pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
1.6146317104368084,
4.8547726021425825,
8.040863624731754
],
[
-1.636844631153317e-8,
1.519908051157629,
6.628757703377153
],
[
-1.641367083849057e-8,
1.8293541087626142,
3.117979349731754
],
[
1.614631710391584,
5.164218659747568,
1.7058734283771533
]... | [
[
3.22926339,
0,
1.9773535370836154e-16
],
[
-1.6146316959768623,
6.684126710905197,
4.210567643572359e-16
],
[
0,
0,
9.84576855
]
] | [
66,
66,
66,
66,
23,
23,
24,
24,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm005164119> | Cmc2_1 | Cr-Dy-N-V | 0.041771 | null | null | 0.018653 | 2,869.447364 | 167.833923 |
[
[
-1.4547412591409706e-16,
2.37577277,
1.4547412591409706e-16
],
[
2.37577277,
0,
1.4547412591409706e-16
],
[
0,
0,
2.494246795
],
[
2.37577277,
2.37577277,
2.4942467950000005
],
[
0,
0,
0
]
] | [
[
4.75154554,
0,
2.909482518281941e-16
],
[
-2.909482518281941e-16,
4.75154554,
2.909482518281941e-16
],
[
0,
0,
4.98849359
]
] | [
20,
20,
60,
14,
7
] | [
1,
1,
1
] | alex<agm005011604> | P4/mmm | Ca-N-Nd-Si | 0.007866 | null | null | 0.000007 | 2,260.770002 | 60.637421 |
[
[
2.220446049250313e-16,
9.827711539076596,
6.661338147750939e-16
],
[
-2.318758258402327e-16,
3.2759038463588657,
2.220446049250313e-16
],
[
2.220446049250313e-16,
6.5518076927177304,
4.440892098500626e-16
],
[
0,
0,
0
]
] | [
[
1.5442758828502983,
4.367871795145153,
2.6747642900000006
],
[
1.5442758828502983,
4.367871795145153,
-2.6747642899999997
],
[
-3.088551765700596,
4.367871795145153,
0
]
] | [
11,
58,
83,
79
] | [
1,
1,
1
] | alex<agm001374198> | F-43m | Au-Bi-Ce-Na | 0.052529 | null | null | 0.009208 | 3,333.089055 | 42.153042 |
[
[
2.1451130603521866,
7.4470741436055174,
11.107589493100111
],
[
2.1562633717313962e-8,
2.357763177748491,
9.142580756025344
],
[
1.1541043257386267e-10,
2.4403848615620625,
4.358633543100111
],
[
2.1451130389049626,
7.529695827419089,
2.3936248060253438
... | [
[
4.29022612,
0,
2.6270058427381843e-16
],
[
-2.1451130595324033,
9.88745900516758,
6.195168358744564e-16
],
[
0,
0,
13.4979119
]
] | [
20,
20,
20,
20,
39,
39,
31,
31,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm005152486> | Cmc2_1 | Ca-Ga-Te-Y | 0.055031 | null | null | 0.000059 | 4,117.387418 | 29.995708 |
[
[
1.0707788324999998,
1.8550059057672144,
1.8868109095431667
],
[
3.2123364974999995,
7.130589072503527,
5.202141564180505
],
[
3.2123364975,
2.9125293846429767,
7.873465179090317
],
[
1.0707788324999996,
6.073065593627765,
-0.7845127053666456
],
[
... | [
[
4.28311533,
0,
2.62265173963173e-16
],
[
-5.502090064286897e-16,
8.985594978270742,
-3.5251304062763285
],
[
0,
0,
10.61408288
]
] | [
19,
19,
71,
71,
47,
47,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002217691> | P2_1/m | Ag-K-Lu-Te | 0.030853 | null | null | -0.000067 | 4,044.99139 | 22.576185 |
[
[
-0.9184543902282623,
-7.268900475680129,
-4.056693417418773
],
[
1.549949834983337,
-4.63418838092756,
-2.372418927093001
],
[
1.3519663814438878,
-0.8072907440366877,
-3.2468860346759905
],
[
0.09349987625151793,
-2.109402455533328,
0.41297676587797044
... | [
[
3.9706227671909775,
0,
-0.8989676127594108
],
[
0.4335119912156259,
-8.076191219716817,
1.9147659579052356
],
[
-3.9706227671909775,
0,
-8.31937779724059
]
] | [
69,
69,
69,
69,
69,
69,
14,
14,
50,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004598412> | C2/m | Se-Si-Sn-Tm | 0.061087 | null | null | -0.000178 | 2,692.890532 | 43.615749 |
[
[
-3.514451185,
-2.029069337713549,
-4.3039613944698726e-16
],
[
0,
0,
-4.151307705
],
[
-3.514451185,
2.0290693377135494,
-4.151307705
],
[
-1.3745886302532586,
1.8643441118442179,
-2.5905527519958023
],
[
-5.654313739746742,
1.864344111844218... | [
[
-3.514451185000001,
-6.087208013140648,
-8.607922788939745e-16
],
[
-3.514451184999999,
6.087208013140648,
4.3039613944698726e-16
],
[
0,
0,
-8.30261541
]
] | [
55,
67,
23,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm005096126> | P312 | Br-Cs-Ho-V | 0.012113 | null | null | 0.008474 | 5,783.549924 | 7.987802 |
[
[
1.2090220116712782,
-6.850478554648422,
-6.4035575775078355
],
[
-0.6597972747368807,
-3.3533378300738557,
-2.888705416598416
],
[
2.813778238914901,
-5.101908192361139,
0.6223394929074582
],
[
0.9351048337080979,
-1.6885595753272915,
-7.602814056462829
... | [
[
5.078331740895406,
0,
-1.1599208300788293
],
[
0.5492247369343962,
-10.203816384722279,
2.404599815893746
],
[
-5.078331740895406,
0,
-10.53694197992117
]
] | [
55,
55,
19,
19,
19,
81,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004620315> | C2/m | Cs-I-K-Tl | 0.01172 | null | null | -0.00001 | 5,502.7365 | 11.052219 |
[
[
2.203719625,
0,
2.584355022906942
],
[
-1.349389092487228e-16,
2.203719625,
8.191302437093057
],
[
2.203719625,
2.203719625,
5.38782873
],
[
0,
0,
5.38782873
],
[
2.203719625,
0,
9.487747755440136
],
[
-1.349389092487228e-16,
... | [
[
4.40743925,
0,
2.698778184974456e-16
],
[
-2.698778184974456e-16,
4.40743925,
2.698778184974456e-16
],
[
0,
0,
10.77565746
]
] | [
57,
57,
81,
32,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm004512807> | P-4m2 | Ge-La-Pd-Tl | 0.065538 | null | null | 0.000143 | 5,337.736818 | 89.128792 |
[
[
3.790729450213334,
5.180122591587663,
3.757689202131681
],
[
2.161646619786665,
1.8597392363019039,
3.214293331484563
],
[
0.8145414152133348,
1.8597392363019039,
8.146533011484564
],
[
5.137834654786665,
5.180122591587663,
-1.1745504778683185
],
[
... | [
[
5.95237607,
0,
3.6447791507234006e-16
],
[
-4.310672126982297e-16,
7.039861827889567,
-2.8924968263837565
],
[
0,
0,
9.86447936
]
] | [
32,
32,
32,
32,
34,
34,
34,
34,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003727637> | P2_1/c | F-Ge-Se | 0.094183 | null | null | -0.000013 | 1,790.70658 | 9.14251 |
[
[
0,
0,
2.305476125
],
[
-1.2774274045477233e-16,
2.08619727,
1.2774274045477233e-16
],
[
2.08619727,
0,
1.2774274045477233e-16
],
[
2.08619727,
2.08619727,
2.3054761250000007
]
] | [
[
4.17239454,
0,
2.5548548090954465e-16
],
[
-2.5548548090954465e-16,
4.17239454,
2.5548548090954465e-16
],
[
0,
0,
4.61095225
]
] | [
72,
47,
47,
50
] | [
1,
1,
1
] | alex<agm001247584> | P4/mmm | Ag-Hf-Sn | 0.079199 | null | null | 0 | 1,863.858677 | 90.388153 |
[
[
0.543647283314295,
0,
1.5080855422511565
],
[
3.2765737281724583,
2.14778381,
3.1630384703840178
],
[
2.1715515890484096,
2.14778381,
0.09769096007391091
],
[
1.5708016055133676,
0,
4.357426594144539
]
] | [
[
3.7812851934752425,
0,
-1.3631093529522404
],
[
-2.630276568177007e-16,
4.29556762,
2.630276568177007e-16
],
[
0,
0,
5.92622478
]
] | [
59,
67,
32,
78
] | [
1,
1,
1
] | alex<agm005204609> | Amm2 | Ge-Ho-Pr-Pt | 0.087804 | null | null | 0.00003 | 4,988.786315 | 82.784531 |
[
[
0,
0,
0
],
[
2.7072899627988365,
3.7457247279758903,
6.256302489622076
],
[
3.163507140034136,
2.9987566851574665,
1.8540795700079962
],
[
0,
0,
4.145645675
],
[
4.724863892637809,
5.51885475918748,
1.6084532686224942
],
[
4.58523... | [
[
6.208202605657464,
0,
-0.05902270140485881
],
[
-0.3374055028244915,
6.744481413133357,
-0.12188658896506903
],
[
0,
0,
8.29129135
]
] | [
25,
32,
32,
82,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004898636> | P-1 | Cl-Ge-Mn-Pb | 0.030139 | null | null | 0.014411 | 1,697.894491 | 14.56615 |
[
[
-2.8715216800000003,
-1.6578738149318468,
-4.970173029516185
],
[
-2.8715216800000003,
1.6578738149318462,
-2.4372243204838147
],
[
0,
0,
0
],
[
0,
0,
-3.703698675
],
[
-2.8715216800000003,
-1.6578738149318468,
-1.7117408610658758
],
... | [
[
-2.8715216800000003,
-4.97362144479554,
-7.03319966818846e-16
],
[
-2.8715216799999994,
4.97362144479554,
3.51659983409423e-16
],
[
0,
0,
-7.40739735
]
] | [
56,
56,
56,
25,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004667631> | P-3m1 | Ba-Mn-O-Si | 0.006854 | null | null | 0.023649 | 1,791.798217 | 75.313911 |
[
[
1.4827347144886072,
1.4493150075,
0.025921514769371237
],
[
3.663549562239043,
4.3479450225,
5.375112423523481
],
[
0.910576540977574,
1.4493150075,
3.3676099842154024
],
[
4.235707735750076,
4.3479450225,
2.0334239540774504
],
[
3.86078188493864... | [
[
5.14628427672765,
0,
-1.6233770817071473
],
[
-3.549797969782195e-16,
5.79726003,
3.549797969782195e-16
],
[
0,
0,
7.02441102
]
] | [
56,
56,
25,
25,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005049202> | P2_1/m | Ba-Mn-O-Si | 0.084763 | null | null | 0.047741 | 1,669.871562 | 79.783607 |
[
[
2.315331445,
2.315331445,
4.713830805223478
],
[
0,
0,
0.0076902102234775995
],
[
2.315331445,
2.315331445,
7.834069129273363
],
[
0,
0,
3.127928534273362
],
[
2.315331445,
2.315331445,
1.5665948585450686
],
[
0,
0,
6.2727... | [
[
4.63066289,
0,
2.8354632430844663e-16
],
[
-2.8354632430844663e-16,
4.63066289,
2.8354632430844663e-16
],
[
0,
0,
9.41228119
]
] | [
24,
24,
50,
50,
46,
46,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005101800> | P4_2nm | Cr-O-Pd-Sn | 0.062903 | null | null | 0.019838 | 3,490.75226 | 178.198715 |
[
[
-1.0080882131298685e-16,
1.6463329897758912,
6.32293386977589
],
[
-4.719096085451826e-16,
7.7068687702241085,
3.030267890224109
],
[
-1.8555039361609787e-16,
3.0302678902241085,
1.6463329897758912
],
[
-3.8716803624207155e-16,
6.32293386977589,
7.706868... | [
[
3.05909078,
0,
1.87315286601409e-16
],
[
-5.727184298581695e-16,
9.35320176,
5.727184298581695e-16
],
[
0,
0,
9.35320176
]
] | [
72,
72,
72,
72,
23,
23,
5,
5,
5,
5,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm005134275> | P4/mbm | B-Hf-Ru-V | 0 | null | null | -0.000064 | 5,548.646022 | 227.808502 |
[
[
1.1688874704396877,
-0.915296510130547,
2.3869869899999996
],
[
2.6023320451206438,
0.9152965101305468,
0.5402524867426148
],
[
1.4334445746809563,
1.8305930202610936,
2.927239476742615
],
[
0,
0,
0
]
] | [
[
0.9043303661984191,
-3.661186040522187,
1.8467345032573852
],
[
3.771219515560331,
0,
-1.8467345032573852
],
[
-0.9043303661984191,
3.661186040522187,
2.927239476742615
]
] | [
41,
50,
44,
45
] | [
1,
1,
1
] | alex<agm005182101> | I-4m2 | Nb-Rh-Ru-Sn | 0.013702 | null | null | 0.000028 | 6,350.740404 | 194.669128 |
[
[
2.784027476941901,
7.739542594173935,
12.74211725589138
],
[
-2.9430518702186397e-10,
2.5354569683577037,
10.752110135259668
],
[
-2.8197234106739736e-8,
3.075228805948362,
4.969506320891379
],
[
2.784027449038972,
8.279314431764591,
2.9794992002596685
... | [
[
5.5680549,
0,
3.409450305380868e-16
],
[
-2.784027451255333,
10.814771400122297,
6.838040223698633e-16
],
[
0,
0,
15.54522187
]
] | [
55,
55,
55,
55,
19,
19,
81,
81,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm005162925> | Cmc2_1 | Cs-I-K-Tl | 0.046215 | null | null | 0.000055 | 5,464.671045 | 7.869595 |
[
[
2.220446049250313e-16,
7.995687437640207,
9.146567003792688e-17
],
[
0,
0,
0
],
[
1.6511213100936296e-16,
2.6652291458800703,
-2.6115786977420886e-16
],
[
2.220446049250313e-16,
5.330458291760138,
-4.832024746992402e-16
]
] | [
[
1.2564010683118847,
3.5536388611734253,
2.1761504850000004
],
[
1.2564010683118847,
3.5536388611734253,
-2.1761504849999995
],
[
-2.512802136623769,
3.5536388611734253,
0
]
] | [
30,
27,
50,
44
] | [
1,
1,
1
] | alex<agm001308809> | F-43m | Co-Ru-Sn-Zn | 0.081753 | null | null | 0.000102 | 3,725.109119 | 158.469498 |
[
[
-5.198961859735706,
0,
6.515070713707499
],
[
-7.533426092127988,
0,
2.5375577705339665
],
[
-10.716523078742622,
-3.6587328221368622,
7.932864251940112
],
[
-8.38205884635034,
-3.6587328221368622,
-0.6182202448863541
],
[
-9.54929096254648,
... | [
[
-6.366193975931846,
0,
-1.7379844778792657
],
[
-3.1830969852633437,
-7.3174656442737245,
-0.8689922382480787
],
[
-6.366193975931846,
0,
10.790612962120735
]
] | [
37,
37,
37,
37,
81,
81,
31,
31,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004769345> | Fddd | Ga-Rb-Se-Tl | 0.047252 | null | null | -0.000021 | 4,056.706764 | 12.40506 |
[
[
-2.2121811352191814e-16,
3.6127659611887903,
2.9613864014202154
],
[
2.09089549,
0.5939906527541546,
1.4834821688761946
],
[
2.09089549,
1.7326627205828806,
4.327297356824161
],
[
-1.486278896128854e-16,
2.4272776398283313,
0.0006483727370420792
]
] | [
[
4.18179098,
0,
2.5606084691801364e-16
],
[
-2.561563486474861e-16,
4.183350641602659,
-1.675026050042319
],
[
0,
0,
6.06143852
]
] | [
62,
67,
31,
50
] | [
1,
1,
1
] | alex<agm005206841> | Amm2 | Ga-Ho-Sm-Sn | 0.033028 | null | null | 0.000701 | 2,580.404044 | 58.137825 |
[
[
4.45074161,
-3.944994613652991,
2.2776437021441778
],
[
4.45074161,
-2.3072150601549094e-16,
3.0225335357116423
],
[
4.45074161,
3.9449946136529914,
2.27764370214418
],
[
2.2253708049999994,
1.5335378778796311,
0.8853885066062929
],
[
2.225370804... | [
[
4.45074161,
0,
2.7252932332592187e-16
],
[
-4.0184246262275493e-16,
6.562585439369674,
3.788910470000001
],
[
4.0184246262275493e-16,
-6.562585439369674,
3.7889104699999985
]
] | [
57,
57,
57,
49,
49,
49,
27,
32,
32
] | [
1,
1,
1
] | alex<agm002333622> | P-62m | Co-Ge-In-La | 0.039734 | null | null | 0.000483 | 2,502.508314 | 52.590027 |
[
[
2.966532825024396,
4.192134709802438,
2.335505314407072
],
[
6.16644462539016,
6.306521695197562,
7.037475436765598
],
[
3.433290775707133,
2.806969560197562,
7.068434930309981
],
[
0.23337897534136823,
0.6925825748024381,
2.3664648079514543
],
[
... | [
[
6.399823600731529,
0,
0.05042372471705252
],
[
-4.2857153205770364e-16,
6.99910427,
4.2857153205770364e-16
],
[
0,
0,
9.35351652
]
] | [
62,
62,
62,
62,
21,
21,
13,
13,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004959707> | P2_1/c | Al-S-Sc-Sm | 0.037 | null | null | -0.000019 | 2,396.091056 | 52.966778 |
[
[
-0.1337577032052891,
-0.08087832358297917,
-7.922425410087562
],
[
-5.569220803521971,
-3.3675013211089446,
-4.361595264672697
],
[
-1.0882500871380962,
-0.658024476928069,
-4.338299667701504
],
[
-2.4079680002846193,
-1.45600896574589,
-7.80743573710203... | [
[
-1.946424986495721,
-3.710476099688487,
-1.1158466860737515
],
[
-4.190012304804648,
0,
-1.1158466860737515
],
[
0,
0,
-8.42468646
]
] | [
30,
51,
51,
52
] | [
1,
1,
1
] | alex<agm004361637> | R3m | Sb-Te-Zn | 0.087218 | null | null | -0.000058 | 3,613.700579 | 34.598976 |
[
[
-3.296821108757737,
-1.982112361928503,
-1.703380575107717
],
[
-4.370091604074094,
-2.6273832596452658,
-4.865121574438885
],
[
-1.2379445460388923,
-0.7442761093610698,
-2.5003274416971206
],
[
-2.171717027390155,
-1.3056781137338216,
-6.22236227339196... | [
[
-1.6432709043346883,
-3.0944756716473814,
-0.8723337348675084
],
[
-3.5037292914051528,
0,
-0.8723337348675084
],
[
0,
0,
-7.4725329
]
] | [
58,
68,
6,
17
] | [
1,
1,
1
] | alex<agm005200707> | R3m | C-Ce-Cl-Er | 0.002643 | null | null | 0.013559 | 2,852.133519 | 80.864143 |
[
[
1.94751567,
0,
1.9555408950000002
],
[
-1.1949082906669804e-16,
1.95143333,
1.9555408950000002
],
[
0,
0,
0
],
[
1.9475156699999998,
1.95143333,
2.387417706444387e-16
]
] | [
[
3.89503134,
0,
2.3850188315548133e-16
],
[
-2.389816581333961e-16,
3.90286666,
2.389816581333961e-16
],
[
0,
0,
3.91108179
]
] | [
75,
77,
44,
74
] | [
1,
1,
1
] | alex<agm005213130> | Pmmm | Ir-Re-Ru-W | 0.041799 | null | null | 0.000009 | 5,973.958519 | 334.732056 |
[
[
0,
0,
0
],
[
-6.1260413003408205,
-4.330046445278103,
-15.911721510088055
],
[
-4.593315770546306,
0,
-13.262577295044029
],
[
-10.719357070887128,
-4.330046445278103,
-18.560865725132086
],
[
-6.1260413003408205,
-4.330046445278103,
-10.... | [
[
-3.0654510595890287,
-8.660092890556205,
-5.298288430088057
],
[
-9.186631541092613,
0,
-5.298288430088057
],
[
0,
0,
-10.61343308
]
] | [
55,
55,
55,
55,
19,
81,
81,
81,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004736342> | R-3m | Cs-I-K-Tl | 0.010065 | null | null | -0.000007 | 5,606.753793 | 9.745769 |
[
[
-2.5799093018050265,
-0.3347937093494616,
-1.1033809181873102
],
[
-0.821112032436245,
-1.4329512736275936,
-6.005192404227924
],
[
-0.8550875972311605,
-5.6597392982555865,
-5.405614101725497
],
[
1.015616763429388,
-2.395107810350357,
-1.10338091818731... | [
[
3.5131359637690243,
-5.994533007605048,
0.9586350800435958
],
[
-6.948132862805211,
0,
0.9586350800435958
],
[
0,
0,
-8.42626518
]
] | [
59,
59,
59,
59,
59,
59,
76,
76,
44,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004626707> | C2/m | Br-Os-Pr-Ru | 0.082905 | null | null | 0.000688 | 5,454.590598 | 57.593769 |
[
[
-4.913809577481002,
-2.957851491183086,
-5.582528163348784
],
[
-0.32970065926144065,
-0.19846222594983573,
-7.037154972354818
],
[
-2.6076798645017645,
-1.5696843058575918,
-6.365533205889998
],
[
-3.6065839784935516,
-2.170971347313148,
-2.413157625833... | [
[
-1.8550798276438483,
-3.5023646069578716,
-1.0016693097319225
],
[
-3.9633166675150115,
0,
-1.0016693097319225
],
[
0,
0,
-8.34168534
]
] | [
62,
68,
45,
53
] | [
1,
1,
1
] | alex<agm005201464> | R3m | Er-I-Rh-Sm | 0.047258 | null | null | -0.00002 | 4,415.192634 | 52.052605 |
[
[
-1.9971337497446977,
-1.199164640930991,
-8.044342700781597
],
[
-0.7961286827206059,
-0.4780297594347701,
-4.848809648412601
],
[
-4.182007050888858,
-2.51105614943971,
-7.222336676112669
],
[
-3.1959524599096114,
-1.9189867401269185,
-3.149072644659119... | [
[
-1.759110872680136,
-3.3035111610591574,
-0.9165572869036792
],
[
-3.7426804637350344,
0,
-0.9165572869036792
],
[
0,
0,
-8.09973066
]
] | [
57,
65,
6,
53
] | [
1,
1,
1
] | alex<agm005200596> | R3m | C-I-La-Tb | 0.035946 | null | null | 0.003565 | 3,522.464735 | 42.569077 |
[
[
0,
0,
-3.786769145
],
[
0,
0,
0
],
[
-0.7086397418792824,
-3.6528762110864235,
-4.110809225748782
],
[
-3.3108056588265233,
-1.6983052690179457,
-0.3240400807487828
],
[
-3.154176314946241,
-1.8159546326614469,
-4.110809225748782
],
[... | [
[
1.552353703021519,
-5.351181480104369,
1.5693444917512178
],
[
-5.571799103727324,
0,
1.5693444917512178
],
[
0,
0,
-7.57353829
]
] | [
21,
21,
48,
48,
33,
33,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005064232> | C2/c | As-Cd-O-Sc | 0.0219 | null | null | 0.000092 | 2,203.49897 | 100.536194 |
[
[
4.440892098500626e-16,
8.204589941317803,
1.1360919477398921e-15
],
[
-2.220446049250313e-16,
2.7348633137726,
7.178716610045653e-16
],
[
0,
0,
0
],
[
2.220446049250313e-16,
5.469726627545202,
1.3840054757796592e-15
]
] | [
[
1.2892269298579462,
3.646484418363468,
2.2330065450000003
],
[
1.2892269298579462,
3.646484418363468,
-2.2330065449999994
],
[
-2.578453859715892,
3.646484418363468,
0
]
] | [
12,
73,
77,
45
] | [
1,
1,
1
] | alex<agm001383988> | F-43m | Ir-Mg-Rh-Ta | 0.010371 | null | null | 0.000298 | 6,901.061007 | 186.7155 |
[
[
-2.1429900706752053e-16,
3.4997683775717836,
2.6275520873734424
],
[
2.16691542,
3.4997683775717836,
-1.1799065426265574
],
[
0,
0,
0
],
[
2.16691542,
0,
3.80745863
],
[
-1.1360691551000387e-16,
1.8553417293721166,
5.250283637167813
],
... | [
[
4.33383084,
0,
2.6537060331260424e-16
],
[
-4.2859801413504105e-16,
6.999536755143567,
-2.359813085253115
],
[
0,
0,
7.61491726
]
] | [
20,
20,
57,
49,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004859484> | P2/m | Ca-In-La-Se | 0.084505 | null | null | -0.00002 | 2,124.875459 | 36.960175 |
[
[
2.570573025,
2.570573025,
2.6544446600000002
],
[
0,
0,
2.65444466
],
[
-1.5740220135203894e-16,
2.570573025,
1.5740220135203894e-16
],
[
2.570573025,
0,
1.5740220135203894e-16
],
[
0,
0,
0
]
] | [
[
5.14114605,
0,
3.148044027040779e-16
],
[
-3.148044027040779e-16,
5.14114605,
3.148044027040779e-16
],
[
0,
0,
5.30888932
]
] | [
11,
48,
49,
49,
45
] | [
1,
1,
1
] | alex<agm001637878> | P4/mmm | Cd-In-Na-Rh | 0.093265 | null | null | 0.000139 | 3,077.612943 | 48.775814 |
[
[
5.551115123125783e-16,
10.749965737795224,
3.4130808290733234e-16
],
[
6.901276238292393e-17,
3.583321912598409,
-4.2760685881049186e-16
],
[
6.661338147750939e-16,
7.166643825196816,
-2.0556225388546055e-16
],
[
0,
0,
0
],
[
-0.9016394379595618,... | [
[
1.6891941490484554,
4.77776255013121,
2.9257700900000003
],
[
1.6891941490484554,
4.77776255013121,
-2.9257700899999994
],
[
-3.3783882980969104,
4.77776255013121,
0
]
] | [
38,
38,
70,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002366122> | Fm-3m | O-Os-Sr-Yb | 0 | null | null | 0.014102 | 4,477.86689 | 121.149551 |
[
[
2.489776785418298,
0,
2.6551696527071025
],
[
0,
0,
0
],
[
4.273097658879196,
2.087209937805018,
5.142265115036909
],
[
6.409957847522796,
3.2512150549207917,
5.979304474986828
],
[
5.77711858414756,
3.2336056409079466,
3.4326187425977563... | [
[
4.979553570836596,
0,
0.020990105414204492
],
[
2.4106087723373997,
3.749116769998634,
2.3416267574984126
],
[
0,
0,
5.2893492
]
] | [
13,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270682> | P-1 | Al-F-Pd | 0.070067 | null | null | 0.010117 | 4,241.557311 | 37.653103 |
[
[
6.661338147750939e-16,
14.040968753321451,
3.5288797883836773e-16
],
[
-7.119472527517987e-16,
4.680322917773816,
-2.069781603886156e-15
],
[
4.440892098500626e-16,
9.360645835547633,
-8.485362767984837e-16
],
[
0,
0,
0
],
[
-1.1262899674010487,
... | [
[
2.2063253822004496,
6.240430557031756,
3.821467660000001
],
[
2.2063253822004496,
6.240430557031756,
-3.8214676599999993
],
[
-4.412650764400898,
6.240430557031756,
0
]
] | [
37,
37,
11,
65,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1114015 | Fm-3m | Cl-Na-Rb-Tb | 0.014489 | 5.1216 | null | null | 3,269.017551 | 16.88365 |
[
[
-2.7284147658608022,
-1.719667969417871,
-4.338042977521563
],
[
0,
0,
0
],
[
-3.760729809700779,
-2.370316520896346,
-7.402951413052744
],
[
-1.6960997220208256,
-1.069019417939396,
-1.2731345419903826
]
] | [
[
-1.6445407295359828,
-3.439335938835742,
-1.4123092775215633
],
[
-3.812288802185621,
0,
-1.4123092775215633
],
[
0,
0,
-5.8514674
]
] | [
38,
4,
29,
29
] | [
1,
1,
1
] | alex<agm003172580> | R-3m | Be-Cu-Sr | 0.088529 | null | null | -0.000066 | 2,188.170825 | 62.934933 |
[
[
0.9031181275,
0.0762650409540571,
2.4916829380437058
],
[
2.7093543824999995,
7.8237371295961,
3.2942380040629313
],
[
0.9031181274999998,
3.6937702818748686,
-0.10095232974180812
],
[
2.7093543824999995,
4.206231888675288,
5.8868732718484456
],
[
... | [
[
3.61247251,
0,
2.2120014481896525e-16
],
[
-4.837356185710696e-16,
7.900002170550157,
-3.816657077893362
],
[
0,
0,
9.60257802
]
] | [
37,
37,
23,
23,
28,
28,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005025258> | P2_1/m | Ni-Rb-Se-V | 0.008966 | null | null | 0.000929 | 2,833.724591 | 36.803242 |
[
[
5.5306054475813955,
5.448556942262502,
2.04055679969464
],
[
2.737387019498595,
3.219565357737498,
6.021351136038331
],
[
0.0558314085842046,
0.33019125773749797,
5.979493427617978
],
[
2.8490498366670045,
2.559182842262502,
1.9986990912742868
],
[
... | [
[
5.5864368561656,
0,
0.02923077731261727
],
[
-3.5384627431042646e-16,
5.7787482,
3.5384627431042646e-16
],
[
0,
0,
7.99081945
]
] | [
58,
58,
58,
58,
40,
40,
75,
75,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm004971430> | P2_1/c | Ce-N-Re-Zr | 0.082314 | null | null | -0.000188 | 2,746.448514 | 168.346893 |
[
[
0,
0,
2.78574454
],
[
1.9882132749999997,
1.988213275,
4.15394408347302
],
[
1.9882132749999997,
1.988213275,
1.4175449965269815
],
[
1.988213275,
0,
1.217429511625513e-16
],
[
-1.217429511625513e-16,
1.988213275,
1.217429511625513e-16
... | [
[
3.97642655,
0,
2.434859023251026e-16
],
[
-2.434859023251026e-16,
3.97642655,
2.434859023251026e-16
],
[
0,
0,
5.57148908
]
] | [
62,
13,
13,
27,
27,
5
] | [
1,
1,
1
] | alex<agm002200164> | P4/mmm | Al-B-Co-Sm | 0.086062 | null | null | 0.000007 | 2,582.399771 | 137.558182 |
[
[
0,
0,
0
],
[
2.2310537699999995,
3.654195151728305,
-1.3125441846437655
],
[
-2.237549198011923e-16,
3.654195151728305,
2.5969617203562345
],
[
-3.366693181764263e-16,
5.498227218016306,
0.12861656846533162
],
[
-1.1084052142595828e-16,
1.810... | [
[
4.46210754,
0,
2.732252858156135e-16
],
[
-4.475098396023846e-16,
7.30839030345661,
-2.6250883692875315
],
[
0,
0,
7.81901181
]
] | [
52,
52,
33,
82,
82,
82,
82,
34
] | [
1,
1,
1
] | alex<agm004858641> | P2/m | As-Pb-Se-Te | 0.067398 | null | null | 0.000735 | 2,578.623351 | 33.314922 |
[
[
-1.0916943881157333e-16,
1.7828722352858202,
1.6496798502475936
],
[
-3.4315795779563195e-16,
5.60419474471418,
1.6496798502475938
],
[
2.247447005,
1.9106612547141801,
5.990139419752407
],
[
2.2474470049999997,
5.4764057252858205,
5.990139419752408
],... | [
[
4.49489401,
0,
2.752328780926556e-16
],
[
-4.523273966072053e-16,
7.38706698,
4.523273966072053e-16
],
[
0,
0,
7.63981927
]
] | [
65,
65,
65,
65,
30,
30,
32,
32,
82,
82
] | [
1,
1,
1
] | alex<agm005000723> | Pmmn | Ge-Pb-Tb-Zn | 0.088981 | null | null | -0.000138 | 2,443.9617 | 62.444653 |
[
[
1.4677340621555198e-8,
4.227517171855687,
6.434091427413562
],
[
1.7406158916169467,
1.5134158700648865,
0.6501282224135616
],
[
1.7406158916169467,
1.5134158700648865,
5.133834982586439
],
[
1.4677340621555198e-8,
4.227517171855687,
10.917798187586438
... | [
[
3.48123182,
0,
2.1316397027264576e-16
],
[
-1.7406159137057127,
5.740933041920573,
3.673330878483656e-16
],
[
0,
0,
11.56792641
]
] | [
58,
58,
58,
58,
62,
62,
27,
27,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm004784068> | Cmcm | Ce-Co-N-Sm | 0.0733 | null | null | 0.017238 | 2,789.776667 | 146.359222 |
[
[
-1.6322654761217532,
-1.1636882459281281,
-2.767150943304557
],
[
-4.884584893468708,
-3.482358789008441,
-8.28075082965543
],
[
-3.2584251847952315,
-2.3230235174682847,
-5.5239508864799935
],
[
0,
0,
0
],
[
-5.197038406278357,
-3.0504316391... | [
[
-1.6022759849019557,
-4.6460470349365695,
-2.716310286479994
],
[
-4.914574384688507,
0,
-2.716310286479994
],
[
0,
0,
-5.6152812
]
] | [
63,
63,
12,
50,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002177378> | R-3 | Eu-Mg-O-Sn | 0.090351 | null | null | 0.093788 | 2,195.942125 | 127.751892 |
[
[
7.4424450151612875,
0.38177186026891263,
8.073063437004404
],
[
3.673421871561945,
3.4749684697310874,
2.6893257525564027
],
[
0.09560127203739688,
7.3317087997310875,
2.6944119318916
],
[
3.8646244156367398,
4.238512190268913,
8.078149616339601
],
[... | [
[
7.538046287198685,
0,
0.021612508896002806
],
[
-4.723144700277007e-16,
7.71348066,
4.723144700277007e-16
],
[
0,
0,
10.74586286
]
] | [
37,
37,
37,
37,
11,
11,
65,
65,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004931908> | P2_1/c | Cl-Na-Rb-Tb | 0 | null | null | -0 | 3,269.017551 | 11.656393 |
[
[
1.8118817,
1.8118817,
6.753085457182828
],
[
0,
0,
0.7338349297193992
],
[
1.8118817,
1.8118817,
3.2970512557284373
],
[
0,
0,
4.792965146780337
]
] | [
[
3.6237634,
0,
2.218915124338665e-16
],
[
-2.218915124338665e-16,
3.6237634,
2.218915124338665e-16
],
[
0,
0,
8.72804213
]
] | [
57,
59,
66,
29
] | [
1,
1,
1
] | alex<agm005194458> | P4mm | Cu-Dy-La-Pr | 0.057098 | null | null | 0.000288 | 2,899.008072 | 43.559464 |
[
[
-2.951842105,
-1.7042468339270216,
-5.018256143702338
],
[
0,
0,
0
],
[
-2.951842105,
1.7042468339270218,
-2.2825873162976626
],
[
0,
0,
-3.65042173
],
[
-2.951842105,
-1.7042468339270216,
-1.1642965351509056
],
[
-2.951842105,
... | [
[
-2.9518421050000003,
-5.112740501781065,
-7.22992797095327e-16
],
[
-2.9518421049999994,
5.112740501781065,
3.614963985476635e-16
],
[
0,
0,
-7.30084346
]
] | [
56,
56,
56,
58,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004674061> | P-3m1 | Ba-Ce-O-Rh | 0.033732 | null | null | 0.009073 | 3,437.623087 | 138.093338 |
[
[
1.990672761315293e-8,
1.5533898601894625,
10.285415745
],
[
1.9994029947179752,
5.124346228014414,
3.4284719150000003
],
[
1.9718510136413957e-8,
4.902378280442518,
7.81906986939588
],
[
1.9994029949061927,
1.7753578077613592,
0.9621260393958797
],
[... | [
[
3.99880603,
0,
2.448562502525317e-16
],
[
-1.9994030153752973,
6.6777360882038765,
4.2682837715167805e-16
],
[
0,
0,
13.71388766
]
] | [
56,
56,
69,
69,
69,
69,
46,
46,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004779496> | Cmcm | Ba-Pd-S-Tm | 0.048239 | null | null | 0.000127 | 3,300.387837 | 48.548992 |
[
[
3.733817245546278,
3.4836749447857427,
7.299499700630623
],
[
1.1230446205385824,
1.8928661239767297,
2.829645959411706
],
[
0,
0,
0
],
[
2.5584188537184764,
4.320333393514631,
4.640609007209314
],
[
2.2984430123663837,
1.056207675247841,
... | [
[
3.639140859580903,
0,
1.1157658446520782
],
[
1.2177210065039572,
5.376541068762473,
2.5208528753902497
],
[
0,
0,
6.49252694
]
] | [
62,
62,
25,
16,
16,
8,
8
] | [
1,
1,
1
] | alex<agm004544472> | C2/m | Mn-O-S-Sm | 0.046073 | null | null | 0.039362 | 2,459.677375 | 69.523102 |
[
[
-1.0595269690406985,
-8.74088539331245,
-4.881508242002129
],
[
1.8225833911815195,
-5.571413118745292,
-2.8778726279765006
],
[
1.639223616543254,
-1.280707223746698,
-3.722657535049166
],
[
0.055966558052895944,
-2.527179284090556,
0.2578519562547248
... | [
[
4.674241133120417,
0,
-1.0145398054997763
],
[
0.5796966475025563,
-10.021592617059149,
2.6708088729487067
],
[
-4.674241133120417,
0,
-10.260434844500224
]
] | [
56,
56,
56,
56,
56,
56,
49,
15,
15,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004620860> | C2/m | Ba-I-In-P | 0.060508 | null | null | 0.002576 | 3,089.603931 | 15.275959 |
[
[
-3.624917185,
-2.0928469125498506,
-3.6364037125000004
],
[
-3.624917184999999,
2.09284691254985,
-10.9092111375
],
[
-3.624917184999999,
2.09284691254985,
-3.6364037125
],
[
-3.624917185,
-2.0928469125498506,
-10.9092111375
],
[
0,
0,
0
... | [
[
-3.624917185000001,
-6.278540737649552,
-8.878486455568968e-16
],
[
-3.6249171849999993,
6.278540737649552,
4.439243227784484e-16
],
[
0,
0,
-14.54561485
]
] | [
69,
69,
48,
48,
49,
49,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm005084353> | P-31c | Br-Cd-In-Tm | 0.008548 | null | null | 0.00008 | 4,805.337382 | 6.428101 |
[
[
1.6126607881111363,
4.723795910803839,
8.058077347982026
],
[
-5.826250165703057e-10,
1.4570669911557883,
6.964429857283763
],
[
-7.417668717573695e-10,
1.8550594514969265,
3.0367542229820255
],
[
1.6126607879519943,
5.121788371144978,
1.943106732283763
... | [
[
3.22532158,
0,
1.974939874583942e-16
],
[
-1.6126607926306311,
6.578855362300766,
4.1476498589647287e-16
],
[
0,
0,
10.04264625
]
] | [
66,
66,
66,
66,
73,
73,
24,
24,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm005162884> | Cmc2_1 | Cr-Dy-N-Ta | 0.01518 | null | null | 0.003961 | 3,382.685927 | 208.03595 |
[
[
-3.4207941787754508,
3.322918684820144,
-0.8306602841455695
],
[
-2.6547309343615275,
-0.03565004273921771,
-1.8857612181498904
],
[
-4.638487833109518,
1.1345407716421931,
0.8464724086735984
],
[
-3.8724245886955937,
-2.224027955917167,
-0.2086285253307... | [
[
-2.49177426657222,
-4.478091636745814,
-2.110201868008642
],
[
0,
0,
5.54212916
],
[
-2.7780136221139573,
4.478091636745814,
-1.715963645995679
]
] | [
26,
26,
76,
76,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003754429> | I4_1md | Fe-O-Os | 0.011595 | null | null | 0.059758 | 5,938.20544 | 208.835648 |
[
[
-3.0299471677785184e-16,
2.894683511490675,
4.84445726867122e-16
],
[
0,
8.684050534472025,
1.4129806635843067e-15
],
[
0,
0,
0
],
[
0,
5.78936702298135,
1.6753817855263975e-15
]
] | [
[
1.3645668935759627,
3.8595780153209,
2.3634991900000006
],
[
1.3645668935759627,
3.8595780153209,
-2.3634991899999998
],
[
-2.729133787151925,
3.8595780153209,
0
]
] | [
69,
40,
77,
45
] | [
1,
1,
1
] | alex<agm001385116> | F-43m | Ir-Rh-Tm-Zr | 0.043713 | null | null | -0.000021 | 6,002.904641 | 154.069427 |
[
[
0,
0,
4.19082409
],
[
0,
0,
0
],
[
3.145179188472726,
3.488682070214253,
2.0436915762086376
],
[
3.145179188472726,
3.488682070214253,
6.337956603791362
],
[
4.746417156032275,
5.5415292144523844,
6.509686097939338
],
[
4.56127486... | [
[
6.82862749,
0,
4.181328399099062e-16
],
[
-0.5382691130545476,
6.977364140428506,
4.285097774058864e-16
],
[
0,
0,
8.38164818
]
] | [
37,
11,
65,
65,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004913989> | P2/m | Cl-Na-Rb-Tb | 0.053367 | null | null | 0 | 2,725.717563 | 16.510902 |
[
[
-1.13677789226496e-16,
1.856499185,
1.13677789226496e-16
],
[
0,
0,
1.856499185
],
[
1.818511195,
0,
1.1135169570851891e-16
],
[
0,
0,
0
],
[
1.8185111949999997,
1.856499185,
1.8564991850000003
]
] | [
[
3.63702239,
0,
2.2270339141703783e-16
],
[
-2.27355578452992e-16,
3.71299837,
2.27355578452992e-16
],
[
0,
0,
3.71299837
]
] | [
24,
24,
26,
1,
77
] | [
1,
1,
1
] | alex<agm001614695> | P4/mmm | Cr-Fe-H-Ir | 0.076834 | null | null | 0.002747 | 6,401.644179 | 260.829437 |
[
[
0,
0,
0
],
[
2.220446049250313e-16,
6.5357427999718265,
1.7026837328959486e-15
],
[
2.220446049250313e-16,
9.80361419995774,
1.1844087738355213e-15
],
[
-1.1102230246251565e-16,
3.2678713999859132,
5.1827495906042735e-16
]
] | [
[
1.5404893513170774,
4.357161866647885,
2.6682058250000003
],
[
1.5404893513170774,
4.357161866647885,
-2.6682058249999994
],
[
-3.0809787026341544,
4.357161866647885,
0
]
] | [
62,
68,
49,
80
] | [
1,
1,
1
] | alex<agm001404894> | F-43m | Er-Hg-In-Sm | 0.048582 | null | null | 0.004172 | 2,900.48276 | 56.98777 |
[
[
-1.105350907363967,
-7.793029990016842,
-4.731231060505652
],
[
1.664000168720947,
-4.905692787968758,
-2.7631437954913824
],
[
1.5083516785203157,
-0.8444465186056073,
-3.4293657847154204
],
[
0.07161907302469395,
-2.1136953606247277,
0.3065509607784301... | [
[
4.380027173357078,
0,
-1.0232996339257734
],
[
0.4030007711563489,
-8.637476508622449,
1.7249633147789287
],
[
-4.380027173357078,
0,
-8.862260526074227
]
] | [
38,
38,
38,
38,
38,
38,
33,
33,
34,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004605601> | C2/m | As-Cl-Se-Sr | 0.076168 | null | null | 0.000261 | 2,887.846096 | 33.105911 |
[
[
0,
0,
-4.09818671
],
[
-3.4589750816591804,
0,
-5.99850497904706
],
[
-1.2074818254918256,
-3.2413725883714855,
-5.99850497904706
],
[
-4.666456907151006,
-3.2413725883714855,
-3.8006365380941194
],
[
-1.2074818254918256,
-3.2413725883714855,... | [
[
-2.414963650983651,
-6.482745176742971,
-3.8006365380941194
],
[
-6.917950163318361,
0,
-3.8006365380941194
],
[
0,
0,
-8.19637342
]
] | [
38,
38,
38,
69,
69,
69,
12,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004696114> | R-3m | Mg-S-Sr-Tm | 0.052433 | null | null | 0.000006 | 2,502.019613 | 45.593121 |
[
[
-2.530757744999999,
1.46113366532948,
-2.145773065000001
],
[
-2.5307577450000003,
-1.4611336653294806,
-6.437319195000001
],
[
-2.5307577450000003,
-1.4611336653294806,
-2.1457730650000015
],
[
-2.530757744999999,
1.46113366532948,
-6.437319195000001
... | [
[
-2.5307577450000003,
-4.383400995988441,
-6.1985687436632465e-16
],
[
-2.5307577449999994,
4.383400995988441,
3.0992843718316232e-16
],
[
0,
0,
-8.58309226
]
] | [
33,
33,
77,
77,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005079920> | P-31c | As-Ir-O-Rh | 0.086116 | null | null | 0.007837 | 6,265.771537 | 166.917007 |
[
[
1.88089899,
0,
5.198942523354504
],
[
-1.1517184638114948e-16,
1.88089899,
2.545831306645495
],
[
1.8808989899999997,
1.88089899,
2.3034369276229895e-16
],
[
0,
0,
0
],
[
-1.1517184638114948e-16,
1.88089899,
6.236519786670107
],
[
... | [
[
3.76179798,
0,
2.3034369276229895e-16
],
[
-2.3034369276229895e-16,
3.76179798,
2.3034369276229895e-16
],
[
0,
0,
7.74477383
]
] | [
67,
67,
29,
29,
15,
15,
1,
1
] | [
1,
1,
1
] | alex<agm005203642> | P4/nmm | Cu-H-Ho-P | 0 | null | null | 0.000023 | 2,946.883548 | 86.807312 |
[
[
5.04045743219176e-16,
8.082359196779224,
9.10353964433952e-16
],
[
5.640022765882895e-16,
5.388239464519481,
9.325295091677786e-16
],
[
0,
0,
0
],
[
6.750245790508051e-16,
2.6941197322597406,
2.220446049250313e-16
]
] | [
[
1.2700202213395662,
3.5921596430129887,
2.1997395500000003
],
[
1.2700202213395662,
3.5921596430129887,
-2.1997395499999994
],
[
-2.540040442679132,
3.5921596430129887,
0
]
] | [
3,
26,
50,
77
] | [
1,
1,
1
] | alex<agm002218840> | F-43m | Fe-Ir-Li-Sn | 0.051969 | null | null | 0.05596 | 5,475.982639 | 129.277069 |
[
[
4.6430376975,
3.132577289373098,
3.9619021222127677
],
[
1.5476792324999997,
3.1588558506269013,
8.883694537787234
],
[
4.6430376975,
6.278293859373099,
8.883694537787234
],
[
1.5476792325,
0.0131392806269016,
3.9619021222127673
],
[
-9.630979321... | [
[
6.19071693,
0,
3.7907208363759145e-16
],
[
-3.8523917284752905e-16,
6.29143314,
3.8523917284752905e-16
],
[
0,
0,
12.84559666
]
] | [
58,
58,
58,
58,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003725411> | Pbcm | Ce-Pd-Sb | 0.061158 | null | null | 0.004467 | 4,131.424481 | 68.088593 |
[
[
-1.738140252939362,
-1.1881208151168405,
-4.52922599691663
],
[
-4.214064547242878,
-2.8805602979150744,
-7.648514901867844
],
[
-8.741014083737623,
-5.97499583854379,
-6.848205759912014
],
[
-5.940569315103221,
-4.060727576490211,
-12.1999768145852
],... | [
[
-2.342006638511835,
-6.00997177075949,
-3.375211263997155
],
[
-6.450174864308678,
0,
-3.375211263997155
],
[
0,
0,
-7.85088736
]
] | [
37,
11,
11,
65,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004961843> | R3 | Cl-Na-Rb-Tb | 0.016176 | null | null | 0.000007 | 2,678.527321 | 14.702714 |
[
[
3.9340146393433075,
1.6894468597711376,
3.181806725419626
],
[
1.3421658806566916,
5.068340579313412,
2.1348239762588777
],
[
2.6886113240949605,
5.068340579313412,
-1.5704741237411222
],
[
2.5875691959050386,
1.6894468597711376,
-0.523491374580374
],
... | [
[
5.27618052,
0,
3.2307287927708083e-16
],
[
-4.137951378296542e-16,
6.7577874390845505,
-2.0939654983214964
],
[
0,
0,
7.4105962
]
] | [
55,
55,
48,
48,
1,
1,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004994656> | P2/c | Cd-Cs-H-S | 0.081027 | null | null | 0.000036 | 3,256.450366 | 17.578131 |
[
[
5.551115123125783e-16,
10.000781492216433,
4.440892098500626e-16
],
[
-1.1102230246251565e-16,
3.33359383073881,
5.242326533982932e-16
],
[
0,
0,
0
],
[
3.489367022638509e-16,
6.6671876614776195,
7.462772583233245e-16
]
] | [
[
1.5714712022913688,
4.444791774318414,
2.7218679650000004
],
[
1.5714712022913688,
4.444791774318414,
-2.7218679649999995
],
[
-3.142942404582737,
4.444791774318414,
0
]
] | [
57,
39,
48,
50
] | [
1,
1,
1
] | alex<agm001315363> | F-43m | Cd-La-Sn-Y | 0.081246 | null | null | 0.000035 | 2,174.247538 | 53.81675 |
[
[
-1.929925940945298e-16,
2.9044298780841005,
2.220446049250313e-16
],
[
4.440892098500626e-16,
8.7132896342523,
8.881784197001252e-16
],
[
0,
0,
0
],
[
4.440892098500626e-16,
5.8088597561682,
1.1514630432474248e-15
]
] | [
[
1.36916137484939,
3.8725731707788,
2.3714570650000004
],
[
1.36916137484939,
3.8725731707788,
-2.3714570649999995
],
[
-2.7383227496987796,
3.8725731707788,
0
]
] | [
69,
71,
28,
45
] | [
1,
1,
1
] | alex<agm001358792> | F-43m | Lu-Ni-Rh-Tm | 0.047918 | null | null | -0.000054 | 3,911.725857 | 120.348984 |
[
[
1.43827592,
1.43827592,
3.4534175336702786
],
[
1.43827592,
1.43827592,
0.6292292082075769
],
[
0,
0,
2.0942033547472447
],
[
0,
0,
4.8843462408925
]
] | [
[
2.87655184,
0,
1.7613800017187145e-16
],
[
-1.7613800017187145e-16,
2.87655184,
1.7613800017187145e-16
],
[
0,
0,
5.73725406
]
] | [
13,
30,
27,
28
] | [
1,
1,
1
] | alex<agm005188752> | P4mm | Al-Co-Ni-Zn | 0.039627 | null | null | -0.0001 | 1,897.07553 | 163.055801 |
[
[
0,
0,
4.478993
],
[
0,
0,
0
],
[
2.041920955,
2.041920955,
1.1729257214515203
],
[
2.041920955,
2.041920955,
7.78506027854848
],
[
-1.2503159808263284e-16,
2.041920955,
2.2675409980306203
],
[
2.041920955,
0,
2.26754099803... | [
[
4.08384191,
0,
2.5006319616526567e-16
],
[
-2.5006319616526567e-16,
4.08384191,
2.5006319616526567e-16
],
[
0,
0,
8.957986
]
] | [
62,
67,
4,
4,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm005172651> | P4/mmm | Be-Ho-Pd-Sm | 0.054162 | null | null | 0.000111 | 6,131.50845 | 119.296638 |
[
[
1.6257073905929955,
1.7912841,
0.18856864717597793
],
[
4.46447024905637,
5.373852299999999,
7.5217006308467935
],
[
1.1127615698757636,
1.7912841,
4.5980996961226825
],
[
4.977416069773602,
5.373852299999999,
3.11216958190009
],
[
4.857180311410... | [
[
6.090177639649365,
0,
-1.845201961977228
],
[
-4.3873806788570946e-16,
7.1651364,
4.3873806788570946e-16
],
[
0,
0,
9.55547124
]
] | [
55,
55,
48,
48,
33,
33,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm005052304> | P2_1/m | As-Cd-Cs-S | 0.062743 | null | null | -0.000279 | 3,058.0142 | 14.423596 |
[
[
-1.2021123981552235,
1.2670645366480837,
-2.750748487097295
],
[
-5.279475725229135,
-1.2670645366480848,
-3.2487695140758395
],
[
-1.5469957186537957,
-3.5496399438819193,
-3.5399317855045562
],
[
-4.934592404730562,
3.549639943881919,
-2.45958621566857... | [
[
-6.481588123384358,
0,
2.832537298826866
],
[
-1.4546148951058955,
6.752823059348876,
-3.3285403274728926
],
[
1.4546148951058955,
-6.752823059348876,
-5.503514972527108
]
] | [
19,
19,
19,
19,
12,
12,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002160772> | Ibam | K-Mg-Te | 0 | null | null | 0.000008 | 5,103.829617 | 13.913714 |
[
[
-3.0132608341497478,
-1.7666621998018353,
-7.518027494851444
],
[
-1.020137625166178,
-0.5981024146836722,
-2.4029081485262997
],
[
-2.016699229657963,
-1.1823823072427537,
-4.960467821688872
],
[
0,
0,
0
]
] | [
[
-1.3234734377693995,
-2.3647646144855075,
-0.41311748168887175
],
[
-2.7099250215465265,
0,
-0.41311748168887175
],
[
0,
0,
-9.09470068
]
] | [
77,
77,
46,
44
] | [
1,
1,
1
] | alex<agm001979613> | R-3m | Ir-Pd-Ru | 0.037698 | null | null | 0.000189 | 8,714.411647 | 277.751526 |
[
[
8.881784197001252e-16,
14.502497777205209,
8.940537254975568e-16
],
[
-1.295972887879509e-15,
4.834165925735071,
-3.085123245760712e-15
],
[
0,
0,
0
],
[
3.8217258876527844e-16,
9.66833185147014,
1.17506115948631e-17
],
[
2.370493809608368,
1... | [
[
2.2788476716454746,
6.445554567646759,
3.947079950000001
],
[
2.2788476716454746,
6.445554567646759,
-3.947079949999999
],
[
-4.557695343290948,
6.445554567646759,
0
]
] | [
55,
55,
21,
47,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-1113451 | Fm-3m | Ag-Br-Cs-Sc | 0.019578 | 2.8546 | null | -0.000004 | 5,852.853782 | 17.561598 |
[
[
4.440892098500626e-16,
7.577877543552975,
8.881784197001252e-16
],
[
-4.235469249633883e-17,
2.525959181184326,
-6.9319033846326116e-18
],
[
1.7968991242869248e-16,
5.051918362368651,
8.881784197001252e-16
],
[
0,
0,
0
]
] | [
[
1.1907485773439037,
3.3679455749124334,
2.0624370350000003
],
[
1.1907485773439037,
3.3679455749124334,
-2.0624370349999994
],
[
-2.381497154687807,
3.3679455749124334,
0
]
] | [
25,
30,
27,
29
] | [
1,
1,
1
] | alex<agm001341909> | F-43m | Co-Cu-Mn-Zn | 0.079929 | null | null | 0.091132 | 1,966.855837 | 147.591446 |
[
[
8.934548506408339,
4.1742291822798,
4.347881812769067
],
[
5.04928030526057,
0,
8.422499838133174
],
[
1.6667093320667155,
2.234819907818468,
7.373229731290213
],
[
5.400795893549903,
2.234819907818468,
3.257628064758684
],
[
2.0182249211144527,
... | [
[
7.067505226375023,
0,
2.1805074958360824
],
[
3.5337526121000304,
6.409049090098267,
1.0902537482231964
],
[
0,
0,
8.4503503
]
] | [
59,
59,
59,
59,
59,
59,
14,
44,
44,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004627741> | C2/m | I-Pr-Ru-Si | 0.071825 | null | null | 0.001987 | 4,183.998704 | 39.816284 |
[
[
-1.7025728771534868e-8,
1.1321554190471914,
8.887461075000001
],
[
1.7121681075333224,
4.857029972833738,
2.9624870250000006
],
[
-1.6746229178644033e-8,
4.430017344976894,
6.385712948571429
],
[
1.7121681072538233,
1.5591680469040357,
0.4607388985714292... | [
[
3.42433618,
0,
2.0968011710207375e-16
],
[
-1.7121680894924063,
5.9891853918809295,
3.814232260811983e-16
],
[
0,
0,
11.8499481
]
] | [
38,
38,
39,
39,
39,
39,
32,
32,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm004774860> | Cmcm | Ge-N-Sr-Y | 0.069922 | null | null | 0.000092 | 2,261.363136 | 107.770889 |
[
[
2.67734733,
2.8317220399257326,
2.9503813956843215
],
[
0.8924491099999997,
4.642950638967798,
6.638795155442905
],
[
0.8924491099999996,
6.806471100654591,
3.164317064400999
],
[
2.67734733,
0.668201578238939,
6.424859486726228
],
[
0.8924491099... | [
[
3.56979644,
0,
2.1858698919268083e-16
],
[
-4.576916985440567e-16,
7.47467267889353,
-0.6794541488727722
],
[
0,
0,
10.2686307
]
] | [
55,
55,
66,
66,
82,
82,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005023794> | P2_1/m | Cs-Dy-O-Pb | 0.053843 | null | null | -0.000045 | 3,084.145566 | 41.24247 |
[
[
-4.467831480962466,
-0.8459666427261461,
-6.518119299883748
],
[
1.6368308254942747,
-4.242400564727044,
0.8089405201162523
],
[
0.10317990552340701,
-3.389127484644043,
-2.854589389883748
],
[
-2.934180560991598,
-1.699239722809147,
-2.8545893898837473
... | [
[
3.157349344319943,
-5.08836720745319,
0.8089405201162523
],
[
-5.988349999788134,
0,
0.8089405201162523
],
[
0,
0,
-7.32705982
]
] | [
55,
55,
66,
66,
82,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004582737> | C2/m | Cs-Dy-O-Pb | 0.084437 | null | null | 0.000066 | 3,381.766133 | 63.319855 |
[
[
0,
3.1173960852449745,
5.046344725423424e-16
],
[
8.814181845908087e-16,
9.352188255734925,
6.661338147750939e-16
],
[
6.52613344556461e-16,
6.234792170489948,
7.266790774673737e-16
],
[
0,
0,
0
]
] | [
[
1.4695546076807458,
4.1565281136599666,
2.5453432450000006
],
[
1.4695546076807458,
4.1565281136599666,
-2.5453432449999998
],
[
-2.939109215361491,
4.1565281136599666,
0
]
] | [
59,
71,
46,
79
] | [
1,
1,
1
] | alex<agm001375272> | F-43m | Au-Lu-Pd-Pr | 0.083113 | null | null | -0.000019 | 3,274.123943 | 76.30864 |
[
[
-0.9152784625757545,
-7.265410205853696,
-4.063638524416242
],
[
1.5281980683122813,
-4.629093643830074,
-2.383441910541256
],
[
1.3387861886289243,
-0.8303343760185166,
-3.224389620115286
],
[
0.08891319404767224,
-2.128555347805997,
0.3947552697744041
... | [
[
3.930663039784993,
0,
-0.8853275716214425
],
[
0.4235077260531685,
-8.095744581872212,
1.8802827554684738
],
[
-3.930663039784993,
0,
-8.282983328378558
]
] | [
67,
67,
67,
67,
67,
67,
49,
15,
15,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004606950> | C2/m | Ho-In-P-Se | 0.063829 | null | null | -0.000137 | 2,895.713266 | 52.785019 |
[
[
0,
0,
5.463045975
],
[
0,
0,
0
],
[
2.1485307311805678e-8,
6.665373123675096,
8.1945689625
],
[
2.0580401745026102,
0.611454904170566,
2.7315229875
],
[
4.930218429077802e-10,
3.6315112148556166,
2.7315229875000004
],
[
2.05804019... | [
[
4.11608039,
0,
2.5203723373233445e-16
],
[
-2.058040194012082,
7.276828027845662,
4.630547912776974e-16
],
[
0,
0,
10.92609195
]
] | [
69,
69,
25,
25,
49,
49,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002346168> | Cmcm | In-Mn-Se-Tm | 0.03811 | null | null | 0.030525 | 2,262.612636 | 17.541147 |
[
[
-1.3733294280333787e-16,
2.24281716,
7.55191431178375
],
[
2.24281716,
0,
1.0933161282162507
],
[
0,
0,
4.32261522
],
[
2.24281716,
2.24281716,
4.32261522
],
[
2.24281716,
2.24281716,
2.7466588560667573e-16
],
[
0,
0,
0
... | [
[
4.48563432,
0,
2.7466588560667573e-16
],
[
-2.7466588560667573e-16,
4.48563432,
2.7466588560667573e-16
],
[
0,
0,
8.64523044
]
] | [
59,
59,
12,
12,
1,
1,
82,
82
] | [
1,
1,
1
] | alex<agm005203830> | P4/nmm | H-Mg-Pb-Pr | 0.039716 | null | null | -0.000029 | 2,207.03087 | 35.975883 |
[
[
-3.9089393650000006,
-2.256827194628676,
-6.636346607426617
],
[
-3.9089393649999997,
2.256827194628676,
-3.8393626225733835
],
[
0,
0,
0
],
[
0,
0,
-5.237854615
],
[
-3.9089393650000006,
-2.256827194628676,
-2.135157798173492
],
[
... | [
[
-3.908939365000001,
-6.770481583886025,
-9.574140162816676e-16
],
[
-3.9089393649999993,
6.770481583886025,
4.787070081408338e-16
],
[
0,
0,
-10.47570923
]
] | [
55,
55,
55,
21,
47,
47,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004669380> | P-3m1 | Ag-Br-Cs-Sc | 0.055814 | null | null | -0 | 5,626.907951 | 10.427327 |
[
[
3.4976368682645527,
4.284997893999756,
5.26520947174698
],
[
6.995273734133481,
2.0501948092026563,
6.327533737436088
],
[
3.497636866690081,
0,
5.265209471051717
],
[
0,
0,
0
],
[
3.4976368674686262,
2.1188472652655963,
1.062324266395510... | [
[
6.995273733380162,
0,
2.124648532103433
],
[
3.4976368690178727,
6.335192703202412,
1.0623242670796338
],
[
0,
0,
8.40577041
]
] | [
55,
55,
55,
38,
66,
66,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004642956> | C2/m | Cs-Dy-S-Sr | 0.095975 | null | null | 0.002121 | 3,840.736185 | 34.071075 |
[
[
2.008452394085621,
-5.2031719100189076,
-3.316286761781136
],
[
-5.475697820164876,
-1.060005814493347,
-3.316286761781136
],
[
-1.7336227130396273,
-3.1315888622561276,
-3.316286761781136
],
[
0.14713450187358923,
-4.172761113436535,
-7.697582176781136
... | [
[
3.923230262203125,
-6.263177724512255,
1.0650086532188647
],
[
-7.39047568828238,
0,
1.0650086532188647
],
[
0,
0,
-8.76259083
]
] | [
55,
55,
55,
62,
62,
49,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004638643> | C2/m | Cs-In-Se-Sm | 0.076884 | null | null | 0.00002 | 3,458.276777 | 16.375086 |
[
[
0,
0,
0
],
[
-5.34530439658372,
-3.589958332239837,
-13.600804269819353
],
[
-3.878177634360109,
0,
-11.687507279909676
],
[
-1.4671267622236115,
-3.589958332239837,
-1.9132969899096766
],
[
-1.4671267622236115,
-3.589958332239837,
-6.800... | [
[
-2.934253524447223,
-7.179916664479674,
-3.826593979819353
],
[
-7.756355268720218,
0,
-3.826593979819353
],
[
0,
0,
-9.77421029
]
] | [
55,
55,
55,
55,
62,
62,
62,
49,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004723649> | R-3m | Cs-In-Se-Sm | 0.061317 | null | null | 0.000023 | 3,480.168584 | 18.999247 |
[
[
0,
0,
0
],
[
0.9634113554755273,
-0.9416613245683481,
6.376038065
],
[
2.804216002728494,
0.9416613245683482,
5.806754295611965
],
[
1.479521737102463,
1.5136950037220442,
9.791753790000849
],
[
2.288105621101559,
-1.5136950037220436,
2.3... | [
[
0.08601806369808704,
-3.766645298273392,
0.5692837693880353
],
[
3.7676273582040216,
0,
-0.5692837693880353
],
[
-0.08601806369808704,
3.766645298273392,
12.182792360611966
]
] | [
21,
29,
29,
83,
83,
34,
34,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002173744> | I4/mmm | Bi-Cu-O-Sc-Se | 0.099039 | null | null | 0.000161 | 3,981.582018 | 71.716858 |
[
[
8.957395034090318,
4.103149633821112,
4.421093385860717
],
[
4.983331439128197,
0,
8.434424622996662
],
[
1.7728217791573344,
2.3906135087384612,
7.430664869420626
],
[
5.380656096685471,
2.3906135087384612,
3.315125720819408
],
[
2.1701464330722... | [
[
7.153477872200495,
0,
2.211935329685046
],
[
3.576738941047158,
6.493763142559573,
1.1059676655962964
],
[
0,
0,
8.53385526
]
] | [
59,
59,
59,
59,
59,
59,
50,
44,
44,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004627865> | C2/m | I-Pr-Ru-Sn | 0.053365 | null | null | 0.000525 | 4,043.519724 | 28.491426 |
[
[
5.1341008200000005,
0.5269849240811497,
1.1950509302669001
],
[
1.7113669399999998,
3.707281331699247,
-0.0968703934896777
],
[
1.7113669399999996,
5.752016660859845,
4.540004248429719
],
[
5.1341008200000005,
2.5717202532417485,
5.8319255721862975
],
... | [
[
6.84546776,
0,
4.191640090475201e-16
],
[
-3.844779596419574e-16,
6.279001584940995,
-2.768868551303381
],
[
0,
0,
8.50392373
]
] | [
65,
65,
65,
65,
65,
65,
65,
65,
80,
80,
51,
51,
6,
6
] | [
1,
1,
1
] | alex<agm005058154> | Cmcm | C-Hg-Sb-Tb | 0.030761 | null | null | 0.000317 | 3,105.463753 | 62.144325 |
[
[
0.5031570118357779,
2.191942645,
1.4148695961010866
],
[
3.21983895795242,
0,
3.121074159963658
],
[
1.551785300491359,
2.191942645,
4.3635957759559
],
[
2.2173893229026373,
0,
0.30220150839837095
]
] | [
[
3.746087188365127,
0,
-1.3321864008210784
],
[
-2.6843555441138334e-16,
4.38388529,
2.6843555441138334e-16
],
[
0,
0,
5.9330623
]
] | [
57,
60,
46,
45
] | [
1,
1,
1
] | alex<agm005208327> | Amm2 | La-Nd-Pd-Rh | 0.011151 | null | null | -0 | 5,182.743648 | 93.338402 |
[
[
1.1102230246251565e-16,
9.379653251331746,
6.661338147750939e-16
],
[
-2.1624264942603378e-16,
3.1265510837772488,
2.220446049250313e-16
],
[
0,
0,
0
],
[
5.493095568135807e-16,
6.253102167554496,
4.440892098500626e-16
]
] | [
[
1.4738703153766948,
4.168734778369664,
2.5528182700000004
],
[
1.4738703153766948,
4.168734778369664,
-2.5528182699999995
],
[
-2.947740630753389,
4.168734778369664,
0
]
] | [
57,
60,
46,
45
] | [
1,
1,
1
] | alex<agm001395608> | F-43m | La-Nd-Pd-Rh | 0.07567 | null | null | -0.000009 | 5,182.743648 | 80.72039 |
[
[
0,
0,
5.198312050400551
],
[
0,
0,
2.056423744841515
],
[
1.620582725,
1.620582725,
0.6608725432528402
],
[
1.620582725,
1.620582725,
3.693723954511494
]
] | [
[
3.24116545,
0,
1.9846414469247452e-16
],
[
-1.9846414469247452e-16,
3.24116545,
1.9846414469247452e-16
],
[
0,
0,
6.02156284
]
] | [
22,
41,
23,
30
] | [
1,
1,
1
] | alex<agm005210112> | P4mm | Nb-Ti-V-Zn | 0.072264 | null | null | 0.000458 | 4,634.503586 | 157.086487 |
[
[
1.73383195,
0.7316608614458219,
2.256401430196497
],
[
1.7338319499999992,
10.913024678554178,
9.388284109803504
],
[
1.7338319499999992,
9.388284109803504,
0.7316608614458225
],
[
1.7338319499999997,
5.090681908554178,
8.078744200196496
],
[
1.7... | [
[
3.4676639,
0,
2.1233317478269136e-16
],
[
-7.130313436819234e-16,
11.64468554,
7.130313436819234e-16
],
[
0,
0,
11.64468554
]
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
49,
49,
49,
49,
76,
76,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm005144174> | P4/mbm | Ho-In-Os-Rh | 0.090242 | null | null | 0.000181 | 4,408.154786 | 72.584099 |
[
[
3.3306690738754696e-16,
3.1911715319609386,
-6.723295753463525e-17
],
[
6.661338147750939e-16,
9.573514595882816,
4.87878554777943e-16
],
[
1.0001627718883085e-15,
6.382343063921876,
-1.344659150692705e-16
],
[
0,
0,
0
]
] | [
[
1.5043326867860285,
4.254895375947918,
2.6055806450000003
],
[
1.5043326867860285,
4.254895375947918,
-2.6055806449999994
],
[
-3.0086653735720565,
4.254895375947918,
0
]
] | [
11,
66,
47,
82
] | [
1,
1,
1
] | alex<agm001351068> | F-43m | Ag-Dy-Na-Pb | 0.070105 | null | null | 0.000038 | 2,076.123903 | 37.247917 |
[
[
-2.5869056000000006,
-1.4935506445281508,
-2.358073047499999
],
[
-2.5869056,
1.4935506445281508,
-7.0742191425000005
],
[
0,
0,
0
],
[
0,
0,
-4.716146095
],
[
-2.5869056,
1.4935506445281508,
-2.358073047499999
],
[
-2.58690560000... | [
[
-2.5869056000000006,
-4.4806519335844515,
-6.336091325472727e-16
],
[
-2.5869055999999997,
4.4806519335844515,
3.1680456627363635e-16
],
[
0,
0,
-9.43229219
]
] | [
22,
22,
25,
25,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005074892> | P-31c | Mn-O-Te-Ti | 0.012427 | null | null | 0.045689 | 2,600.21484 | 134.507202 |
[
[
0,
0,
0
],
[
2.9500153312536814,
1.022690984868936,
1.5125710267724701
],
[
1.1854322650943472,
-1.0226909848689356,
3.0959993400000005
],
[
2.8129716062913106,
-1.5329221941139302,
1.1546532486575283
],
[
1.3224759900567185,
1.53292219411392... | [
[
0.6062814640293602,
-4.090763939475743,
1.5834283132275304
],
[
4.135447596348029,
0,
-1.5834283132275304
],
[
-0.6062814640293602,
4.090763939475743,
4.60857036677247
]
] | [
57,
22,
41,
77,
77
] | [
1,
1,
1
] | alex<agm005017582> | I-4m2 | Ir-La-Nb-Ti | 0 | null | null | 0.000003 | 7,262.500193 | 148.498627 |
[
[
4.440892098500626e-16,
9.024529914905104,
7.771561172376096e-16
],
[
-2.220446049250313e-16,
3.0081766383017,
7.674230007026494e-16
],
[
0,
0,
0
],
[
2.220446049250313e-16,
6.016353276603402,
4.440892098500626e-16
]
] | [
[
1.4180680666333905,
4.010902184402268,
2.4561659400000004
],
[
1.4180680666333905,
4.010902184402268,
-2.4561659399999995
],
[
-2.8361361332667805,
4.010902184402268,
0
]
] | [
20,
39,
46,
45
] | [
1,
1,
1
] | alex<agm001320652> | F-43m | Ca-Pd-Rh-Y | 0.07572 | null | null | 0.000038 | 5,810.883471 | 82.961693 |
[
[
2.12011942,
0,
3.65698052
],
[
-2.065054178868856e-16,
3.372489407242361,
2.4677644261457843
],
[
2.12011942,
3.372489407242361,
-1.1892160938542151
],
[
0,
0,
0
],
[
2.12011942,
1.6844496624092817,
1.2156483107510545
],
[
2.12011... | [
[
4.24023884,
0,
2.596397461513143e-16
],
[
-4.130108357737712e-16,
6.744978814484722,
-2.3784321877084307
],
[
0,
0,
7.31396104
]
] | [
20,
20,
58,
47,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004821452> | P2/m | Ag-Ca-Ce-Se | 0.090029 | null | null | 0.004767 | 2,027.554698 | 44.318077 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.