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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
2.2315152864916667,
-4.807629954243178,
0.7623968656153856
],
[
-1.3215423467216196,
-1.0429742885224527,
-4.505368295175229
],
[
1.2547433824529026,
-4.065636198097046,
-2.567588872987612
],
[
-0.34477044268285545,
-1.7849680446685856,
-1.17538255657223... | [
[
3.6976242470964467,
0,
-1.0846098936650634
],
[
0.909972939770047,
-5.85060424276563,
3.102256420440156
],
[
-3.6976242470964467,
0,
-5.7606179563349365
]
] | [
37,
37,
48,
48,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003304350> | C2/m | Cd-O-Rb | 0.00834 | null | null | 0 | 3,023.918335 | 50.69241 |
[
[
1.5875465021188406,
1.7171805516571705,
5.6722267078604265
],
[
4.00058536714074,
-1.7171805516571697,
3.5288306698760845
],
[
5.369263812097631,
2.785480429048605,
8.419052401604766
],
[
2.7940659346297902,
1.2195215282388143e-33,
-0.7820049761317445
... | [
[
0.4377361143239003,
-5.57096085809721,
1.5640099522634894
],
[
5.588131869259581,
0,
-1.5640099522634894
],
[
-0.4377361143239003,
5.57096085809721,
9.201057377736511
]
] | [
37,
37,
37,
37,
48,
48,
8
] | [
1,
1,
1
] | alex<agm001079449> | I4/mmm | Cd-O-Rb | 0.085313 | null | null | 0.00224 | 4,035.567811 | 14.824762 |
[
[
1.4557661470106478,
1.5482632112240131,
5.869086362614806
],
[
2.6678809439332545,
-1.5482632112240127,
1.931975287691364
],
[
0,
0,
0
],
[
3.4289543895755012,
-0.7388323700500622,
5.000329177250239
],
[
0.6946927013684002,
0.7388323700500619... | [
[
0.2537018937294879,
-4.115835356251289,
1.0228279796938298
],
[
4.123647090943901,
0,
-1.0228279796938298
],
[
-0.2537018937294879,
4.115835356251289,
7.8010616503061705
]
] | [
67,
67,
67,
52,
52
] | [
1,
1,
1
] | alex<agm002190177> | I4/mmm | Ho-Te | 0.08556 | null | null | -0 | 3,712.487383 | 41.167923 |
[
[
-2.8428754313290487,
-1.8184041997594722,
-1.619173396831319
],
[
-5.695470574216969,
-3.6430254726007716,
-11.910138872146085
],
[
-3.899505668553054,
-1.0699676928873545,
-4.963768778549228
],
[
-3.395802385507023,
-4.800449988003655,
-5.71997893634745... | [
[
-2.522510707361058,
-5.461429672360244,
-2.4166622494887013
],
[
-6.0158352981849585,
0,
-2.4166622494887013
],
[
0,
0,
-8.69598777
]
] | [
37,
37,
48,
48,
48,
48,
48,
48,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003547807> | R-3 | Cd-O-Rb | 0.089597 | null | null | -0 | 2,071.831043 | 67.739204 |
[
[
8.43448822670086,
6.669956248082104,
11.148052967749218
],
[
5.422493725560079,
4.0324782557695205,
9.631686398707897
],
[
3.388616282925073,
3.1024780801315623,
4.039808384335194
],
[
0.37662178178429206,
0.46500008781897895,
2.523441815293874
],
[
... | [
[
6.193020994619584,
0,
2.635539880602317
],
[
2.6180890138655686,
7.134956335901083,
2.4419700724407742
],
[
0,
0,
8.59398483
]
] | [
37,
37,
37,
37,
48,
48,
48,
48,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003600636> | C2/c | Cd-O-Rb | 0.015507 | null | null | -0 | 3,118.320614 | 31.046736 |
[
[
3.3749316719558076,
1.8177053060306796,
8.317835219274233
],
[
6.820685788986163,
1.6698137139693205,
7.815458876300607
],
[
0.07082244507454777,
5.30522432603068,
0.31415759775214097
],
[
3.5165765621049037,
5.15733273396932,
-0.18821874522148574
],
... | [
[
6.891508234060711,
0,
-1.0047526859472533
],
[
-4.270979004808514e-16,
6.97503804,
4.270979004808514e-16
],
[
0,
0,
9.13436916
]
] | [
37,
37,
37,
37,
37,
37,
37,
37,
48,
48,
48,
48,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003397043> | P2_1/c | Cd-O-Rb | 0.020016 | null | null | 0 | 3,766.496356 | 33.015747 |
[
[
2.810478796802136,
-1.3356219356897439,
2.279066257616853
],
[
1.2367248965463238,
1.3356219356897436,
4.463257535223352
],
[
0,
0,
0
],
[
3.536917444426283,
-0.5510922513524135,
4.9007347764706655
],
[
0.5102862489221751,
0.551092251352413,
... | [
[
0.3107401429199256,
-4.035256906199593,
1.121440437159795
],
[
4.047203693348459,
0,
-1.121440437159795
],
[
-0.3107401429199256,
4.035256906199593,
6.742323792840205
]
] | [
37,
37,
48,
8,
8
] | [
1,
1,
1
] | alex<agm002170261> | I4/mmm | Cd-O-Rb | 0.012826 | null | null | 0 | 3,766.496356 | 27.471756 |
[
[
-2.0939771016953066,
3.715382269590196,
-2.7518278855000866
],
[
1.858261502522908,
-0.4100554917346623,
-2.1561628285584478
],
[
-1.8582615025229068,
0.4100554917346622,
-6.327931931441553
],
[
-1.4831035704156226,
-2.619152975540671,
-4.165664559204298... | [
[
-2.2273718134997673,
6.588096177921711,
-2.758161643955392
],
[
6.841730116207308,
0,
-3.02694253600701
],
[
-4.61435830270754,
-6.588096177921711,
-2.6989905800375977
]
] | [
37,
37,
37,
37,
37,
37,
48,
48,
8,
8
] | [
1,
1,
1
] | alex<agm003729775> | C2/m | Cd-O-Rb | 0.06373 | null | null | 0.000001 | 4,398.372408 | 13.602436 |
[
[
-0.8240884538212965,
-2.7892882026846526,
-4.089713135858091
],
[
-3.852598843479763,
-5.351591551272262,
-11.36246847963299
],
[
-7.79632695775986,
-6.0189495892142375,
-4.399984651120607
],
[
-4.122996862264644,
-3.1830515068072334,
-5.397546548557553
... | [
[
-2.0209220744291434,
-7.724156857026234,
-2.4541961496329874
],
[
-7.984154631697734,
0,
-2.4541961496329874
],
[
0,
0,
-8.90827233
]
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
48,
48,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003563053> | C2/m | Cd-O-Rb | 0.087846 | null | null | 0.000055 | 4,651.936663 | 17.889542 |
[
[
8.881784197001252e-16,
10.753198415140917,
-8.659181593984017e-17
],
[
-6.814785060394754e-16,
5.37659920757046,
-4.3295907969920084e-17
],
[
8.881784197001252e-16,
16.129797622711372,
1.0669271166552364e-15
],
[
0,
0,
0
],
[
2.6799756957802345,
... | [
[
2.534553172930192,
7.1687989434272765,
4.3899748700000005
],
[
2.534553172930192,
7.1687989434272765,
-4.389974869999999
],
[
-5.0691063458603836,
7.1687989434272765,
0
]
] | [
37,
37,
37,
57,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-1206660 | Fm-3m | Br-La-Rb | 0.081692 | 3.8366 | null | -0.000007 | 6,032.759415 | 6.859129 |
[
[
-0.39272806220882944,
2.6957825524143857,
4.8969018785398255
],
[
4.2539159928241155,
4.742070982544775,
-1.8921648473286135
],
[
1.8149164781895306,
0.04379638734843538,
-0.5110276136850056
],
[
2.0462714524257564,
7.3940571476107255,
3.5157646448962185... | [
[
7.168722426743237,
0,
-2.3245706108271205
],
[
-3.3075344961279507,
7.437853534959161,
-3.5734381179616674
],
[
0,
0,
8.90274576
]
] | [
37,
37,
57,
57,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003738614> | C2/c | Br-La-Rb | 0.066027 | null | null | 0.000023 | 5,788.283576 | 12.859344 |
[
[
1.0227458274999996,
7.257269996475951,
6.453159644339326
],
[
1.0227458274999994,
10.19619804352405,
0.531566929339326
],
[
3.0682374825,
4.378375363524049,
5.390025785660676
],
[
3.0682374825000003,
1.4394473164759503,
11.311618500660675
],
[
3.... | [
[
4.09098331,
0,
2.5050048079783725e-16
],
[
-7.124777923068876e-16,
11.63564536,
7.124777923068876e-16
],
[
0,
0,
11.84318543
]
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003287860> | Pnma | Ho-Te | 0 | null | null | 0.000196 | 3,712.487383 | 65.710884 |
[
[
2.894800243309823,
0,
0.004070387085939112
],
[
0.005287946860328883,
2.3823367170537746,
4.954209719212254
],
[
0.01220164291017213,
5.497109309353769,
0.03728939082532186
],
[
5.7857016377471995,
2.568010504642771,
-0.6998108421715005
],
[
5.78... | [
[
5.789600486619646,
0,
0.008140774171878223
],
[
0.017489589770501014,
7.879446026407544,
-3.723421699962425
],
[
0,
0,
8.71492081
]
] | [
37,
57,
57,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003534825> | Cmmm | Br-La-Rb | 0.019382 | null | null | -0.000024 | 5,770.233957 | 8.165873 |
[
[
0,
0,
0
],
[
2.941750415,
2.4027964164621767,
5.014155032850179
],
[
2.9417504149999996,
5.560042958605041,
-0.0332206394694865
],
[
-1.3961420364038292e-16,
2.2800729767568537,
5.210348550120334
],
[
-3.4796908399964606e-16,
5.68276639831036... | [
[
5.88350083,
0,
3.602605229620148e-16
],
[
-4.8758328764002895e-16,
7.962839375067218,
-3.874484226619307
],
[
0,
0,
8.85541862
]
] | [
37,
57,
57,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003507500> | Cmmm | Br-La-Rb | 0.032472 | null | null | 0.000012 | 5,672.388556 | 9.616266 |
[
[
4.977923332586221,
2.671577383246,
3.7818717347428703
],
[
2.0549093017661506,
5.272783616754,
1.1152412396477733
],
[
5.571325618942337,
6.643757883246,
-0.7211308131569054
],
[
3.257390058420354,
1.300603116754,
0.48727177972657953
],
[
1.46150... | [
[
7.032832634352372,
0,
-3.6727441056093575
],
[
-4.864518134960533e-16,
7.944361,
4.864518134960533e-16
],
[
0,
0,
8.56985708
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
32,
32,
32,
32,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1207728 | Cmce | Ge-Sb-Y | 0 | 0 | null | 0.00108 | 2,711.744548 | 60.261349 |
[
[
2.0655765,
2.0655765,
2.0655765000000006
],
[
2.0655765,
0,
1.2648008245594966e-16
],
[
-1.2648008245594966e-16,
2.0655765,
1.2648008245594966e-16
],
[
0,
0,
2.0655765
],
[
0,
0,
0
]
] | [
[
4.131153,
0,
2.529601649118993e-16
],
[
-2.529601649118993e-16,
4.131153,
2.529601649118993e-16
],
[
0,
0,
4.131153
]
] | [
71,
44,
44,
44,
6
] | [
1,
1,
1
] | mp-1207093 | Pm-3m | C-Lu-Ru | 0 | 0 | null | -0.000007 | 6,067.233123 | 234.949509 |
[
[
-0.5644080572316595,
-0.8104556284322206,
-2.201816974122162
],
[
-2.835237963120223,
0.8104556284322206,
-3.9936487319188663
],
[
-3.2079177809604587,
-2.1655323299005356,
-5.447513051018984
],
[
-1.6998230101759413,
0,
-6.631193918020514
],
[
-... | [
[
-3.399646020351883,
0,
0.8714564239589715
],
[
-0.38345647878284866,
4.331064659801071,
-1.4959053100440884
],
[
0.38345647878284866,
-4.331064659801071,
-5.571016819955911
]
] | [
71,
71,
71,
44,
6,
6,
6,
6
] | [
1,
1,
1
] | alex<agm002139732> | Immm | C-Lu-Ru | 0 | null | null | 0.000009 | 3,649.442341 | 179.11554 |
[
[
4.069809668525389,
4.267940856676,
5.037049504751465
],
[
1.8999290420173236,
1.232187856676,
2.1122609911523473
],
[
4.936621699034901,
4.278092414708,
1.0857973446131937
],
[
1.0331170115078112,
1.242339414708,
6.063513151290619
],
[
2.96115158... | [
[
5.969738710542712,
0,
-1.010737904096189
],
[
-3.717725194451975e-16,
6.071506,
3.717725194451975e-16
],
[
0,
0,
8.1600484
]
] | [
70,
70,
40,
40,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1207497 | P2_1 | F-Yb-Zr | 0 | 1.1181 | null | 0.00676 | 2,449.547439 | 45.926743 |
[
[
2.220446049250313e-16,
7.402255699751656,
8.881784197001252e-16
],
[
0,
0,
0
],
[
1.8197807539572932,
8.689035011147626,
6.487546066526506e-16
],
[
-1.8197807539572928,
6.115476388355686,
-2.0954110441801377e-16
],
[
-0.9098903769786468,
8.68... | [
[
1.7447284004570565,
4.934837133167771,
3.021958235000001
],
[
1.7447284004570565,
4.934837133167771,
-3.021958234999999
],
[
-3.4894568009141125,
4.934837133167771,
0
]
] | [
70,
40,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002149078> | Fm-3m | F-Yb-Zr | 0 | null | null | 0 | 2,497.239902 | 55.243504 |
[
[
1.8345334920192544,
1.2918207586517114,
3.8523113368100748
],
[
6.423263452671907,
5.370779844210145,
3.7755578602435236
],
[
5.7890784599273335,
2.0105865090048467,
0.7228457104306094
],
[
2.4687184847638277,
4.6520140938570105,
6.90502348662299
],
... | [
[
6.776233366445618,
0,
0.38618026465174893
],
[
1.4815635782455427,
6.662600602861857,
0.1555132824018496
],
[
0,
0,
7.08617565
]
] | [
11,
11,
39,
39,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1209960 | P-1 | Cl-Na-Y | 0.012363 | 4.6098 | null | null | 1,794.85384 | 18.769609 |
[
[
2.202731531329285,
5.230232045506278,
2.3021512389350987
],
[
2.3629764724745494,
1.124880924563219,
1.7134711183891937
],
[
4.217238286986313,
3.7058701813204737,
-1.8789909893436474
],
[
0.34846971681752165,
2.649242788749023,
5.89461334666794
],
[... | [
[
6.2193101108504605,
0,
-2.2165007478755836
],
[
-1.6536021070466258,
6.355112970069497,
-2.5632377948001244
],
[
0,
0,
8.7953609
]
] | [
11,
11,
39,
39,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003742523> | C2/c | Cl-Na-Y | 0.022297 | null | null | 0.000028 | 1,794.85384 | 14.080868 |
[
[
3.294437620092203,
4.209525873741278,
7.852066531888875
],
[
0.17764171737656773,
0.5412531937412783,
7.590397028916011
],
[
3.649721054845339,
3.1270194862587215,
2.3668082097208973
],
[
6.766516957560976,
6.795292166258721,
2.6284777126937606
],
[
... | [
[
6.944158674937543,
0,
-0.1141514483902287
],
[
-4.492338395961683e-16,
7.33654536,
4.492338395961683e-16
],
[
0,
0,
10.33302619
]
] | [
11,
11,
11,
11,
11,
11,
39,
39,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-31362 | P2_1/c | Cl-Na-Y | 0.002756 | 5.1827 | null | -0.000048 | 1,577.786453 | 16.261278 |
[
[
-0.5403506891463308,
0.935914847921257,
-4.317284721545958
],
[
-4.250491967371966,
-0.9359148479212583,
-3.0055516937575226
],
[
-6.339581177080522,
0,
-5.629017750460872
],
[
-1.855070639549997,
-3.213076598617597,
-4.100675204022933
],
[
-2.62... | [
[
-3.7101412790999935,
-6.426153197235193,
-2.6234660578298294
],
[
-3.710141276632552,
6.426153197235193,
-2.623466056085085
],
[
7.420282555732546,
0,
-2.623466056085085
]
] | [
67,
67,
67,
67,
67,
67,
67,
67,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003289842> | I-43d | Ho-Te | 0.062842 | null | null | -0 | 3,760.936149 | 67.270958 |
[
[
-6.81879170214216,
-4.700092544597933,
-9.874098309358232
],
[
-4.251948696088572,
-2.93080552089904,
-7.130077574954132
],
[
-1.6851056900349868,
-1.1615184972001469,
-4.386056840550031
],
[
0,
0,
0
],
[
-4.4319615668308225,
-1.2885534418779... | [
[
-2.2317876792743285,
-5.86161104179808,
-3.367985434954131
],
[
-6.272109712902817,
0,
-3.367985434954131
],
[
0,
0,
-7.52418428
]
] | [
11,
11,
11,
39,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-675104 | R-3 | Cl-Na-Y | 0 | 5.155 | null | null | 1,577.786453 | 18.130579 |
[
[
2.669248235140718,
4.931053441298113,
6.082915269920958
],
[
2.669248235140718,
4.931053441298113,
0.7656591100790422
],
[
5.7642915421955154e-11,
2.0199204954654744,
7.614233490079041
],
[
5.7642915421955154e-11,
2.0199204954654744,
12.931489649920959
... | [
[
5.33849647,
0,
3.268886307122472e-16
],
[
-2.6692482348016386,
6.950973936763588,
4.559278159463839e-16
],
[
0,
0,
13.69714876
]
] | [
11,
11,
11,
11,
39,
39,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003469526> | Cmcm | Cl-Na-Y | 0.016559 | null | null | 0.000124 | 1,665.999782 | 18.520502 |
[
[
0.9375188974999997,
3.28523796546186,
1.223667111326986
],
[
2.8125566925,
3.00924623453814,
5.951964378673015
],
[
0.9375188975,
0.13799586546186002,
2.364148633673014
],
[
2.8125566924999994,
6.156488334538141,
4.811482856326986
],
[
0.93751889... | [
[
3.75007559,
0,
2.296259033927061e-16
],
[
-3.8542599639067945e-16,
6.2944842,
3.8542599639067945e-16
],
[
0,
0,
7.17563149
]
] | [
73,
73,
73,
73,
27,
27,
27,
27,
33,
33,
33,
33
] | [
1,
1,
1
] | mp-1208576 | Pnma | As-Co-Ta | 0 | 0 | null | null | 4,216.469414 | 195.504074 |
[
[
0.9023889624999999,
1.2395288420893598,
0.03953310777569266
],
[
2.7071668875,
3.5221536022605053,
5.412367519434063
],
[
0.9023889624999998,
3.759326386074974,
2.8014542808484713
],
[
2.7071668875,
1.0023560582748905,
2.6504463463612837
],
[
0.9... | [
[
3.60955585,
0,
2.210215509023052e-16
],
[
-2.9156895820146036e-16,
4.761682444349865,
-1.7503261527902452
],
[
0,
0,
7.20222678
]
] | [
73,
73,
73,
73,
27,
27,
33,
33
] | [
1,
1,
1
] | alex<agm002205943> | P2_1/m | As-Co-Ta | 0.028676 | null | null | 0.00007 | 4,429.456815 | 200.327744 |
[
[
0.28437176379657914,
0,
0.8555177307876324
],
[
1.326765013635878,
1.83659089,
3.9915039162904447
],
[
2.152907909431882,
1.83659089,
1.159127269566345
],
[
2.6033467280209437,
0,
2.514249138183496
]
] | [
[
3.1834963409842874,
0,
-1.0581855128446545
],
[
-2.249175154781689e-16,
3.67318178,
2.249175154781689e-16
],
[
0,
0,
5.31778473
]
] | [
73,
73,
27,
33
] | [
1,
1,
1
] | alex<agm003169642> | Amm2 | As-Co-Ta | 0.091772 | null | null | 0.00267 | 4,429.456815 | 194.950195 |
[
[
-2.4742607381407146e-16,
4.040774433678986,
1.0764145465841042
],
[
-1.353505663909407e-16,
2.2104424963210136,
5.174802383415896
],
[
-6.591138145149362e-17,
1.076414546584104,
2.2104424963210136
],
[
-3.1686525875351854e-16,
5.174802383415896,
4.040774... | [
[
5.06497804,
0,
3.1014045722188173e-16
],
[
-3.8277664020501217e-16,
6.25121693,
3.8277664020501217e-16
],
[
0,
0,
6.25121693
]
] | [
73,
73,
73,
73,
73,
73,
73,
73,
27,
27,
33,
33
] | [
1,
1,
1
] | alex<agm003757004> | P4/mcc | As-Co-Ta | 0.029869 | null | null | 0 | 4,585.812652 | 196.606964 |
[
[
1.8343358680165747,
1.296926355868298,
3.838743560518334
],
[
6.364058081217784,
5.317031447378987,
3.7356848318618487
],
[
5.749518749175226,
1.9948098201832472,
0.7004618438286049
],
[
2.448875200059132,
4.619147983064039,
6.873966548551577
],
[
... | [
[
6.726006256334938,
0,
0.3609460080505764
],
[
1.4723876928994197,
6.613957803247286,
0.15040953432960538
],
[
0,
0,
7.06307285
]
] | [
11,
11,
67,
67,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1209968 | P-1 | Cl-Ho-Na | 0.015489 | 4.8172 | null | -0.000031 | 2,230.589319 | 16.539278 |
[
[
-0.10337852397202889,
2.046070809633696,
4.659213153631527
],
[
4.588191521390337,
4.314848141706852,
-0.6247881130181271
],
[
2.5701101285185617,
5.837944550101973,
3.5236082955719734
],
[
1.914702868899746,
0.5229744012385756,
0.5108167450414268
],
... | [
[
6.183903582614419,
0,
-2.166535881333458
],
[
-1.699090585196111,
6.360918951340548,
-2.5655334080531422
],
[
0,
0,
8.76649433
]
] | [
11,
11,
67,
67,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003742788> | C2/c | Cl-Ho-Na | 0.023544 | null | null | 0.000043 | 2,230.589319 | 11.701347 |
[
[
0.1773951669618048,
3.106426565487214,
7.53939124608265
],
[
0,
0,
5.139656085
],
[
6.739124261493742,
4.208476384512786,
2.618813238201343
],
[
3.6356548811895784,
0.551024909512786,
2.339181318224647
],
[
3.458259714227773,
3.657451475,
... | [
[
6.916519428455547,
0,
-0.121107685716007
],
[
-4.479086241895516e-16,
7.31490295,
4.479086241895516e-16
],
[
0,
0,
10.27931217
]
] | [
11,
11,
11,
11,
11,
11,
67,
67,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-29836 | P2_1/c | Cl-Ho-Na | 0.002224 | 5.2296 | null | null | 1,936.434193 | 15.706347 |
[
[
-7.848021892262437,
-5.678068213970602,
5.9769170525302036
],
[
-4.660033668106133,
-7.677476649501501,
1.6576603067982907
],
[
-5.3656278559648785,
-0.7226907629813999,
4.528181106135371
],
[
-2.1776396318085722,
-2.722099198512299,
0.20892436040345766
... | [
[
-4.0102646097076065,
0,
-0.9857511670970092
],
[
-2.0051323046557976,
-8.4001674124829,
-0.4928755828723208
],
[
-4.0102646097076065,
0,
7.664468162902992
]
] | [
67,
67,
67,
67,
67,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002190323> | I4/m | Ho-Te | 0.091179 | null | null | -0.000025 | 3,788.153177 | 36.927269 |
[
[
-6.792424054006267,
-4.687692830102904,
-9.869541070108427
],
[
-4.238310178666234,
-2.925008226564933,
-7.1176961297666
],
[
-1.6841963033262017,
-1.1623236230269633,
-4.365851189424772
],
[
0,
0,
0
],
[
-2.7730931371281526,
-3.6865466373863... | [
[
-2.2196582242769622,
-5.850016453129866,
-3.3723790147666004
],
[
-6.256962133055506,
0,
-3.3723790147666004
],
[
0,
0,
-7.49063423
]
] | [
11,
11,
11,
67,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002165451> | R-3 | Cl-Ho-Na | 0 | null | null | -0.000005 | 1,936.434193 | 18.420002 |
[
[
2.6414681372640993,
4.918517861209528,
6.0564959908993465
],
[
2.6414681372640993,
4.918517861209528,
0.7573702241006544
],
[
-2.6067291671955857e-8,
2.011543722642621,
7.571236439100654
],
[
-2.6067291671955857e-8,
2.011543722642621,
12.870362205899346
... | [
[
5.28293622,
0,
3.2348654659613085e-16
],
[
-2.6414681088031924,
6.930061583852149,
4.541240146938944e-16
],
[
0,
0,
13.62773243
]
] | [
11,
11,
11,
11,
67,
67,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003474471> | Cmcm | Cl-Ho-Na | 0.017109 | null | null | 0.000126 | 2,061.368076 | 17.241985 |
[
[
2.375660925,
3.6039418205882994,
4.087105629968832
],
[
0.7918869749999999,
1.730113635610679,
1.6206127544077131
],
[
2.375660925,
0.4220211864379694,
3.503225142836637
],
[
0.7918869749999997,
4.912034269761009,
2.2044932415399088
],
[
2.375660... | [
[
3.1675479,
0,
1.9395636984404603e-16
],
[
-3.266166970454277e-16,
5.334055456198978,
-1.1379391956234548
],
[
0,
0,
6.84565758
]
] | [
66,
66,
5,
5,
5,
5,
5,
5,
42,
42
] | [
1,
1,
1
] | mp-1206856 | P2_1/m | B-Dy-Mo | 0 | 0 | null | null | 3,702.983776 | 210.843292 |
[
[
2.117257819355346,
2.7094289287023154,
4.02252386295655
],
[
1.2720479921822632,
3.0616042940555426,
1.2595566891248993
],
[
2.9624676465284296,
2.3572535633490883,
6.785491036788201
],
[
3.5923798897491324,
5.158951227201104,
4.566812508968253
],
[
... | [
[
3.0161811436321484,
0,
0.8563338069585795
],
[
1.2183344950785442,
5.418857857404631,
1.4487465089545206
],
[
0,
0,
5.73996741
]
] | [
66,
5,
5,
5,
5,
5,
5,
42,
42
] | [
1,
1,
1
] | alex<agm003504130> | Immm | B-Dy-Mo | 0.084273 | null | null | -0.000002 | 3,936.700648 | 218.955734 |
[
[
0,
0,
0
],
[
1.4603009999999998,
1.2816699200157393,
2.2199174200000003
],
[
2.920602,
-1.2816699200157395,
2.21991742
]
] | [
[
2.920602,
0,
1.7883529454416792e-16
],
[
-2.3543894476660794e-16,
3.8450097600472186,
2.2199174200000007
],
[
2.3543894476660794e-16,
-3.8450097600472186,
2.219917419999999
]
] | [
3,
49,
78
] | [
1,
1,
1
] | mp-1206734 | P-6m2 | In-Li-Pt | 0.051425 | 0 | null | -0.000001 | 6,419.749213 | 81.898521 |
[
[
2.2953400034012956,
-1.0161904090643639,
1.3586938319732083
],
[
3.178441508394982,
-0.008080697287948576,
3.792819882564619
],
[
0.8972588449201333,
1.0242711063523124,
2.4731484616360944
]
] | [
[
0.41929094334728706,
-3.1578052364821736,
1.1557074719130396
],
[
3.1855201783582054,
0,
-1.1557074719130396
],
[
-0.41929094334728706,
3.1578052364821736,
3.8123310880869603
]
] | [
3,
49,
78
] | [
1,
1,
1
] | alex<agm003159637> | I4mm | In-Li-Pt | 0.055959 | null | null | 0.000015 | 6,419.749213 | 84.313316 |
[
[
1.1765951979555387,
-1.2831867346429544,
2.2225446199999994
],
[
0.0518372905734096,
-3.429038655507395e-51,
3.174118598859867e-18
],
[
1.6495686426910403,
1.2831867346429544,
2.2225446200000003
]
] | [
[
2.87800116,
0,
1.762267454268185e-16
],
[
-2.3571757909332573e-16,
3.8495602039288634,
2.2225446200000007
],
[
2.3571757909332573e-16,
-3.8495602039288634,
2.222544619999999
]
] | [
3,
49,
78
] | [
1,
1,
1
] | alex<agm003159638> | P3m1 | In-Li-Pt | 0.046259 | null | null | -0.000014 | 6,419.749213 | 88.146698 |
[
[
1.4611068850000002,
-4.618087013316754,
2.666253780279542
],
[
1.461106885,
-4.560534927956226e-16,
2.379654119440915
],
[
1.4611068849999997,
4.618087013316754,
2.6662537802795434
],
[
1.461106885,
-2.226309310990959,
3.85608084
],
[
1.461106885... | [
[
2.92221377,
0,
1.78933986992741e-16
],
[
-4.08966385742554e-16,
6.678927932972876,
3.8560808400000015
],
[
4.08966385742554e-16,
-6.678927932972876,
3.856080839999999
]
] | [
3,
3,
3,
49,
49,
49,
78,
78,
78
] | [
1,
1,
1
] | alex<agm001009113> | P-62m | In-Li-Pt | 0.054734 | null | null | 0 | 6,419.749213 | 90.497047 |
[
[
-0.7578793527001118,
-1.1532719733750094,
-2.413939868906987
],
[
-0.006972858500665375,
-0.010610662837662734,
-0.02220942037150742
],
[
-2.0606789047138907,
1.1638826718124733,
-1.6201333253616994
]
] | [
[
-2.825531139309283,
0,
0.8871023402789023
],
[
-0.48606966566179444,
3.5599800162597153,
-1.5481922590456219
],
[
0.48606966566179444,
-3.5599800162597153,
-3.3951927209543786
]
] | [
3,
49,
78
] | [
1,
1,
1
] | alex<agm003159636> | Imm2 | In-Li-Pt | 0.035399 | null | null | 0.000014 | 6,419.749213 | 81.346817 |
[
[
0.9657094988279328,
2.541241191610981,
5.4054637960134455
],
[
1.7590314663024724,
4.628848763456327,
3.498444075047061
],
[
4.4922270854965225,
2.5554455454991714,
4.65515267364837
],
[
3.702955226672828,
4.588540411963145,
6.552436426834881
],
[
... | [
[
5.480361254888598,
0,
2.2798353501012905
],
[
2.710942484758384,
7.133779587668443,
1.2102015212961748
],
[
0,
0,
7.7268757
]
] | [
3,
3,
3,
3,
3,
3,
3,
20,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003679963> | Imm2 | Ca-Li-Mg | 0.074233 | null | null | 0.000107 | 1,545.957943 | 30.431604 |
[
[
-1.6905525311035794,
-3.0875551503995817,
-2.5068040641779907
],
[
-3.533049140397585,
-2.0787189824080134,
-6.25150027917799
],
[
0.15194407819042624,
-4.09639131839115,
1.2378921508220093
],
[
-5.41084206088842,
-1.0505567569613428,
-2.5068040641779907... | [
[
3.9484303643500858,
-6.1751103007991635,
1.2378921508220093
],
[
-7.3295354265572445,
0,
1.2378921508220093
],
[
0,
0,
-7.48939243
]
] | [
67,
67,
67,
67,
67,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003292883> | C2/m | Ho-Te | 0 | null | null | 0.000004 | 3,966.579854 | 48.506939 |
[
[
-1.2195903549783537e-16,
1.9917422,
1.2195903549783537e-16
],
[
1.9917422,
0,
1.2195903549783537e-16
],
[
0,
0,
2.04291118
],
[
1.9917421999999998,
1.9917422,
2.0429111800000004
]
] | [
[
3.9834844,
0,
2.4391807099567073e-16
],
[
-2.4391807099567073e-16,
3.9834844,
2.4391807099567073e-16
],
[
0,
0,
4.08582236
]
] | [
3,
3,
49,
78
] | [
1,
1,
1
] | alex<agm003181201> | P4/mmm | In-Li-Pt | 0.077107 | null | null | -0 | 6,372.164159 | 65.671791 |
[
[
-2.220446049250313e-16,
2.6884483857922046,
7.094566967236204e-16
],
[
2.220446049250313e-16,
8.065345157376617,
1.3755905114987143e-15
],
[
0,
0,
0
],
[
2.220446049250313e-16,
5.376896771584411,
1.6192965573980089e-15
]
] | [
[
1.2673467229757975,
3.5845978477229408,
2.1951089150000005
],
[
1.2673467229757975,
3.5845978477229408,
-2.1951089149999996
],
[
-2.5346934459515946,
3.5845978477229408,
0
]
] | [
3,
3,
49,
78
] | [
1,
1,
1
] | alex<agm002156367> | Fm-3m | In-Li-Pt | 0.072695 | null | null | -0.000032 | 6,372.164159 | 71.368889 |
[
[
1.0963635909291707,
-0.892619494394546,
2.43488992
],
[
2.5498404636843324,
0.8926194943945465,
0.7931050758665494
],
[
0,
0,
0
],
[
1.4534768727551621,
1.7852389887890925,
3.227994995866549
]
] | [
[
0.7392503091031793,
-3.570477977578185,
1.6417848441334504
],
[
3.6462040546135035,
0,
-1.6417848441334504
],
[
-0.7392503091031793,
3.570477977578185,
3.227994995866549
]
] | [
3,
3,
49,
78
] | [
1,
1,
1
] | alex<agm003181212> | I4/mmm | In-Li-Pt | 0.070967 | null | null | -0.000001 | 6,372.164159 | 70.461464 |
[
[
-2.940123134659732,
-1.928585861338012,
-4.491084139723311
],
[
-5.404033430684871,
-3.544797952764307,
-4.532621427500666
],
[
-4.2077177196228615,
-2.7600697422848706,
-7.185626240290327
],
[
-1.8728292009584622,
-1.2284900163160926,
-1.352345916418433... | [
[
-1.6436207544549466,
-3.7847779286719994,
-1.8606491872685722
],
[
-4.126261401539868,
0,
-1.8606491872685722
],
[
0,
0,
-5.50561834
]
] | [
3,
49,
49,
78
] | [
1,
1,
1
] | alex<agm005105771> | R3m | In-Li-Pt | 0.081759 | null | null | -0.000031 | 5,244.135097 | 62.964203 |
[
[
2.267576174638587,
-1.8016367264887878,
1.5794971477613322e-16
],
[
0,
0,
0
],
[
1.1337880873192938,
-0.900818363244394,
2.3847117300000003
],
[
2.5652261710919695,
0.9008183632443939,
0.6260512397080904
]
] | [
[
0.8361380908659114,
-3.6032734529775756,
1.7586604902919094
],
[
3.6990142584112635,
0,
-1.7586604902919094
],
[
-0.8361380908659114,
3.6032734529775756,
3.0107629697080904
]
] | [
3,
49,
78,
78
] | [
1,
1,
1
] | alex<agm002218916> | I4/mmm | In-Li-Pt | 0 | null | null | -0.000003 | 7,441.133208 | 134.673889 |
[
[
1.87795644,
0,
1.1499166715920791e-16
],
[
1.8779564399999997,
2.06626982,
2.0662698200000005
],
[
-1.265225360618889e-16,
2.06626982,
1.265225360618889e-16
],
[
0,
0,
2.06626982
]
] | [
[
3.75591288,
0,
2.2998333431841583e-16
],
[
-2.530450721237778e-16,
4.13253964,
2.530450721237778e-16
],
[
0,
0,
4.13253964
]
] | [
3,
49,
78,
78
] | [
1,
1,
1
] | alex<agm003189711> | P4/mmm | In-Li-Pt | 0.013419 | null | null | 0.000003 | 7,441.133208 | 130.726257 |
[
[
2.558242972279361,
0.8940714923342752,
0.8835374324084637
],
[
2.1713367330197153,
-1.78814298466855,
1.4066329599481702e-17
],
[
0,
0,
0
],
[
1.0856683665098577,
-0.894071492334275,
2.4792276400000004
]
] | [
[
0.6987621272502113,
-3.5762859693371,
1.5956902075915365
],
[
3.643911338789219,
0,
-1.5956902075915365
],
[
-0.6987621272502113,
3.5762859693371,
3.3627650724084637
]
] | [
3,
49,
78,
78
] | [
1,
1,
1
] | alex<agm003187801> | I-4m2 | In-Li-Pt | 0.097293 | null | null | 0.00003 | 7,441.133208 | 130.176758 |
[
[
0.36049112004796263,
4.755731787310389,
2.5690980266841956
],
[
4.941996065284444,
1.3559062596720843,
-0.12109762010072024
],
[
0.8846228822602255,
2.2460030857612954,
-1.1328207033663773
],
[
3.832320588408527,
5.703336988348389,
0.2611600663092497
]... | [
[
7.2498275005107775,
0,
-1.2787724016137172
],
[
-1.9473403151783713,
6.111638046982474,
-3.656705111802807
],
[
0,
0,
7.38347792
]
] | [
67,
67,
67,
67,
67,
67,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003292882> | C2/m | Ho-Te | 0.078657 | null | null | 0.000472 | 3,805.586604 | 53.3568 |
[
[
0.9093250700675467,
2.2926543153707755,
2.98675874369058
],
[
3.141248130043558,
3.9831540254032167,
2.8352629561316345
],
[
2.359549874285449,
0.6021546053383341,
4.690072978688801
],
[
2.0730050930964796,
3.246617183933618,
5.369985197503321
],
[
... | [
[
3.6821478641939134,
0,
1.551818447439276
],
[
1.8186501401350934,
4.585308630741551,
0.8291162873811598
],
[
0,
0,
5.1444012
]
] | [
3,
49,
49,
78,
78
] | [
1,
1,
1
] | alex<agm003394103> | C2/m | In-Li-Pt | 0.071387 | null | null | 0.000001 | 6,444.332224 | 105.703773 |
[
[
0,
0,
0
],
[
-2.458619770467316e-16,
4.015230795,
4.015230795
],
[
-4.20951079325262e-16,
6.874652832446785,
2.8594220374467847
],
[
-3.1663485181493287e-16,
5.171039552553215,
6.874652832446785
],
[
-7.077287476820122e-17,
1.1558087575532154... | [
[
2.97893593,
0,
1.824072175769772e-16
],
[
-4.917239540934632e-16,
8.03046159,
4.917239540934632e-16
],
[
0,
0,
8.03046159
]
] | [
3,
3,
49,
49,
49,
49,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002990764> | P4/mbm | In-Li-Pt | 0.094123 | null | null | -0.000141 | 6,444.332224 | 95.726891 |
[
[
0,
0,
0
],
[
-2.246931310992036e-16,
3.669517305,
3.6695173050000003
],
[
1.7602665899999999,
4.849208993403389,
1.1796916884033892
],
[
1.7602665899999996,
6.159342921596611,
4.849208993403389
],
[
1.7602665899999999,
2.489825616596611,
... | [
[
3.52053318,
0,
2.1557048450895263e-16
],
[
-4.493862621984072e-16,
7.33903461,
4.493862621984072e-16
],
[
0,
0,
7.33903461
]
] | [
3,
3,
49,
49,
49,
49,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002990763> | P4/mbm | In-Li-Pt | 0.053519 | null | null | -0.000158 | 6,444.332224 | 104.002632 |
[
[
3.890395511898921,
1.1956086764223677,
2.5280061255837363
],
[
1.9401829271440245,
2.6641675254032315,
6.787226161625288
],
[
3.1324045007616994,
3.451808973448095,
4.183441311209127
],
[
2.6981739382812457,
0.4079672283775046,
5.131790975999897
],
[... | [
[
4.173026578102881,
0,
1.9107463588543963
],
[
1.6575518609400643,
3.8597762018255994,
1.8922151883546279
],
[
0,
0,
5.51227074
]
] | [
3,
3,
49,
49,
78
] | [
1,
1,
1
] | alex<agm003406689> | R-3m | In-Li-Pt | 0 | null | null | -0.000115 | 5,227.611365 | 65.406281 |
[
[
2.018218039387887,
0.9234690036973483,
6.649997156348718
],
[
0.8269107656269487,
2.0596644486398055,
1.5435736513487175
],
[
2.2574392211306713,
3.5595815288828927,
5.530079295926811
],
[
3.4487464948916093,
2.4233860839404353,
10.636502800926811
],
... | [
[
4.488080398946474,
0,
0.9836147211377639
],
[
-0.21242313842791605,
4.483050532580241,
0.9836147211377639
],
[
0,
0,
10.21284701
]
] | [
3,
3,
3,
3,
49,
49,
49,
49,
78,
78
] | [
1,
1,
1
] | alex<agm002218334> | C2/c | In-Li-Pt | 0.088769 | null | null | -0.000001 | 5,227.611365 | 39.5672 |
[
[
0,
0,
3.1280833796844316
],
[
0,
0,
6.377601525868613
],
[
0,
0,
9.759394304131387
],
[
0,
0,
13.008912450315568
],
[
1.726212545,
1.726212545,
1.5431475076415322
],
[
1.726212545,
1.726212545,
4.7554037167546594
],
[
... | [
[
3.45242509,
0,
2.1140006678822565e-16
],
[
-2.1140006678822565e-16,
3.45242509,
2.1140006678822565e-16
],
[
0,
0,
16.13699583
]
] | [
3,
3,
3,
3,
49,
49,
49,
49,
49,
78
] | [
1,
1,
1
] | alex<agm003639075> | P4/mmm | In-Li-Pt | 0.044621 | null | null | -0 | 3,814.667138 | 44.817379 |
[
[
3.8239498918766515,
-2.9161780734233282,
7.094671719118906e-17
],
[
0,
0,
0
],
[
2.0661198616150687,
4.0980746016827165,
1.601607737859872
],
[
-0.6776043908971037,
3.0767045778896933,
3.701750299938065
],
[
3.92525133198021,
1.18189652825938... | [
[
1.6000466514130318,
-5.8323561468466565,
3.110763114195432
],
[
6.047853132340271,
0,
-3.110763114195432
],
[
-1.6000466514130318,
5.8323561468466565,
4.323646535804568
]
] | [
3,
3,
49,
49,
49,
49,
49,
49,
49,
49,
78,
78
] | [
1,
1,
1
] | alex<agm002218900> | I4/mcm | In-Li-Pt | 0.00534 | null | null | 0 | 4,117.606159 | 55.507038 |
[
[
-2.988285666395598e-16,
4.880240847362944,
3.451359516978147
],
[
-1.3708355803036374e-16,
2.238744397581517,
0.8429617791144687
],
[
-1.4044251496005873e-16,
2.293600327177441,
3.429116216128314
],
[
2.009036555,
3.5513398347055944,
4.929748474818759
... | [
[
4.01807311,
0,
2.4603601864507753e-16
],
[
-3.5216944292716356e-16,
5.751363465324984,
-0.07252347670566778
],
[
0,
0,
5.7518207
]
] | [
3,
3,
3,
3,
3,
3,
49,
78
] | [
1,
1,
1
] | alex<agm003771492> | Amm2 | In-Li-Pt | 0.039521 | null | null | 0 | 6,200.614425 | 31.981665 |
[
[
-1.2344604338768097,
-0.002150938482346164,
-4.894612841197818
],
[
-1.5030909569515503,
0.002150938482346608,
-2.5589598189181437
],
[
-1.6077111217896805,
4.2757805646518605,
-5.019996358273074
],
[
-1.4241718099951461,
2.262876155989526,
-1.2449251779... | [
[
-2.73755139082836,
0,
0.1163749798840392
],
[
-0.16020882800111808,
6.544371200129627,
-3.7686786313901894
],
[
0.16020882800111808,
-6.544371200129627,
-3.80126900860981
]
] | [
3,
3,
3,
3,
3,
3,
49,
78,
78
] | [
1,
1,
1
] | alex<agm003484372> | C2/m | In-Li-Pt | 0.058656 | null | null | -0.000216 | 7,235.357608 | 51.798813 |
[
[
-6.010014396597832,
-1.0714778969006429,
-8.52493440613038
],
[
-6.757084557016183,
-4.067097054553941,
-8.387724505002005
],
[
-4.589214145858799,
-0.7758889933776218,
-5.796449920080321
],
[
-3.5891513506024264,
-2.536692724215891,
-8.689251574176044
... | [
[
-2.1540023026772035,
-6.083658456088607,
-3.721280581307388
],
[
-6.453729629468305,
0,
-3.721280581307388
],
[
0,
0,
-7.45691625
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
49,
49,
49,
49,
49,
49,
78
] | [
1,
1,
1
] | alex<agm003696549> | R-3 | In-Li-Pt | 0.0892 | null | null | -0.000137 | 3,604.285167 | 34.570648 |
[
[
6.973068372268145,
-2.8002151979638907,
4.850114995
],
[
3.3995852672681433,
2.800215197963891,
4.850114995000002
],
[
0.33148293949837576,
-6.3489964956137275,
4.850115043501148
],
[
0.3314829394983754,
-1.0258245911422006,
1.7767803115118603
],
[
... | [
[
7.14696621,
0,
4.3762546463453953e-16
],
[
-5.143911868665376e-16,
8.400645593891673,
4.850114995000002
],
[
5.143911868665376e-16,
-8.400645593891673,
4.850114994999998
]
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003291366> | P6_3mc | Ho-Te | 0.032185 | null | null | 0.000941 | 3,548.210833 | 53.705288 |
[
[
1.5542569374999997,
2.0223829518700214,
3.5028700250000004
],
[
4.6627708125,
-2.022382951870021,
3.5028700249999996
],
[
0,
0,
0
],
[
3.108513875,
-2.302541003261755e-48,
1.9034157835619431e-16
],
[
4.6627708125,
4.127445994993699,
3.502... | [
[
6.21702775,
0,
3.8068315671238853e-16
],
[
-3.715057212986696e-16,
6.067148855610064,
3.5028700250000013
],
[
3.715057212986696e-16,
-6.067148855610064,
3.5028700249999987
]
] | [
81,
81,
23,
23,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1206817 | P6_3/mmc | Cl-Tl-V | 0.002124 | 0.2734 | null | 0.022726 | 4,593.047988 | 13.476227 |
[
[
2.50065758,
2.50065758,
2.5006575800000004
],
[
0,
0,
0
],
[
-1.5312111505552832e-16,
2.50065758,
1.5312111505552832e-16
],
[
0,
0,
2.50065758
],
[
2.50065758,
0,
1.5312111505552832e-16
]
] | [
[
5.00131516,
0,
3.0624223011105664e-16
],
[
-3.0624223011105664e-16,
5.00131516,
3.0624223011105664e-16
],
[
0,
0,
5.00131516
]
] | [
81,
23,
17,
17,
17
] | [
1,
1,
1
] | alex<agm001103462> | Pm-3m | Cl-Tl-V | 0.056263 | null | null | 0.02398 | 4,593.047988 | 37.572109 |
[
[
0.22307821960886237,
6.834125258395603,
7.0476798983750975
],
[
4.099313959608861,
8.606733239933524,
4.722203186440053
],
[
0.38114746942446687,
5.752177103606793,
2.469147611456681
],
[
4.257383209424467,
3.905173624163983,
4.892223453967982
],
[
... | [
[
7.75247148,
0,
4.747019691731572e-16
],
[
-5.913421828503922e-16,
9.657350727770776,
-2.654032704575338
],
[
0,
0,
10.01540377
]
] | [
81,
81,
81,
81,
81,
81,
23,
23,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003572925> | Cmc2_1 | Cl-Tl-V | 0.017769 | null | null | 0.005336 | 5,106.870946 | 9.915456 |
[
[
0,
0,
0
],
[
3.7209148881108964e-8,
2.5836751972810426,
4.6891132335657515
],
[
3.7712692965408863,
3.8298649052572546,
1.3565932356290988
],
[
-2.0482793701353605,
4.7785897489872635,
0.39114555360967784
],
[
1.722989965477318,
1.63495035355... | [
[
7.54253867,
0,
4.618472919830317e-16
],
[
-3.7712693362499645,
6.413540102538297,
-1.9035420108051497
],
[
0,
0,
7.94924848
]
] | [
81,
23,
23,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003525380> | C2/m | Cl-Tl-V | 0.017924 | null | null | 0.007803 | 3,560.542782 | 3.215029 |
[
[
3.2222428070569102,
-1.6958479558276,
2.117607143919593
],
[
1.5537008210716234,
1.6958479558276012,
5.2578716582388445
],
[
0,
0,
0
],
[
4.101247345928748,
-0.7364238310589409,
5.092242241251807
],
[
0.6746962821997861,
0.7364238310589424,
... | [
[
0.4170364413202868,
-4.757700930667296,
1.4112910878415625
],
[
4.775943628128534,
0,
-1.4112910878415625
],
[
-0.4170364413202868,
4.757700930667296,
7.375478802158438
]
] | [
81,
81,
23,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm001078208> | I4/mmm | Cl-Tl-V | 0.020281 | null | null | 0.015026 | 5,058.687149 | 26.571733 |
[
[
-8.220904201729226,
-2.8511914244836083,
-1.2536355212149584
],
[
-2.740301400967224,
0,
-1.5016125638856874
],
[
-11.177477504802573,
-5.436103295999102,
-1.71209461343142
],
[
-4.717756409882036,
-0.2662795529681146,
-0.49566809055349664
],
[
-... | [
[
-5.480602801934448,
0,
-3.0032251277713753
],
[
-2.7403013986223295,
-5.702382848967217,
-1.5016125630014776
],
[
-5.480602801934448,
0,
3.4991792122286247
]
] | [
81,
23,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003747243> | I-4 | Cl-Tl-V | 0.04495 | null | null | 0.009842 | 4,316.926938 | 4.731376 |
[
[
-4.058107684359594,
-2.7746853881655644,
-6.741370889616746
],
[
0,
0,
0
],
[
-6.276627212057105,
-2.167796100211179,
-9.750281240431349
],
[
-4.297601755590345,
-5.062213768853832,
-9.750281240431349
],
[
-0.712490001196229,
-0.4871570074772... | [
[
-2.1609478251050356,
-5.549370776331129,
-3.118840589616746
],
[
-5.955267543614152,
0,
-3.118840589616746
],
[
0,
0,
-7.2450606
]
] | [
81,
23,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003770663> | R-3m | Cl-Tl-V | 0.079599 | null | null | 0 | 3,890.177458 | 4.991447 |
[
[
6.639320160331562,
7.864303552781524,
4.794055939036163
],
[
1.9338909492573504,
1.3665716229276048,
9.098875451009995
],
[
4.530088876814884,
3.3894984405376394,
3.4075147836657407
],
[
7.7407412415748995,
7.8097669883909235,
9.811937079557786
],
[
... | [
[
6.519276820201428,
0,
1.8093028242216567
],
[
2.0539342893874837,
9.230875175709128,
2.3414480358245
],
[
0,
0,
9.74218053
]
] | [
81,
81,
23,
23,
23,
23,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003500640> | C2/c | Cl-Tl-V | 0.068338 | null | null | 0.016981 | 3,842.063527 | 10.452848 |
[
[
-0.7288864582786497,
5.437473038654599,
1.2144627742265566
],
[
-0.3092867773526101,
2.307270897910227,
5.114015158185504
],
[
2.9537176763402364,
6.013075419189911,
4.508918158759823
],
[
2.5808764196331793,
1.7316685173749158,
1.112316786870643
],
... | [
[
6.572767331604676,
0,
-0.7072429867815958
],
[
-1.0381732356312598,
7.744743936564826,
-1.6598959175879393
],
[
0,
0,
7.98837385
]
] | [
81,
81,
23,
23,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003319234> | C2/m | Cl-Tl-V | 0.085962 | null | null | 0.012242 | 4,448.537111 | 9.619618 |
[
[
2.2878204381896228,
1.3406503793125932,
-3.602703463965431
],
[
-2.1416185749301375,
-1.554040164795488,
-3.6018078866315846
],
[
0.0880577874679311,
-0.13608759113555471,
-0.14014067144735184
],
[
-0.9255220165626956,
1.4201655315175539,
-1.597719528982... | [
[
-3.7685752688236684,
5.787023686247334,
-1.0458074032341436
],
[
6.3220588272114595,
0,
-2.969358181815403
],
[
-2.553483558387791,
-5.787023686247334,
-2.974767324950454
]
] | [
81,
81,
23,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003471610> | I4mm | Cl-Tl-V | 0.03138 | null | null | 0.007821 | 4,860.615778 | 9.725431 |
[
[
0.9606428999999999,
1.6607984353461942,
3.555594985988046
],
[
0.9606429,
0.6008719951247632,
7.1126795746276725
],
[
0.9606428999999996,
4.696268210167011,
7.255044665975165
],
[
2.8819286999999996,
5.678963037853306,
4.387768057440147
],
[
2.88... | [
[
3.8425716,
0,
2.3528965052172616e-16
],
[
-4.494307697329414e-16,
7.3397614731995,
-0.550855906571808
],
[
0,
0,
8.49421895
]
] | [
67,
67,
67,
67,
67,
67,
52,
52
] | [
1,
1,
1
] | alex<agm003296552> | P2_1/m | Ho-Te | 0.0754 | null | null | 0.000103 | 3,469.028496 | 48.907612 |
[
[
4.887347893358101,
4.021624068326167,
6.993143205417063
],
[
1.2054152353817502,
2.000505039752025,
3.462445255418438
],
[
0,
0,
0
],
[
1.3681129364184978,
5.065932136126527,
5.105608117870569
],
[
1.3844912506987435,
5.064602148913009,
8... | [
[
6.04655402397203,
0,
0.07993285887249524
],
[
0.046209104767822085,
6.022129108078192,
3.4400744219630055
],
[
0,
0,
6.93558118
]
] | [
81,
81,
23,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003486731> | P-3m1 | Cl-Tl-V | 0.00009 | null | null | 0.003957 | 4,683.43064 | 13.069345 |
[
[
1.4095700000000002,
-5.1022208901662225,
2.9457686044023994
],
[
4.2287099999999995,
-2.090002611917518,
1.2066635705975999
],
[
1.4095699999999998,
5.102220890166222,
2.945768604402402
],
[
4.2287099999999995,
2.0900026119175186,
1.206663570597601
],
... | [
[
5.63828,
0,
3.452450777348269e-16
],
[
-4.40396674528961e-16,
7.192223502083741,
4.152432175000002
],
[
4.40396674528961e-16,
-7.192223502083741,
4.152432174999999
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
47,
47,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-1208279 | P6_3/mcm | Ag-Sn-Ti | 0.016963 | 0 | null | 0.000063 | 1,569.326572 | 103.140823 |
[
[
-1.2735814318911711e-16,
2.07991632,
1.2735814318911711e-16
],
[
2.07991632,
0,
1.2735814318911711e-16
],
[
2.07991632,
2.07991632,
2.1076416800000004
],
[
0,
0,
2.10764168
]
] | [
[
4.15983264,
0,
2.5471628637823422e-16
],
[
-2.5471628637823422e-16,
4.15983264,
2.5471628637823422e-16
],
[
0,
0,
4.21528336
]
] | [
22,
22,
47,
50
] | [
1,
1,
1
] | alex<agm001228030> | P4/mmm | Ag-Sn-Ti | 0.092285 | null | null | 0.005903 | 1,533.066015 | 98.196922 |
[
[
0,
0,
0
],
[
2.608506132620345,
-1.2987079115412865,
2.0312847238913205
],
[
1.2040579495857922,
1.298707911541286,
4.38119535565862
],
[
2.787433970895232,
0.9504185266868799,
2.6823478545499397
],
[
1.0251301113109057,
-0.9504185266868801,
... | [
[
0.2879563630374853,
-3.80167410674752,
1.04778437045006
],
[
3.8125640822061375,
0,
-1.04778437045006
],
[
-0.2879563630374853,
3.80167410674752,
6.41248007954994
]
] | [
37,
15,
15,
45,
45
] | [
1,
1,
1
] | mp-1207113 | I4/mmm | P-Rb-Rh | 0 | 0 | null | null | 7,007.482184 | 69.1129 |
[
[
-1.2168760171965537e-16,
1.98730935,
3.267884690806029
],
[
1.98730935,
0,
7.80617723919397
],
[
-1.2168760171965537e-16,
1.98730935,
9.79302385889024
],
[
1.98730935,
0,
1.2810380711097595
],
[
0,
0,
0
],
[
1.9873093499999999,
... | [
[
3.9746187,
0,
2.4337520343931073e-16
],
[
-2.4337520343931073e-16,
3.9746187,
2.4337520343931073e-16
],
[
0,
0,
11.07406193
]
] | [
37,
37,
15,
15,
45,
45
] | [
1,
1,
1
] | alex<agm002305732> | P4/nmm | P-Rb-Rh | 0.003655 | null | null | 0.000001 | 6,811.201265 | 65.747147 |
[
[
2.92589783163,
1.5800894370872693,
4.470137589030555
],
[
2.4674721683699996,
4.740268311261808,
-0.09310763290833379
],
[
-9.675257357477337e-17,
1.5800894370872693,
1.0942574890305554
],
[
-2.9025772072432013e-16,
4.740268311261808,
3.282772467091666
... | [
[
5.39337,
0,
3.30248665355868e-16
],
[
-3.870102942990935e-16,
6.320357748349077,
-2.3747302438777784
],
[
0,
0,
6.7517602
]
] | [
38,
38,
40,
40,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1208602 | Cmme | F-Sr-Zr | 0.01323 | 6.1738 | null | 0.000002 | 2,291.493024 | 67.124863 |
[
[
0,
7.765970352007237,
-1.2994540110611287e-16
],
[
0,
0,
0
],
[
1.9903006710524958,
9.17332545310859,
6.345860640583397e-16
],
[
-1.9903006710524942,
6.358615250905884,
7.897807693107666e-16
],
[
-0.9951503355262473,
9.173325453108593,
1.... | [
[
1.830456766132666,
5.177313568004825,
3.170444120000001
],
[
1.830456766132666,
5.177313568004825,
-3.170444119999999
],
[
-3.6609135322653317,
5.177313568004825,
0
]
] | [
38,
40,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002149010> | Fm-3m | F-Sr-Zr | 0 | null | null | 0 | 2,291.493024 | 30.861799 |
[
[
-2.6868581555695306,
-2.4852508126233235,
-4.1822667416191415
],
[
0,
0,
0
],
[
-1.7285630576145579,
-4.290717879467048,
-5.5630838132800715
],
[
-4.41225222420854,
-1.3893237474738498,
-5.5630838132800715
],
[
-0.9614640869305212,
-3.5811778... | [
[
-0.38808715835785657,
-4.970501625246647,
-1.4207975516191416
],
[
-4.985629152781205,
0,
-1.4207975516191416
],
[
0,
0,
-5.52293838
]
] | [
38,
40,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003764404> | C2/m | F-Sr-Zr | 0.054205 | null | null | 0.000003 | 2,291.493024 | 25.378624 |
[
[
0.7531608647119202,
-1.6568578931819666,
-5.144927869801719
],
[
-0.4173789439511738,
-3.3692425863708833,
-1.7176452096424895
],
[
-1.8916562445965648,
0,
-7.784758138155991
],
[
-1.3480463530345725,
-3.1407084613988694,
-5.547633111250298
],
[
... | [
[
3.783312489193129,
0,
-0.9193255036880199
],
[
0.33578192076074664,
-5.026100479552849,
1.381847810555793
],
[
-3.783312489193129,
0,
-7.325095386311981
]
] | [
38,
38,
40,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003527846> | C2/m | F-Sr-Zr | 0.074477 | null | null | 0.00005 | 2,367.977862 | 62.075787 |
[
[
5.75972872510152,
2.02624425,
2.4543710073786085
],
[
1.6124126437770039,
6.07873275,
4.832703080763447
],
[
5.431683178469164,
2.02624425,
7.269893528708783
],
[
1.9404581904093603,
6.07873275,
0.01718055943327103
],
[
1.6268251801531617,
2.... | [
[
7.372141368878525,
0,
-2.4529708318579466
],
[
-4.962867070106458e-16,
8.104977,
4.962867070106458e-16
],
[
0,
0,
9.74004492
]
] | [
81,
81,
81,
81,
27,
27,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-1208175 | P2_1/m | Co-I-Tl | 0.026799 | 0.7544 | null | 0.010311 | 5,385.597416 | 7.787457 |
[
[
3.902940659545727,
1.3666849200353608,
1.1909239122892377
],
[
1.682061520192169,
-1.3666849200353615,
3.71778356
],
[
0,
0,
0
],
[
1.141072777492042,
1.4043870555830114,
2.522060912747997
],
[
-0.5716219505153898,
2.7333698400707216,
6.1... | [
[
1.1432439010307796,
-5.466739680141443,
2.5268596477107628
],
[
5.585002179737896,
0,
-2.5268596477107628
],
[
-1.1432439010307796,
5.466739680141443,
4.908707472289237
]
] | [
67,
67,
67,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003289500> | I4/mmm | Ho-Te | 0.03917 | null | null | -0.000151 | 4,013.975589 | 43.366245 |
[
[
0.30487567686315087,
3.6885407951046623,
8.53640391101433
],
[
0,
0,
5.750600495
],
[
7.473936273487053,
5.037662424895338,
2.4708682399910127
],
[
4.194281652038254,
0.6745608148953379,
2.5388389965170015
],
[
3.8894059751751016,
4.36310161,... | [
[
7.778811950350204,
0,
-0.4939288389946567
],
[
-5.343258421041164e-16,
8.72620322,
5.343258421041164e-16
],
[
0,
0,
11.50120099
]
] | [
81,
81,
81,
81,
81,
81,
27,
27,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003580656> | P2_1/c | Co-I-Tl | 0.071754 | null | null | 0 | 5,440.801372 | 8.364865 |
[
[
-9.94032673118204e-17,
1.6233785509590002,
6.263963050959001
],
[
-4.689044280979617e-16,
7.657790449041,
3.0172059490410006
],
[
-1.8475058039307064e-16,
3.017205949041,
1.6233785509590004
],
[
-3.835571150167114e-16,
6.263963050959,
7.657790449041
],... | [
[
3.170396,
0,
1.9413076567147862e-16
],
[
-5.683076954097821e-16,
9.281169,
5.683076954097821e-16
],
[
0,
0,
9.281169
]
] | [
21,
21,
21,
21,
32,
32,
5,
5,
5,
5,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | mp-1208986 | P4/mbm | B-Ge-Ir-Sc | 0 | 0 | null | 0.00001 | 8,148.146526 | 220.547684 |
[
[
5.76975842396546,
2.7398839731480003,
2.0942810600921464
],
[
0.05072551755030974,
3.1790320268520005,
6.199675618810841
],
[
2.9609674883081945,
5.699341973148,
2.0662242382623326
],
[
2.859516453207575,
0.219574026852,
6.227732440640653
],
[
0,... | [
[
5.82048394151577,
0,
0.013526958902985392
],
[
-3.624290766911028e-16,
5.918916,
3.624290766911028e-16
],
[
0,
0,
8.28042972
]
] | [
38,
38,
38,
38,
68,
68,
73,
73,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1208927 | P2_1/c | Er-O-Sr-Ta | 0 | 3.8744 | null | 0.000001 | 3,165.376052 | 129.513336 |
[
[
3.3903230507744557,
1.1985841801027806,
0.06715844247215991
],
[
1.6760690250836114,
-1.1985841801027808,
2.9478116049999996
],
[
0,
0,
0
],
[
1.7142540256908447,
2.3971683602055616,
3.01497004747216
],
[
5.142338691843517,
-3.241975940654111... | [
[
1.6378840244763786,
-4.794336720411123,
2.88065316252784
],
[
5.066392075858068,
0,
-2.88065316252784
],
[
-1.6378840244763786,
4.794336720411123,
3.01497004747216
]
] | [
38,
38,
68,
73,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002299612> | I4/m | Er-O-Sr-Ta | 0.013664 | null | null | -0.000004 | 3,165.376052 | 125.638565 |
[
[
-5.051374066410842,
-3.58605605099819,
-8.658022160580506
],
[
-1.7145155307666478,
-1.2171636296982264,
-2.9386684226663164
],
[
0,
0,
0
],
[
-3.3829447985887446,
-2.401609840348208,
-5.798345291623411
],
[
-2.9303868771208106,
-3.5143661240... | [
[
-1.6780012749275086,
-4.803219680696416,
-2.8760832266234115
],
[
-5.087888322249981,
0,
-2.8760832266234115
],
[
0,
0,
-5.84452413
]
] | [
38,
38,
68,
73,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002230340> | R-3 | Er-O-Sr-Ta | 0.008678 | null | null | -0 | 3,165.376052 | 124.939552 |
[
[
-1.6412819462571133,
-1.188934689471803,
-2.9080247201452947
],
[
1.6412819462571129,
1.1889346894718034,
-2.9723744098547047
],
[
0,
0,
0
],
[
1.6712366697077485,
-2.392596576502885,
-2.9190559824382163
],
[
0.7324800299411102,
-1.0207156744... | [
[
-3.342473339415498,
4.785193153005771,
-0.04228716512356682
],
[
5.0714924754833115,
0,
-2.8899747078005795
],
[
-1.7290191360678135,
-4.785193153005771,
-2.9481372570758535
]
] | [
38,
38,
68,
73,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003269858> | C2/m | Er-O-Sr-Ta | 0.006566 | null | null | -0 | 3,165.376052 | 116.58847 |
[
[
-4.901071682133712e-16,
3.621616647359541,
5.503417288554857e-16
],
[
4.440892098500626e-16,
10.864849942078623,
6.661338147750939e-16
],
[
0,
0,
0
],
[
2.220446049250313e-16,
7.243233294719082,
4.440892098500626e-16
],
[
-0.8134959726898882,
... | [
[
1.7072464601373476,
4.828822196479388,
2.9570376100000004
],
[
1.7072464601373476,
4.828822196479388,
-2.9570376099999995
],
[
-3.4144929202746948,
4.828822196479388,
0
]
] | [
38,
38,
68,
73,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002299611> | Fm-3m | Er-O-Sr-Ta | 0.05656 | null | null | -0.000003 | 3,165.376052 | 119.600838 |
[
[
1.465905725,
0.5169772087693302,
1.3412627492577092
],
[
4.397717175,
5.466470119113967,
3.318777212201973
],
[
1.4659057249999998,
2.367173107222442,
4.9680499911022125
],
[
4.397717175,
3.616274220660855,
-0.3080100296425297
],
[
1.465905724999... | [
[
5.8636229,
0,
3.5904335079460603e-16
],
[
-3.663804808979532e-16,
5.983447327883297,
-2.6786164385403173
],
[
0,
0,
7.3386564
]
] | [
37,
37,
67,
67,
4,
4,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1209229 | P2_1/m | Be-F-Ho-Rb | 0 | 7.4885 | null | 0.00007 | 3,297.061518 | 37.268509 |
[
[
0,
0,
-4.228256645
],
[
0,
0,
0
],
[
-2.715994932696594,
-1.7451831886241453,
-6.843748392007604
],
[
-4.536707372069079,
-2.9150958060077645,
-2.255470513945647
],
[
-4.495033152285886,
-1.3526604250567955,
-1.9233181848438299
],
[
... | [
[
-2.129102306698339,
-4.66027899463191,
-0.3213528079766258
],
[
-5.123599998067335,
0,
-0.3213528079766258
],
[
0,
0,
-8.45651329
]
] | [
37,
67,
4,
4,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm004885458> | C2/m | Be-F-Ho-Rb | 0.031797 | null | null | 0 | 3,149.710999 | 13.058699 |
[
[
-0.9817263160568559,
-3.201764262174148,
-1.0908798154320216
],
[
0.20687747802404288,
-0.42641299748112743,
-7.3095347908269
],
[
-0.7041635031316842,
-5.198577404622445,
-4.211305232428591
],
[
2.865733424615664,
-5.685954374343378,
-4.7096627221778276... | [
[
6.43888231250406,
0,
-2.680431531461406
],
[
0.24901581669819292,
-7.256354519310549,
0.5981811207830265
],
[
-6.43888231250406,
0,
-6.3934653485385935
]
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003288386> | C2/c | Ho-Te | 0.087949 | null | null | 0.000222 | 3,525.391785 | 45.390469 |
[
[
0,
0,
-4.193880235
],
[
0,
0,
0
],
[
-4.4997206435505355,
-2.8058396665136653,
-2.0734847273175623
],
[
-2.609630193949863,
-1.6272574439951548,
-7.02359811603095
],
[
-4.4219990542340275,
-1.3274950081912076,
-1.8118119792041356
],
[... | [
[
-2.1725274251852,
-4.43309711050882,
-0.3546611866742559
],
[
-4.936823412315198,
0,
-0.3546611866742559
],
[
0,
0,
-8.38776047
]
] | [
37,
26,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002231038> | C2/m | Fe-O-Rb-S | 0 | null | null | 0.027236 | 2,156.675004 | 34.483768 |
[
[
1.4675269625,
0.5153203967424549,
1.3433346759984282
],
[
4.4025808875,
5.459663773509155,
3.3263088653536523
],
[
1.4675269624999998,
2.3608788847355253,
4.969362155463689
],
[
4.4025808875,
3.614105285516085,
-0.2997186141116079
],
[
1.46752696... | [
[
5.87010785,
0,
3.5944043945761257e-16
],
[
-3.6586226195273695e-16,
5.97498417025161,
-2.6648751386479197
],
[
0,
0,
7.33451868
]
] | [
37,
37,
66,
66,
4,
4,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1209211 | P2_1/m | Be-Dy-F-Rb | 0 | 7.4737 | null | 0.000068 | 3,298.352518 | 37.344788 |
[
[
0,
0,
0
],
[
3.211301896059638,
2.065181720871454,
5.025166949224058e-10
],
[
2.933765113809616,
-1.0325908604357275,
0.43089726257921046
],
[
1.6056509480298187,
1.0325908604357268,
-2.4928969547487423
],
[
4.190949956048012,
0.5418553996080... | [
[
1.8831877302798405,
4.130363441742908,
2.061999693174564
],
[
2.6562283315595945,
-4.130363441742908,
0.8617945246559048
],
[
0,
0,
-4.98579391
]
] | [
11,
22,
29,
29,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004851551> | I-42m | Cu-Na-O-Ti | 0.079507 | null | null | 0.003456 | 1,186.192752 | 92.622787 |
[
[
1.6667619165090688,
1.0664031009688268,
-2.574650719819169
],
[
0,
0,
0
],
[
3.031342619028078,
-1.066403100968827,
0.4667799711366596
],
[
3.333523833018137,
2.132806201937654,
3.6166225569900234e-10
],
[
3.80535962447678,
0.5228339795367948... | [
[
1.9689431304991274,
4.265612403875308,
2.107870749405834
],
[
2.7291614050380195,
-4.265612403875308,
0.933559941911657
],
[
0,
0,
-5.14930144
]
] | [
11,
11,
22,
29,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004760834> | I-4 | Cu-Na-O-Ti | 0.079644 | null | null | 0.009636 | 1,024.863938 | 75.156258 |
[
[
-0.9640295648521464,
-0.6523419383356297,
-4.7494177167692975
],
[
-3.6497558977030735,
-2.469725954021623,
-6.098198813875068
],
[
-3.6541612697748604,
-2.472706992219181,
-2.7149111194966173
],
[
-1.0113948216060933,
-2.472706992219181,
-1.376913919929... | [
[
-1.9940180723257248,
-4.978104299313178,
-2.715019602192843
],
[
-5.362614146813282,
0,
-2.715019602192843
],
[
0,
0,
-6.65353611
]
] | [
11,
11,
22,
22,
22,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004670196> | R3m | Cu-Na-O-Ti | 0.078396 | null | null | 0.005586 | 1,081.197758 | 92.564507 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.