | [
"Au",
"Mn",
"Zn"
] |
mp-11098 | mp-11098 | YbMgPd | # generated using pymatgen
data_YbMgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18773800
_cell_length_b 7.38986800
_cell_length_c 8.56904900
_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_YbMgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18773800
_cell_length_b 7.38986800
_cell_length_c 8.56904900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0469344999999999,
3.9385853378279996,
1.4980240080820002
],
[
3.1408035000000005,
3.4512826621720003,
7.071024991918
],
[
1.0469345,
0.243651337828,
2.7865004919180003
],
[
3.1408035,
7.146216662172,
5.782548508082001
],
[
1.0469344999999999,
... | [
[
4.187738,
0,
2.5642499686838695e-16
],
[
-4.524989096160726e-16,
7.389868,
4.524989096160726e-16
],
[
0,
0,
8.569049
]
] | [
70,
70,
70,
70,
12,
12,
12,
12,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.686672 | 0 | 0 | 62 | 62 | [
"Mg",
"Pd",
"Yb"
] |
mp-755198 | mp-755198 | Cs3LaO3 | # generated using pymatgen
data_Cs3LaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80062773
_cell_length_b 7.80062773
_cell_length_c 7.83448508
_cell_angle_alpha 85.28075671
_cell_angle_beta 85.28075671
_cell_angle_gamma 116.45573422
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs3LaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.21472200
_cell_length_b 13.26339000
_cell_length_c 7.83448508
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.98940823
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5005745211434798,
2.4529381743877146,
4.625997646183244
],
[
-1.1382049579982627,
5.452114986472815,
3.275459674035636
],
[
5.372355605415799,
1.4693071840465286,
3.275459674035636
],
[
-0.6206815134711559,
5.135522214971091,
7.192702214035636
],
[... | [
[
7.774182126436164,
0,
-0.6417828659643645
],
[
-3.5400314790186282,
6.921422170519344,
-0.6417828659643645
],
[
0,
0,
7.83448508
]
] | [
55,
55,
55,
55,
55,
55,
57,
57,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.13974 | 1.7368 | 0.036765 | 12 | 12 | [
"Cs",
"La",
"O"
] |
mp-997159 | mp-997159 | CrAuO2 | # generated using pymatgen
data_CrAuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07483233
_cell_length_b 3.07483200
_cell_length_c 12.36545800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 60.00000350
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CrAuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07483233
_cell_length_b 3.07483233
_cell_length_c 12.36545800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
6.182729
],
[
0,
0,
0
],
[
1.537416000777913,
0.8876276680243655,
9.274093500000001
],
[
1.5558247338477804e-9,
1.7752553360487329,
3.0913644999999987
],
[
1.5558247338477804e-9,
1.7752553360487329,
5.191761195880001
],
[
1.... | [
[
3.074832,
0,
1.882791583357927e-16
],
[
-1.5374159976662634,
2.6628830040731,
1.8827917839956471e-16
],
[
0,
0,
12.365458
]
] | [
24,
24,
79,
79,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.622479 | 0 | 0.00026 | 194 | 194 | [
"Au",
"Cr",
"O"
] |
mp-754326 | mp-754326 | NaAgO2 | # generated using pymatgen
data_NaAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64900340
_cell_length_b 3.64900340
_cell_length_c 6.34793811
_cell_angle_alpha 62.45091364
_cell_angle_beta 62.45091364
_cell_angle_gamma 49.36981274
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63110199
_cell_length_b 3.04785000
_cell_length_c 6.34793811
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.59883181
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7270880292551183,
1.6575782373896775,
3.0658933403381994
],
[
0,
0,
0
],
[
2.564366748033983,
2.9845193437672357,
2.1507461703277904
],
[
1.8256393449264032,
0.33063713101211795,
4.799753899925578
]
] | [
[
2.93583003445015,
0,
0.8187133895769695
],
[
1.4541760585102366,
3.315156474779355,
0.4586233223416678
],
[
0,
0,
5.6731633583347305
]
] | [
11,
47,
8,
8
] | [
1,
1,
1
] | -1.010596 | 0.7021 | 0 | 12 | 12 | [
"Na",
"Ag",
"O"
] |
mp-1225285 | mp-1225285 | DyAlCu | # generated using pymatgen
data_DyAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36337838
_cell_length_b 5.36337838
_cell_length_c 5.36337838
_cell_angle_alpha 119.19818052
_cell_angle_beta 119.07148273
_cell_angle_gamma 91.50519778
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42824800
_cell_length_b 5.43847400
_cell_length_c 7.48468000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6031657800789019,
2.7399901344034014,
2.6309478669324124
],
[
0.014597556117744442,
1.6596780176705541,
-0.02488002692220762
],
[
-0.723183906820001,
4.399668152073955,
-1.4490969041296762
],
[
5.741103590188973e-17,
1.5613501714592902e-16,
2.68168919
... | [
[
4.681894486033294,
0,
-2.616427271720239
],
[
-3.064131149836648,
4.399668152073955,
-0.14088326826955674
],
[
0,
0,
5.36337838
]
] | [
66,
66,
13,
13,
29,
29
] | [
1,
1,
1
] | -0.38495 | 0 | 0.067965 | 74 | 74 | [
"Al",
"Cu",
"Dy"
] |
mp-1217089 | mp-1217089 | Ti2AlSi3 | # generated using pymatgen
data_Ti2AlSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63888100
_cell_length_b 3.60109400
_cell_length_c 7.00359117
_cell_angle_alpha 90.00000000
_cell_angle_beta 74.94259258
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ti2AlSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63888100
_cell_length_b 13.52626000
_cell_length_c 3.60109400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.9002735,
0.34046599493070284,
1.2655555852523825
],
[
2.7008205,
3.1750202214226535,
4.798422534057405
],
[
0.9002734999999998,
2.6375730903805836,
2.8006588567127775
],
[
2.7008205,
0.8764829509295597,
3.2580100934806335
],
[
0.900273499999999... | [
[
3.601094,
0,
2.2050341202643692e-16
],
[
-2.1516698880710246e-16,
3.5139435951150992,
-0.9453334557237313
],
[
0,
0,
7.0035914303276146
]
] | [
22,
22,
13,
14,
14,
14
] | [
1,
1,
1
] | -0.519654 | 0 | 0 | 38 | 38 | [
"Al",
"Si",
"Ti"
] |
mp-1223570 | mp-1223570 | K8SrTe6 | # generated using pymatgen
data_K8SrTe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.18217876
_cell_length_b 10.18217876
_cell_length_c 10.18217876
_cell_angle_alpha 95.44268424
_cell_angle_beta 95.44268424
_cell_angle_gamma 144.12526012
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_K8SrTe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.69985600
_cell_length_b 13.69985600
_cell_length_c 6.27175800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.003589245604875,
6.129226957380968,
9.848641218548547
],
[
6.842406323077511,
3.558034121756344,
4.168223985317669
],
[
2.631434721627734,
7.828944099065323,
7.294192326080753
],
[
3.423303514324431,
1.8583169800719903,
4.847975571172209
],
[
5... | [
[
5.9669112665962825,
0,
1.9315585265168544
],
[
2.983455635720994,
9.687261079137311,
0.9657792640427334
],
[
0,
0,
10.18217876
]
] | [
19,
19,
19,
19,
19,
19,
19,
19,
38,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.221342 | 0.6937 | 0.01797 | 121 | 121 | [
"K",
"Sr",
"Te"
] |
mp-1222348 | mp-1222348 | LiEu2Ga7 | # generated using pymatgen
data_LiEu2Ga7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29758600
_cell_length_b 4.29758600
_cell_length_c 11.04100400
_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_LiEu2Ga7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29758600
_cell_length_b 4.29758600
_cell_length_c 11.04100400
_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
],
[
2.148793,
0,
8.242186773028
],
[
-1.3157562347401192e-16,
2.148793,
2.798817226972
],
[
-1.3157562347401192e-16,
2.148793,
9.573787060448
],
[
2.148793,
0,
3.9770690098359998
],
[
2.148793,
0,
1.467216939552
... | [
[
4.297586,
0,
2.6315124694802384e-16
],
[
-2.6315124694802384e-16,
4.297586,
2.6315124694802384e-16
],
[
0,
0,
11.041004
]
] | [
3,
63,
63,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.449665 | 0 | 0.009156 | 115 | 115 | [
"Eu",
"Ga",
"Li"
] |
mp-1228815 | mp-1228815 | AlRe | # generated using pymatgen
data_AlRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10151200
_cell_length_b 3.10151200
_cell_length_c 5.99554300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | # generated using pymatgen
data_AlRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10151200
_cell_length_b 3.10151200
_cell_length_c 5.99554300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | [
[
1.550756,
0,
2.230216089597
],
[
-9.495641858292764e-17,
1.550756,
3.765326910403
],
[
1.550756,
0,
5.187151946224
],
[
-9.495641858292764e-17,
1.550756,
0.8083910537760001
]
] | [
[
3.101512,
0,
1.8991283716585528e-16
],
[
-1.8991283716585528e-16,
3.101512,
1.8991283716585528e-16
],
[
0,
0,
5.995543
]
] | [
13,
13,
75,
75
] | [
1,
1,
1
] | -0.31578 | 0 | 0 | 129 | 129 | [
"Al",
"Re"
] |
mp-1111653 | mp-1111653 | K2LiYF6 | # generated using pymatgen
data_K2LiYF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05098850
_cell_length_b 6.05098850
_cell_length_c 6.05098850
_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_K2LiYF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.55739000
_cell_length_b 8.55739000
_cell_length_c 8.55739000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7467699196691646,
1.2351528553707471,
3.0254942500000004
],
[
5.240309759007494,
3.7054585661122417,
9.076482749999998
],
[
3.4935398393383292,
2.4703057107414943,
6.050988499999999
],
[
0,
0,
0
],
[
2.636990247989517,
3.6816497596721143,
... | [
[
5.240309759007495,
0,
3.025494249999999
],
[
1.7467699196691635,
4.940611421482989,
3.02549425
],
[
0,
0,
6.050988499999999
]
] | [
19,
19,
3,
39,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.590522 | 6.6987 | 0.04655 | 225 | 225 | [
"F",
"K",
"Li",
"Y"
] |
mp-20729 | mp-20729 | LaIn3 | # generated using pymatgen
data_LaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79433400
_cell_length_b 4.79433400
_cell_length_c 4.79433400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79433400
_cell_length_b 4.79433400
_cell_length_c 4.79433400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
0,
0,
0
],
[
-1.4678414467858317e-16,
2.397167,
2.397167
],
[
2.397167,
2.397167,
2.9356828935716634e-16
],
[
2.397167,
0,
2.397167
]
] | [
[
4.794334,
0,
2.9356828935716634e-16
],
[
-2.9356828935716634e-16,
4.794334,
2.9356828935716634e-16
],
[
0,
0,
4.794334
]
] | [
57,
49,
49,
49
] | [
1,
1,
1
] | -0.475963 | 0 | 0 | 221 | 221 | [
"La",
"In"
] |
mp-7849 | mp-7849 | AlAsO4 | # generated using pymatgen
data_AlAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28298008
_cell_length_b 5.28298008
_cell_length_c 5.28298008
_cell_angle_alpha 121.40772884
_cell_angle_beta 121.40772884
_cell_angle_gamma 87.57855941
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17017400
_cell_length_b 5.17017400
_cell_length_c 7.62745801
_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
],
[
3.026819705397308,
1.0699133438766604,
0.11160171643911498
],
[
-0.18005032110326866,
0.5643193737476818,
3.620608035448495
],
[
3.5561672908580073,
1.0799448513888474,
-1.5099131117829478
],
[
2.4947683186330747,
2.6421510027034... | [
[
4.508920525470227,
0,
-2.5298883235961727
],
[
-1.4194827548214513,
4.279653375506642,
-2.529888323455022
],
[
0,
0,
5.28298008
]
] | [
13,
33,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.444838 | 4.3962 | 0 | 82 | 82 | [
"Al",
"As",
"O"
] |
mp-1079361 | mp-1079361 | YAlCu | # generated using pymatgen
data_YAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01592227
_cell_length_b 7.01592227
_cell_length_c 4.05678800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000259
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01592227
_cell_length_b 7.01592227
_cell_length_c 4.05678800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0283940000000023,
6.075966758223008,
-0.6042109512342276
],
[
2.028394000000001,
2.5147211218933396,
5.564047429121723
],
[
2.0283940000000014,
3.5612456363296694,
2.0560863414288466
],
[
4.931736620441018e-32,
1.1966043031982004e-16,
5.37089195943083
... | [
[
4.056788,
0,
2.484066219509696e-16
],
[
2.3262256146253257e-15,
6.075966758223008,
-3.507960860341828
],
[
0,
0,
7.01592227
]
] | [
39,
39,
39,
13,
13,
13,
29,
29,
29
] | [
1,
1,
1
] | -0.457115 | 0 | 0 | 189 | 189 | [
"Al",
"Cu",
"Y"
] |
mp-1284741 | mp-1284741 | Ca2V3O8 | # generated using pymatgen
data_Ca2V3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44276099
_cell_length_b 6.44276099
_cell_length_c 4.97037514
_cell_angle_alpha 71.63568976
_cell_angle_beta 71.63568976
_cell_angle_gamma 57.98461639
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca2V3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.27077001
_cell_length_b 6.24551200
_cell_length_c 4.97037514
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.11223052
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.397310745071561,
3.8869688693037565,
-0.34378518164555305
],
[
1.3150301083598506,
1.4826626570593928,
2.193439175744145
],
[
2.358623047162689,
0,
-0.7829780197907829
],
[
4.447173791214161,
1.4431099512362018,
-2.3795149676963483
],
[
3.98241... | [
[
4.717246094325378,
0,
-1.5659560395815657
],
[
-1.0049052408939667,
5.3696315263631496,
-3.0271509563198413
],
[
0,
0,
6.44276099
]
] | [
20,
20,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.862569 | 1.5229 | 0 | 12 | 12 | [
"Ca",
"O",
"V"
] |
mp-1246430 | mp-1246430 | Zn3MoN4 | # generated using pymatgen
data_Zn3MoN4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57129300
_cell_length_b 5.68791200
_cell_length_c 5.36753700
_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_Zn3MoN4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36753700
_cell_length_b 5.68791200
_cell_length_c 6.57129300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.443980171276999,
0.9547444687599992,
4.918704808602
],
[
4.127748671277,
4.73316753124,
4.938234691398001
],
[
1.4439801712769997,
0.9547444687599992,
1.6525881913980007
],
[
4.127748671277,
4.73316753124,
1.6330583086020005
],
[
1.450780840655... | [
[
5.367537,
0,
3.2866685031774933e-16
],
[
-3.48284161231591e-16,
5.687912,
3.48284161231591e-16
],
[
0,
0,
6.571293
]
] | [
30,
30,
30,
30,
30,
30,
42,
42,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.362987 | 2.1347 | 0 | 31 | 31 | [
"Mo",
"N",
"Zn"
] |
mp-1186208 | mp-1186208 | Nb2ReTc | # generated using pymatgen
data_Nb2ReTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53075559
_cell_length_b 4.53075559
_cell_length_c 4.53075559
_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_Nb2ReTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40745600
_cell_length_b 6.40745600
_cell_length_c 6.40745600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9237494392783523,
2.774509836190637,
6.796133385000001
],
[
1.307916479759451,
0.9248366120635455,
2.265377795
],
[
2.615832959518902,
1.849673224127092,
4.53075559
],
[
0,
0,
0
]
] | [
[
3.9237494392783523,
0,
2.2653777950000005
],
[
1.307916479759451,
3.699346448254182,
2.2653777950000005
],
[
0,
0,
4.53075559
]
] | [
41,
41,
75,
43
] | [
1,
1,
1
] | -0.297811 | 0 | 0 | 225 | 225 | [
"Nb",
"Re",
"Tc"
] |
mp-7955 | mp-7955 | Li3Sb | # generated using pymatgen
data_Li3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69002853
_cell_length_b 4.69002853
_cell_length_c 8.34724300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000742
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69002853
_cell_length_b 4.69002853
_cell_length_c 8.34724300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3450140019989973,
1.3538946677658248,
0.7322285032030024
],
[
-1.801893005322741e-15,
2.7077893355316496,
4.9058500032030015
],
[
0,
0,
6.260432250000001
],
[
0,
0,
2.08681075
],
[
2.3450140019989973,
1.3538946677658248,
3.4413929967970... | [
[
4.690028003997998,
0,
1.3285768043854487e-15
],
[
-2.345014001999001,
4.061684003297474,
2.871814213587133e-16
],
[
0,
0,
8.347243
]
] | [
3,
3,
3,
3,
3,
3,
51,
51
] | [
1,
1,
1
] | -0.676905 | 0.5664 | 0.008254 | 194 | 194 | [
"Li",
"Sb"
] |
mp-1018095 | mp-1018095 | BaGaGeH | # generated using pymatgen
data_BaGaGeH
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37804149
_cell_length_b 4.37804149
_cell_length_c 5.26955900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999227
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaGaGeH
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37804149
_cell_length_b 4.37804149
_cell_length_c 5.26955900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1890210007627906,
1.2638316671658494,
5.269448339261001
],
[
0,
0,
2.3684928750529997
],
[
1.54032186999625e-15,
2.527663334331699,
2.917422836083001
],
[
0,
0,
0.6166279855030008
]
] | [
[
4.37804200152558,
0,
1.2401983627589896e-15
],
[
-2.1890210007627893,
3.7914950014975486,
2.6807772486314045e-16
],
[
0,
0,
5.269559
]
] | [
56,
31,
32,
1
] | [
1,
1,
1
] | -0.533891 | 0.208 | 0 | 156 | 156 | [
"Ba",
"Ga",
"Ge",
"H"
] |
mp-22248 | mp-22248 | Eu(BO2)3 | # generated using pymatgen
data_Eu(BO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43237864
_cell_length_b 6.43237864
_cell_length_c 6.45811829
_cell_angle_alpha 62.23768014
_cell_angle_beta 62.23768014
_cell_angle_gamma 79.19566590
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu(BO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.91277600
_cell_length_b 8.19993000
_cell_length_c 6.45811829
_cell_angle_alpha 90.00000000
_cell_angle_beta 127.19426847
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.480140913983195,
1.1669379657470946,
7.83982157293805
],
[
0.9972162165224004,
4.520947538133227,
4.610762427938051
],
[
4.3785253886860565,
1.2647923479558518,
4.61076242793805
],
[
1.098831741819539,
4.42309315592447,
7.8398215729380505
],
[
... | [
[
5.691931451126392,
0,
2.9962328554380497
],
[
-0.21457432062079623,
5.687885503880322,
2.9962328554380506
],
[
0,
0,
6.45811829
]
] | [
63,
63,
5,
5,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.957951 | 0 | 0 | 15 | 15 | [
"B",
"Eu",
"O"
] |
mp-975578 | mp-975578 | Li2SnHg | # generated using pymatgen
data_Li2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76778344
_cell_length_b 4.76778344
_cell_length_c 4.76778344
_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_Li2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74266400
_cell_length_b 6.74266400
_cell_length_c 6.74266400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.129021578782759,
2.9196591580228732,
7.15167516
],
[
1.376340526260921,
0.9732197193409571,
2.383891720000001
],
[
0,
0,
0
],
[
2.7526810525218406,
1.9464394386819146,
4.7677834400000005
]
] | [
[
4.129021578782759,
0,
2.3838917200000003
],
[
1.376340526260919,
3.892878877363832,
2.3838917200000003
],
[
0,
0,
4.767783439999999
]
] | [
3,
3,
50,
80
] | [
1,
1,
1
] | -0.33982 | 0 | 0.010015 | 225 | 225 | [
"Li",
"Sn",
"Hg"
] |
mp-1207359 | mp-1207359 | CsMnSe2 | # generated using pymatgen
data_CsMnSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77363934
_cell_length_b 7.77363934
_cell_length_c 7.77363934
_cell_angle_alpha 148.97022641
_cell_angle_beta 148.97022641
_cell_angle_gamma 44.45513321
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CsMnSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15872200
_cell_length_b 4.15872200
_cell_length_c 14.39194000
_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
],
[
0.770187887062157,
2.9964490841075992,
2.7744083579859176
],
[
1.2538960527785434,
1.354554796634454,
4.516845501057473
],
[
2.4444759764172552,
2.6407106488423455,
1.031971214444748
]
] | [
[
4.007182269669383,
0,
-1.1124113127185031
],
[
-0.308810240473585,
3.9952654454767993,
-1.1124113117792755
],
[
0,
0,
7.77363934
]
] | [
55,
25,
34,
34
] | [
1,
1,
1
] | -0.911522 | 0 | 0.046054 | 119 | 119 | [
"Cs",
"Mn",
"Se"
] |
mp-979264 | mp-979264 | Te6RhCl3 | # generated using pymatgen
data_Te6RhCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.11152523
_cell_length_b 9.11152523
_cell_length_c 9.11152509
_cell_angle_alpha 107.63928843
_cell_angle_beta 107.63928843
_cell_angle_gamma 107.63929200
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Te6RhCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.70896777
_cell_length_b 14.70896777
_cell_length_c 9.90544438
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.9726885368828256,
1.3658989814012465,
7.390555456500343
],
[
7.287661522301152,
1.4697970095781105,
-1.4703060411032012
],
[
-1.9602043738886081,
7.201868505245896,
-1.3125557249324589
],
[
1.6468336810533857,
2.4399654716766714,
3.515726511312791
],... | [
[
8.683129604162808,
0,
-2.7610056671868652
],
[
-3.775151531181016,
7.819524962509564,
-2.7610056671868652
],
[
0,
0,
9.11152509
]
] | [
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
45,
45,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -0.578193 | 1.1951 | 0.077812 | 167 | 167 | [
"Cl",
"Rh",
"Te"
] |
mp-6553 | mp-6553 | LiSc(SiO3)2 | # generated using pymatgen
data_LiSc(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73017277
_cell_length_b 6.73017277
_cell_length_c 5.41369888
_cell_angle_alpha 74.86759638
_cell_angle_beta 74.86759638
_cell_angle_gamma 84.68590674
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_LiSc(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.94889600
_cell_length_b 9.06644200
_cell_length_c 5.41369888
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.68242645
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
5.162088990898342,
4.886686062065625,
3.195147186891264
],
[
1.7153522008268998,
1.6078789416697874,
5.571592689827634
],
[
4.09751560979781,
0.7001270965326838,
7.131778209566988
],
[
2.7799255819274307,
5.7944379072027274,
1.634961667151911
],
[
... | [
[
5.225979673632503,
0,
1.4132487445928172
],
[
1.6514615180927374,
6.494565003735412,
0.6233183621260827
],
[
0,
0,
6.730172769999999
]
] | [
3,
3,
21,
21,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.340783 | 4.9479 | 0.001167 | 15 | 15 | [
"Li",
"O",
"Sc",
"Si"
] |
mp-1189832 | mp-1189832 | Eu5(ZrS4)3 | # generated using pymatgen
data_Eu5(ZrS4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.72810177
_cell_length_b 11.72810177
_cell_length_c 3.91315500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999868
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Eu5(ZrS4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.72810177
_cell_length_b 11.72810177
_cell_length_c 3.91315500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
3.913155000000003,
7.276366182075127,
7.527089684299675
],
[
3.913155000000001,
2.8804680240121443,
1.6630389005738972
],
[
3.888613752161627e-15,
10.15683420608727,
2.537972717133111
],
[
1.296204584053876e-15,
3.3856114020290904,
5.864050807001115
],... | [
[
3.913155,
0,
2.3961163726587305e-16
],
[
3.888613752161627e-15,
10.15683420608727,
-5.864051118996659
],
[
0,
0,
11.72810177
]
] | [
63,
63,
63,
63,
63,
40,
40,
40,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.099951 | 0 | 0 | 189 | 189 | [
"Eu",
"S",
"Zr"
] |
mp-1666963 | mp-1666963 | La2MnCrO6 | # generated using pymatgen
data_La2MnCrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63088313
_cell_length_b 7.76322092
_cell_length_c 5.72190666
_cell_angle_alpha 89.53858595
_cell_angle_beta 86.78795084
_cell_angle_gamma 89.54858032
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2MnCrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63088313
_cell_length_b 5.72190666
_cell_length_c 7.76322092
_cell_angle_alpha 89.53858595
_cell_angle_beta 89.54858032
_cell_angle_gamma 86.78795084
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.0319380734936745,
2.609653452992208,
1.9879209035182948
],
[
5.906259476102833,
5.464652446043907,
2.0278632845543005
],
[
2.918826680835497,
3.1035950887330928,
5.865768585232228
],
[
0.04415825343599946,
0.2480305332796923,
5.8254698130417895
],
... | [
[
5.630708362777731,
0,
0.044363916232945784
],
[
0.3202537578090217,
5.712751532341987,
0.046079128527284394
],
[
0,
0,
7.76322092
]
] | [
57,
57,
57,
57,
25,
25,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.083515 | 0.9733 | 0.079759 | 2 | 2 | [
"Cr",
"La",
"Mn",
"O"
] |
mp-1079175 | mp-1079175 | MgGaAu2 | # generated using pymatgen
data_MgGaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46489209
_cell_length_b 4.46489209
_cell_length_c 8.69577400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000132
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgGaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46489209
_cell_length_b 4.46489209
_cell_length_c 8.69577400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-7.315464530270617e-16,
2.577806667208085,
6.521830500000001
],
[
2.2324460004586983,
1.2889033336040423,
2.173943500000001
],
[
0,
0,
4.347887
],
[
0,
0,
0
],
[
2.2324460004586983,
1.2889033336040423,
5.125741375848
],
[
-7.31546... | [
[
4.464892000917397,
0,
1.2648009652497415e-15
],
[
-2.2324460004586997,
3.8667100008121276,
2.733957903278418e-16
],
[
0,
0,
8.695774
]
] | [
12,
12,
31,
31,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.429713 | 0 | 0 | 194 | 194 | [
"Au",
"Ga",
"Mg"
] |
mp-1226673 | mp-1226673 | CeZnNi4 | # generated using pymatgen
data_CeZnNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00536367
_cell_length_b 5.00536367
_cell_length_c 3.91689100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999566
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeZnNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00536367
_cell_length_b 5.00536367
_cell_length_c 3.91689100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.916891000000001,
2.8898481886473757,
-2.1889816229986818e-7
],
[
3.9168910000000006,
1.4449240943236885,
2.5026817255509197
],
[
1.9584455,
0.019714544342953343,
2.5026818335066765
],
[
1.958445500000001,
2.1575288693140555,
... | [
[
3.916891,
0,
2.3984040128795377e-16
],
[
1.6595973479559128e-15,
4.3347722829710635,
-2.5026821633472447
],
[
0,
0,
5.005363670000001
]
] | [
58,
30,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.336467 | 0 | 0.008066 | 187 | 187 | [
"Ce",
"Ni",
"Zn"
] |
mp-1114539 | mp-1114539 | KRb2InBr6 | # generated using pymatgen
data_KRb2InBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26471497
_cell_length_b 8.26471497
_cell_length_c 8.26471497
_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_KRb2InBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.68807200
_cell_length_b 11.68807200
_cell_length_c 11.68807200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.771635412705028,
3.374055757673597,
8.26471497
],
[
2.3858177063525146,
1.687027878836797,
4.132357485
],
[
7.1574531190575446,
5.0610836365103955,
12.397072455
],
[
0,
0,
0
],
[
3.490064801925299,
5.1864702965770615,
6.044969558642431
... | [
[
7.1574531190575446,
0,
4.132357485000001
],
[
2.385817706352515,
6.748111515347194,
4.132357485000001
],
[
0,
0,
8.26471497
]
] | [
19,
37,
37,
49,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.699777 | 2.3924 | 0.043991 | 225 | 225 | [
"Br",
"In",
"K",
"Rb"
] |
mp-1226947 | mp-1226947 | Ce4Bi8Pd3 | # generated using pymatgen
data_Ce4Bi8Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67526100
_cell_length_b 4.67526100
_cell_length_c 19.20934400
_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_Ce4Bi8Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67526100
_cell_length_b 4.67526100
_cell_length_c 19.20934400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.3376305,
0,
2.1459910743040003
],
[
2.3376305,
0,
11.838584241792
],
[
-1.4313858547071133e-16,
2.3376305,
17.063352925696
],
[
-1.4313858547071133e-16,
2.3376305,
7.370759758208001
],
[
2.3376305,
0,
17.675343416192003
],
[
2.3... | [
[
4.675261,
0,
2.8627717094142267e-16
],
[
-2.8627717094142267e-16,
4.675261,
2.8627717094142267e-16
],
[
0,
0,
19.209344
]
] | [
58,
58,
58,
58,
83,
83,
83,
83,
83,
83,
83,
83,
46,
46,
46
] | [
1,
1,
1
] | -0.636065 | 0 | 0.009567 | 115 | 115 | [
"Bi",
"Ce",
"Pd"
] |
mp-787 | mp-787 | U3P4 | # generated using pymatgen
data_U3P4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08167852
_cell_length_b 7.08167852
_cell_length_c 7.08167852
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_U3P4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17721800
_cell_length_b 8.17721800
_cell_length_c 8.17721800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U3... | [
[
0.41729190872053634,
2.1683123619934093,
-0.5901398767320787
],
[
0.41729190872053634,
3.613853936655682,
2.9506993832679207
],
[
-2.0864595436026834,
5.0593955113179545,
-0.5901398763396052
],
[
3.3383352697642916,
4.336624723986818,
0.5901398761433673
... | [
[
6.676670539528584,
0,
-2.3605595077132655
],
[
-3.3383352697642925,
5.782166298649091,
-2.3605595061433675
],
[
0,
0,
7.08167852
]
] | [
92,
92,
92,
92,
92,
92,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.96787 | 0 | 0 | 220 | 220 | [
"P",
"U"
] |
mp-1205864 | mp-1205864 | Y2CdCu2 | # generated using pymatgen
data_Y2CdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59184100
_cell_length_b 7.59184100
_cell_length_c 3.68214600
_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_Y2CdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59184100
_cell_length_b 7.59184100
_cell_length_c 3.68214600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8410729999999997,
5.141931133776999,
1.3460106337770001
],
[
1.8410729999999997,
2.4499098662229994,
6.245830366222999
],
[
1.841073,
1.3460106337769997,
2.449909866223
],
[
1.8410729999999995,
6.245830366222998,
5.141931133777
],
[
0,
0,
... | [
[
3.682146,
0,
2.254664156446615e-16
],
[
-4.64866189014282e-16,
7.591841,
4.64866189014282e-16
],
[
0,
0,
7.591841
]
] | [
39,
39,
39,
39,
48,
48,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.300755 | 0 | 0 | 127 | 127 | [
"Cd",
"Cu",
"Y"
] |
mp-7868 | mp-7868 | PtO2 | # generated using pymatgen
data_PtO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16406863
_cell_length_b 3.16406863
_cell_length_c 9.43583700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001327
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_PtO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16406863
_cell_length_b 3.16406863
_cell_length_c 9.43583700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
4.0101004016065746e-16,
1.8267759974007256,
4.717890192489
],
[
1.5820339976819071,
0.9133879987003628,
9.435808692489001
],
[
0,
0,
8.487893943305998
],
[
0,
0,
3.7699754433060004
],
[
1.5820339976819071,
0.9133879987003628,
5.6658804283... | [
[
3.1640679953638133,
0,
8.963075151268376e-16
],
[
-1.5820339976819062,
2.740163996101088,
1.9374332600060255e-16
],
[
0,
0,
9.435837
]
] | [
78,
78,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.922055 | 1.5424 | 0.004623 | 186 | 186 | [
"Pt",
"O"
] |
mp-23859 | mp-23859 | CaHCl | # generated using pymatgen
data_CaHCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83673400
_cell_length_b 3.83673400
_cell_length_c 6.93441400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CaHCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83673400
_cell_length_b 3.83673400
_cell_length_c 6.93441400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
-1.1746610030699553e-16,
1.918367,
5.610627432986001
],
[
1.918367,
0,
1.323786567014
],
[
1.9183669999999997,
1.918367,
2.3493220061399105e-16
],
[
0,
0,
0
],
[
1.918367,
0,
4.531660352242
],
[
-1.1746610030699553e-16,
1.9183... | [
[
3.836734,
0,
2.3493220061399105e-16
],
[
-2.3493220061399105e-16,
3.836734,
2.3493220061399105e-16
],
[
0,
0,
6.934414
]
] | [
20,
20,
1,
1,
17,
17
] | [
1,
1,
1
] | -1.75727 | 3.8401 | 0 | 129 | 129 | [
"Ca",
"Cl",
"H"
] |
mp-1223579 | mp-1223579 | KAs(HO2)2 | # generated using pymatgen
data_KAs(HO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59167054
_cell_length_b 6.65391051
_cell_length_c 6.65391051
_cell_angle_alpha 66.95157068
_cell_angle_beta 72.11435295
_cell_angle_gamma 107.88564705
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_KAs(HO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34038800
_cell_length_b 10.95076190
_cell_length_c 11.10030650
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.4799179287471684,
2.6468841415295072,
-2.0053359229419523
],
[
-0.909632437928266,
3.9829223808142373,
1.321619332330101
],
[
3.9343379227351085,
1.4268674629442633,
1.2337189209383845
],
[
0.05078416332580857,
0.09082922365953326,
-0.06881415857973237... | [
[
6.273104126084734,
0,
-2.0244221757539376
],
[
-3.2850973406170056,
5.34415295713892,
-2.024422174665725
],
[
0,
0,
6.65391051
]
] | [
19,
19,
33,
33,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.719406 | 4.1344 | 0 | 43 | 43 | [
"As",
"H",
"K",
"O"
] |
mp-7608 | mp-7608 | Li2PdO2 | # generated using pymatgen
data_Li2PdO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25948639
_cell_length_b 5.25948639
_cell_length_c 5.25948639
_cell_angle_alpha 146.47124709
_cell_angle_beta 137.32471175
_cell_angle_gamma 55.33231404
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li2PdO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03405600
_cell_length_b 3.82746800
_cell_length_c 9.31631801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7530080041893799,
1.0725476491318247,
2.499698721582135
],
[
1.7325688851075032,
2.4677860983449116,
0.49197999954849325
],
[
0,
0,
0
],
[
0.659339953533186,
3.008076431547336,
2.1887565989701714
],
[
1.8262369357636967,
0.5322573159293998,... | [
[
2.905105641299828,
0,
-0.8751325836240647
],
[
-0.4195287520029454,
3.5403337474767365,
-1.3926750852453071
],
[
0,
0,
5.25948639
]
] | [
3,
3,
46,
8,
8
] | [
1,
1,
1
] | -1.648949 | 1.2456 | 0 | 71 | 71 | [
"Li",
"Pd",
"O"
] |
mp-867284 | mp-867284 | Ho2CuRh | # generated using pymatgen
data_Ho2CuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86252726
_cell_length_b 4.86252726
_cell_length_c 4.86252726
_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_Ho2CuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87665200
_cell_length_b 6.87665200
_cell_length_c 6.87665200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.21107213375434,
2.9776776618433978,
7.2937908899999995
],
[
1.4036907112514465,
0.9925592206144658,
2.43126363
],
[
2.8073814225028935,
1.9851184412289324,
4.862527259999999
],
[
0,
0,
0
]
] | [
[
4.211072133754341,
0,
2.4312636299999997
],
[
1.4036907112514454,
3.970236882457863,
2.43126363
],
[
0,
0,
4.862527259999999
]
] | [
67,
67,
29,
45
] | [
1,
1,
1
] | -0.583178 | 0 | 0.012614 | 225 | 225 | [
"Cu",
"Ho",
"Rh"
] |
mp-22508 | mp-22508 | YMn12 | # generated using pymatgen
data_YMn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30959780
_cell_length_b 6.30959780
_cell_length_c 6.30959780
_cell_angle_alpha 98.01050618
_cell_angle_beta 98.01050618
_cell_angle_gamma 136.16114087
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YMn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27806400
_cell_length_b 8.27806400
_cell_length_c 4.71077600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
0,
0,
0
],
[
4.370232666480337,
5.853475187516592,
4.913342883827046
],
[
5.756957749349949,
3.7147499839273426,
4.621932128569964
],
[
3.5718414160693084,
2.13872520358925,
3.742660136640155
],
[
2.9835075837388922,
3.7147499839273426,
5... | [
[
4.370232666655726,
0,
1.7585439838976227
],
[
2.185116333152475,
5.853475187516592,
0.8792719918782355
],
[
0,
0,
6.3095978
]
] | [
39,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25
] | [
1,
1,
1
] | -0.001407 | 0 | 0 | 139 | 139 | [
"Y",
"Mn"
] |
mp-4748 | mp-4748 | NaNbO3 | # generated using pymatgen
data_NaNbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58105351
_cell_length_b 5.58105351
_cell_length_c 7.94425600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.60105371
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaNbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85129399
_cell_length_b 7.93409199
_cell_length_c 7.94425600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.822702722977982,
2.729565397757075,
1.9860640000000005
],
[
2.69980456563152,
2.851181023775104,
5.958192
],
[
-0.03883582032928873,
5.561241712788924,
1.9860640000000005
],
[
5.561343108938791,
0.019504708743254967,
5.958192
],
[
2.790526755,
... | [
[
5.58105351,
0,
3.4174096584458006e-16
],
[
-0.05854622139049852,
5.5807464215321785,
3.4174096584458006e-16
],
[
0,
0,
7.944256
]
] | [
11,
11,
11,
11,
41,
41,
41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.821961 | 1.6831 | 0.023557 | 63 | 63 | [
"Na",
"Nb",
"O"
] |
mp-555234 | mp-555234 | RbSbBrF3 | # generated using pymatgen
data_RbSbBrF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56521600
_cell_length_b 7.87781894
_cell_length_c 9.10164279
_cell_angle_alpha 110.50421759
_cell_angle_beta 99.10683933
_cell_angle_gamma 103.53165395
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_RbSbBrF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56521600
_cell_length_b 7.87781894
_cell_length_c 9.10164279
_cell_angle_alpha 110.50421759
_cell_angle_beta 99.10683933
_cell_angle_gamma 103.53165395
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.7318893024434416,
2.1922557868778325,
4.365575097527587
],
[
-1.53334569353601,
4.81585370486281,
1.2540903697522965
],
[
1.0703773142044763,
1.1201972454882996,
1.2300635372132795
],
[
1.128166294702955,
5.887912246252343,
4.389601930066604
],
[
... | [
[
4.507671089719403,
0,
-0.7225638197169131
],
[
-2.3091274808119713,
7.008109491740642,
-2.759413503003203
],
[
0,
0,
9.10164279
]
] | [
37,
37,
51,
51,
35,
35,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.512541 | 3.83 | 0 | 2 | 2 | [
"Br",
"F",
"Rb",
"Sb"
] |
mp-1218954 | mp-1218954 | SnPb4S5 | # generated using pymatgen
data_SnPb4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.33525075
_cell_length_b 15.33525075
_cell_length_c 15.33525075
_cell_angle_alpha 164.22645329
_cell_angle_beta 164.22645329
_cell_angle_gamma 22.37876482
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_SnPb4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20848000
_cell_length_b 4.20848000
_cell_length_c 30.08749000
_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
],
[
1.6373928503420698,
1.6691209488537688,
11.820096668247633
],
[
3.2717314582709616,
3.3351284726100436,
8.282894462512992
],
[
0.8169464710172997,
0.8327766110510775,
5.897415674064361
],
[
2.451285078946191,
2.498784134807351,
... | [
[
4.1686726840492705,
0,
-0.5774703069100109
],
[
-0.07999475476100937,
4.167905083661121,
-0.5774703065126365
],
[
0,
0,
15.33525075
]
] | [
50,
82,
82,
82,
82,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.745678 | 0.6103 | 0.019777 | 139 | 139 | [
"Pb",
"S",
"Sn"
] |
mp-568901 | mp-568901 | NbFe2 | # generated using pymatgen
data_NbFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76044139
_cell_length_b 4.76044139
_cell_length_c 7.89520600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999151
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76044139
_cell_length_b 4.76044139
_cell_length_c 7.89520600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.38022100044492,
1.3742210002060609,
4.470384065290001
],
[
1.082081017349159e-15,
2.7484420004121217,
3.4248219347100006
],
[
1.082081017349159e-15,
2.7484420004121217,
0.5227810652900008
],
[
2.38022100044492,
1.3742210002060609,
7.372424934710001
]... | [
[
4.76044200088984,
0,
1.3485234663019282e-15
],
[
-2.38022100044492,
4.122663000618182,
2.914929655396038e-16
],
[
0,
0,
7.895206
]
] | [
41,
41,
41,
41,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.119447 | 0 | 0.015356 | 194 | 194 | [
"Nb",
"Fe"
] |
mp-1184061 | mp-1184061 | DyTlRh2 | # generated using pymatgen
data_DyTlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74088934
_cell_length_b 4.74088934
_cell_length_c 4.74088934
_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_DyTlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70463000
_cell_length_b 6.70463000
_cell_length_c 6.70463000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7371537366472274,
1.9354599683333518,
4.74088934
],
[
0,
0,
0
],
[
4.105730604970841,
2.9031899525000275,
7.11133401
],
[
1.3685768683236137,
0.9677299841666763,
2.3704446700000004
]
] | [
[
4.105730604970841,
0,
2.3704446700000004
],
[
1.3685768683236137,
3.8709199366667035,
2.3704446700000004
],
[
0,
0,
4.74088934
]
] | [
66,
81,
45,
45
] | [
1,
1,
1
] | -0.546112 | 0 | 0.012726 | 225 | 225 | [
"Dy",
"Rh",
"Tl"
] |
mp-997167 | mp-997167 | NiAuO2 | # generated using pymatgen
data_NiAuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03336029
_cell_length_b 3.03337468
_cell_length_c 6.32923265
_cell_angle_alpha 76.11841080
_cell_angle_beta 76.11839913
_cell_angle_gamma 59.84283623
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NiAuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02975954
_cell_length_b 3.02975954
_cell_length_c 18.24573416
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1589266083843817,
1.3010672398266603,
3.889011267090612
],
[
0,
0,
0
],
[
3.841204604592448,
2.3146948986273754,
3.3853902381368584
],
[
0.4766486121763153,
0.28743958102594486,
4.392632296044365
]
] | [
[
2.9383897907722853,
0,
0.7235346575421342
],
[
1.3794634259964773,
2.6021344796533192,
0.726120826781807
],
[
0,
0,
6.328367049857282
]
] | [
28,
79,
8,
8
] | [
1,
1,
1
] | -0.827039 | 0 | 0.00072 | 166 | 166 | [
"Au",
"Ni",
"O"
] |
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