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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
-2.610166519503426,
-0.405192234313929,
-1.0614090193599854
],
[
-0.8901840587180148,
-1.6175913104231208,
-5.824247002605841
],
[
-0.7634768976546155,
-5.72519869171555,
-4.693892079727281
],
[
1.0544002981771,
-2.4218567293481637,
-1.0614090193599854
... | [
[
3.8830753224479615,
-6.13039092602948,
1.1210635354563674
],
[
-7.256718739606002,
0,
1.1210635354563674
],
[
0,
0,
-7.99742817
]
] | [
62,
62,
62,
62,
62,
62,
31,
31,
16,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004640401> | C2/m | Ga-I-S-Sm | 0.078372 | null | null | -0.000018 | 3,383.65341 | 27.498297 |
[
[
0,
0,
0
],
[
5.570183321947054e-16,
6.40039493375733,
1.6904145394569525e-15
],
[
5.589251520768326e-16,
3.200197466878664,
5.121403623409293e-16
],
[
2.220446049250313e-16,
9.600592400635996,
1.1782741771160233e-15
]
] | [
[
1.5085875533106108,
4.26692995583822,
2.6129502900000006
],
[
1.5085875533106108,
4.26692995583822,
-2.6129502899999997
],
[
-3.017175106621221,
4.26692995583822,
0
]
] | [
57,
62,
29,
47
] | [
1,
1,
1
] | alex<agm001340419> | F-43m | Ag-Cu-La-Sm | 0.07224 | null | null | -0.000008 | 2,481.24133 | 62.849121 |
[
[
2.52670483,
2.52670483,
8.529487791589837
],
[
0,
0,
3.4177242715898366
],
[
2.52670483,
2.52670483,
1.705193525351885
],
[
0,
0,
6.816957045351884
],
[
2.52670483,
2.52670483,
5.099701598327668
],
[
0,
0,
10.2114651183276... | [
[
5.05340966,
0,
3.094320982449657e-16
],
[
-3.094320982449657e-16,
5.05340966,
3.094320982449657e-16
],
[
0,
0,
10.22352704
]
] | [
28,
28,
80,
80,
46,
46,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm005087254> | P4_2nm | F-Hg-Ni-Pd | 0.01884 | null | null | 0.00084 | 3,611.084111 | 70.284134 |
[
[
6.873240164593771,
2.8336696202139215,
6.566036557675092
],
[
3.436620081531143,
3.360443511761299,
2.2670626614498848
],
[
6.8732401653872,
0.8197848027860511,
2.5022140875586922
],
[
3.436620080737714,
5.3743283291891695,
6.330885131566285
],
[
... | [
[
6.873240165710178,
0,
0.47030285251130954
],
[
3.4366200804147358,
6.194113131975221,
0.235151426613668
],
[
0,
0,
8.12764494
]
] | [
19,
19,
32,
32,
51,
51,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm005028378> | C2/c | Au-Ge-K-Sb | 0.062572 | null | null | 0.000018 | 1,727.815272 | 42.226986 |
[
[
-4.5842992421020305,
0,
6.6965902780269815
],
[
-6.561306444406795,
0,
2.6968839057224985
],
[
-9.347707866345633,
-3.281413359113888,
8.072824509320826
],
[
-7.370700664040867,
-3.281413359113888,
-0.037757348374690504
],
[
-8.359204265193249,
... | [
[
-5.572802843254411,
0,
-1.3584070231252603
],
[
-2.786401422250469,
-6.562826718227776,
-0.6792035112407144
],
[
-5.572802843254411,
0,
10.75188120687474
]
] | [
37,
37,
37,
37,
24,
24,
5,
5,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004769190> | Fddd | B-Cr-Rb-S | 0.097854 | null | null | 0.013532 | 3,836.102908 | 12.880792 |
[
[
2.65691198756421,
1.1995752410498364,
2.0777252650000007
],
[
0.5844210746893648,
3.59872572314951,
2.077725265000001
],
[
0.789504355578015,
-1.1995752410498368,
2.077725265
],
[
2.705274761498955,
3.59872572314951,
2.077725265000001
]
] | [
[
3.8254455,
0,
2.342409793443823e-16
],
[
-2.2035839689321456e-16,
3.59872572314951,
2.077725265000001
],
[
2.2035839689321456e-16,
-3.59872572314951,
2.0777252649999993
]
] | [
58,
27,
33,
1
] | [
1,
1,
1
] | alex<agm005180833> | P3m1 | As-Ce-Co-H | 0 | null | null | -0.002264 | 3,260.076048 | 80.741959 |
[
[
2.593251735879534,
3.299725207002694,
4.484719935397221
],
[
2.583312515223923,
2.2784840176299492,
7.633654185989792
],
[
5.206970518503669,
4.6123354489360615,
6.1321729910084395
],
[
5.337901616849209,
2.3881986516837586,
3.003822662388568
],
[
... | [
[
5.257541465520328,
0,
0.039738138610884946
],
[
2.5844238227554364,
4.6162592693149795,
1.5853873977560258
],
[
0,
0,
9.03582476
]
] | [
3,
23,
23,
23,
23,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-776457 | P1 | F-Li-O-V | 0.04861 | 0.9946 | null | 0.03648 | 2,394.897157 | 38.423466 |
[
[
3.004032405336621e-8,
2.9593738801933154,
4.960226816452431
],
[
3.0953299484349364,
1.9830070263448012,
0.27585560713395824
],
[
3.09532998,
0,
3.8155286
],
[
-1.5158360337075435e-10,
0.491352234442484,
1.6238982878158748
],
[
3.095329978626845,... | [
[
6.19065996,
0,
3.7906859523118404e-16
],
[
-3.095329981524739,
4.942380906538117,
-2.394974776413611
],
[
0,
0,
7.6310572
]
] | [
37,
37,
56,
47,
47,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm004578243> | C2/m | Ag-Ba-H-Rb | 0.036254 | null | null | 0.000029 | 3,136.449993 | 15.533234 |
[
[
3.054867885,
1.6753879842658994,
1.7031770343790036
],
[
1.0182892949999995,
7.389864795827473,
5.365056708809424
],
[
3.054867885,
0.793985150633507,
5.5936375907643265
],
[
1.0182892949999995,
8.271267629459865,
1.4745961524240998
],
[
3.054867... | [
[
4.07315718,
0,
2.4940894514555296e-16
],
[
-5.550866400301497e-16,
9.065252780093372,
-2.563039866811573
],
[
0,
0,
9.63127361
]
] | [
37,
37,
30,
30,
83,
83,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm005026055> | P2_1/m | Bi-Rb-S-Zn | 0.012442 | null | null | 0.000039 | 4,357.311071 | 22.777386 |
[
[
3.8564380920282564,
3.98330121235689,
-1.6439176405398024
],
[
-0.012923753805535013,
2.7743598398643603,
4.061014690358869
],
[
0,
0,
0
],
[
3.3809119998174,
0,
2.8550095673817095
],
[
0.6242857285846612,
2.6420847066620765,
-0.617961452... | [
[
6.7618239996348,
0,
-2.35584995523658
],
[
-2.918309661412079,
6.75766105222125,
-3.292922084944353
],
[
0,
0,
8.06586909
]
] | [
37,
37,
67,
1,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004924669> | P-1 | Br-H-Ho-Rb | 0.054998 | null | null | 0.000008 | 5,942.57708 | 4.389118 |
[
[
0,
0,
0
],
[
2.4162151513669547,
0.8312074610448376,
1.672452805443338
],
[
0.9293384457020556,
-0.8312074610448377,
2.787745345
],
[
2.348113613222066,
-1.115196106522196,
1.4681680303384537
],
[
0.9974399838469444,
1.1151961065221963,
2... | [
[
0.3718001857392122,
-3.3248298441793502,
1.1152925395566617
],
[
3.3455535970690105,
0,
-1.1152925395566617
],
[
-0.3718001857392122,
3.3248298441793502,
4.460198150443338
]
] | [
62,
24,
26,
6,
6
] | [
1,
1,
1
] | alex<agm005022000> | I-4m2 | C-Cr-Fe-Sm | 0.087562 | null | null | 0.012877 | 2,726.549832 | 201.377701 |
[
[
2.583401452403562,
0.02025269143334001,
-1.1174472209776836
],
[
4.598375063579832,
2.4936484432516437,
3.364010901115176
],
[
4.142739857419025,
-1.2165399585485903,
2.3506427452259535
],
[
0.9910649808526693,
1.2165399585485897,
2.204205644842792
],
... | [
[
1.0378614828482946,
-5.0278022693699675,
2.3082847099312533
],
[
5.133804838271694,
0,
-2.3082847099312533
],
[
-1.0378614828482946,
5.0278022693699675,
4.554848390068747
]
] | [
69,
69,
69,
69,
31,
14,
16,
16
] | [
1,
1,
1
] | alex<agm004871538> | I-4m2 | Ga-S-Si-Tm | 0.092469 | null | null | -0.000165 | 2,768.940774 | 51.428493 |
[
[
0,
0,
3.5101188878374594
],
[
-1.6372609954288832e-16,
2.67385012,
6.599413612001853
],
[
2.67385012,
0,
6.599413612001853
],
[
2.67385012,
2.67385012,
4.567912263219119
],
[
0,
0,
0.3428391906158418
]
] | [
[
5.34770024,
0,
3.2745219908577665e-16
],
[
-3.2745219908577665e-16,
5.34770024,
3.2745219908577665e-16
],
[
0,
0,
7.20656451
]
] | [
56,
20,
20,
83,
33
] | [
1,
1,
1
] | alex<agm004989424> | P4mm | As-Ba-Bi-Ca | 0.050941 | null | null | 0.000021 | 3,968.31756 | 28.108986 |
[
[
1.50681484,
1.50681484,
1.8453159707137314e-16
],
[
1.50681484,
1.50681484,
3.42334084
],
[
0,
0,
5.335670314869783
],
[
0,
0,
1.5110113651302168
]
] | [
[
3.01362968,
0,
1.8453159707137314e-16
],
[
-1.8453159707137314e-16,
3.01362968,
1.8453159707137314e-16
],
[
0,
0,
6.84668168
]
] | [
13,
49,
77,
77
] | [
1,
1,
1
] | alex<agm003168854> | P4/mmm | Al-In-Ir | 0.042865 | null | null | -0.000019 | 7,135.552304 | 189.880676 |
[
[
1.2546395105188313,
-1.0448953521138848,
-3.0497118203897133
],
[
-1.0104008255182109,
-3.437506047669475,
-4.554820850379983
],
[
-0.8633999538900206,
-6.774176639222201,
-3.892150607890039
],
[
0.3771289093622202,
-5.71220365197204,
-7.005472304723647
... | [
[
3.6811737504966144,
0,
-0.8165987306507795
],
[
0.39123955662881066,
-7.819071991336086,
1.7636823717202474
],
[
-3.6811737504966144,
0,
-7.88894606934922
]
] | [
69,
69,
69,
69,
69,
69,
31,
6,
6,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004604516> | C2/m | C-Ga-Se-Tm | 0.086778 | null | null | 0.000032 | 2,779.832061 | 44.794186 |
[
[
2.00328822,
0,
3.507327355
],
[
-2.0043377812339668e-16,
3.273332004998445,
2.3676188233189457
],
[
2.00328822,
3.273332004998445,
-1.1397085316810545
],
[
0,
0,
0
],
[
2.00328822,
1.6056232274965396,
1.048628608697303
],
[
2.0032... | [
[
4.00657644,
0,
2.4533205063925985e-16
],
[
-4.0086755624679337e-16,
6.54666400999689,
-2.2794170633621094
],
[
0,
0,
7.01465471
]
] | [
62,
62,
72,
40,
33,
33,
33,
33
] | [
1,
1,
1
] | alex<agm004838229> | P2/m | As-Hf-Sm-Zr | 0.031329 | null | null | -0.000088 | 3,254.990918 | 72.390091 |
[
[
4.213691149299833,
2.1062307543731538,
3.3017730305966255
],
[
3.055674332239305,
6.155493981519338,
3.9912210254070524
],
[
-0.9423966716446259,
4.475774833467238,
1.497796523728418
],
[
4.800948893542441,
2.229375704365728,
0.9322050319289572
],
[
... | [
[
6.332321561660178,
0,
-1.6261048849454267
],
[
-3.241520859282448,
6.219693219553039,
-2.338286362510009
],
[
0,
0,
8.0613752
]
] | [
25,
81,
53,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm005099982> | C2 | Cl-I-Mn-Tl | 0.036313 | null | null | 0.009484 | 3,932.920464 | 3.996048 |
[
[
-0.016888423552279257,
3.1695873850886853,
1.2028040808685347
],
[
0.012146250676809116,
0.011073383532489697,
3.8440946624953996
],
[
2.5896710478439586,
2.735005071585027,
3.5879413432482727
],
[
2.483870334258176,
2.6613525369352975,
7.386901586857657... | [
[
5.214240780570642,
0,
-0.031179252557816638
],
[
-0.07892895757186771,
5.484588178548637,
-0.42353616375119235
],
[
0,
0,
7.63254315
]
] | [
3,
23,
23,
23,
23,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-776414 | P1 | F-Li-O-V | 0.042094 | 1.0343 | null | 0.036651 | 2,394.897157 | 42.589809 |
[
[
1.546539835,
0,
3.43964746
],
[
-1.844382503601382e-8,
3.4804583770383277,
0.08950602569525265
],
[
1.5465398492920321,
1.3711441339463206,
6.228424939877833
],
[
-1.6049958349867824e-8,
0.6830911272551307,
1.3247589478099164
],
[
1.5465398468981... | [
[
3.09307967,
0,
1.8939650586866256e-16
],
[
-1.5465398391517926,
4.851602510984648,
-0.5613639544269157
],
[
0,
0,
6.87929492
]
] | [
13,
23,
23,
75,
75,
74,
74
] | [
1,
1,
1
] | alex<agm004557069> | C2/m | Al-Re-V-W | 0.038311 | null | null | 0.000014 | 3,663.435938 | 236.506821 |
[
[
1.7737196249999998,
2.6557832,
2.7122882282252044e-16
],
[
0,
0,
4.667849625
],
[
1.773719625,
0.271644553754112,
2.1251449687527
],
[
-1.79253251418505e-16,
2.9274277537541122,
2.5427046562472997
],
[
1.7737196249999998,
5.039921846245888,
... | [
[
3.54743925,
0,
2.1721800613410938e-16
],
[
-3.2523963951093153e-16,
5.3115664,
3.2523963951093153e-16
],
[
0,
0,
9.33569925
]
] | [
19,
19,
3,
3,
3,
3,
79,
79,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004756465> | Pnnm | Au-K-Li-O | 0.061352 | null | null | 0.000025 | 1,960.583863 | 50.013374 |
[
[
-2.88442636,
-1.6653243354036522,
-2.9051931825000006
],
[
-2.88442636,
1.6653243354036527,
-8.7155795475
],
[
0,
0,
0
],
[
0,
0,
-5.810386365
],
[
-2.88442636,
1.6653243354036527,
-2.9051931825
],
[
-2.88442636,
-1.6653243354... | [
[
-2.8844263600000004,
-4.995973006210957,
-7.064807018300502e-16
],
[
-2.8844263599999995,
4.995973006210957,
3.532403509150251e-16
],
[
0,
0,
-11.62077273
]
] | [
25,
25,
49,
49,
42,
42,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm005088321> | P-31c | F-In-Mn-Mo | 0.030062 | null | null | 0.047789 | 2,654.801276 | 29.3918 |
[
[
-3.7425306700000003,
-2.160751089774932,
-3.6079283999999987
],
[
-3.7425306699999994,
2.160751089774932,
-10.8237852
],
[
-3.7425306699999994,
2.160751089774932,
-3.6079283999999983
],
[
-3.7425306700000003,
-2.160751089774932,
-10.823785200000001
],
... | [
[
-3.7425306700000007,
-6.482253269324792,
-9.166556411452598e-16
],
[
-3.742530669999999,
6.482253269324792,
4.583278205726299e-16
],
[
0,
0,
-14.4317136
]
] | [
20,
20,
65,
65,
81,
81,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm005085519> | P-31c | Br-Ca-Tb-Tl | 0 | null | null | 0.000011 | 5,878.160436 | 6.571375 |
[
[
0,
0,
4.450056605
],
[
0,
0,
0
],
[
2.15060296,
2.15060296,
1.2317923114757032
],
[
2.15060296,
2.15060296,
7.668320898524298
],
[
-1.3168645156004117e-16,
2.15060296,
2.423784473691003
],
[
2.15060296,
0,
2.42378447369100... | [
[
4.30120592,
0,
2.6337290312008234e-16
],
[
-2.6337290312008234e-16,
4.30120592,
2.6337290312008234e-16
],
[
0,
0,
8.90011321
]
] | [
20,
39,
32,
32,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm005168301> | P4/mmm | Ca-Ge-Pd-Y | 0.077254 | null | null | 0.000105 | 5,982.540276 | 107.410469 |
[
[
4.440892098500626e-16,
7.557166507652757,
7.771561172376096e-16
],
[
-4.1633103721229297e-16,
2.51905550255092,
2.220446049250313e-16
],
[
0,
0,
0
],
[
2.220446049250313e-16,
5.038111005101838,
4.440892098500626e-16
]
] | [
[
1.1874941520260276,
3.358740670067892,
2.0568002050000005
],
[
1.1874941520260276,
3.358740670067892,
-2.0568002049999996
],
[
-2.3749883040520547,
3.358740670067892,
0
]
] | [
22,
30,
26,
28
] | [
1,
1,
1
] | alex<agm001292459> | F-43m | Fe-Ni-Ti-Zn | 0.075488 | null | null | -0.000092 | 1,611.344147 | 173.079453 |
[
[
2.24569752,
0,
2.6543095919185906
],
[
-1.3750931398605745e-16,
2.24569752,
8.63200977808141
],
[
2.24569752,
2.24569752,
5.643159685
],
[
0,
0,
5.643159685
],
[
2.24569752,
0,
9.804449563716064
],
[
-1.3750931398605745e-16,
2... | [
[
4.49139504,
0,
2.750186279721149e-16
],
[
-2.750186279721149e-16,
4.49139504,
2.750186279721149e-16
],
[
0,
0,
11.28631937
]
] | [
20,
20,
49,
51,
51,
51,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm004538527> | P-4m2 | Ca-In-Pd-Sb | 0.040187 | null | null | 0.000163 | 5,068.556313 | 74.77198 |
[
[
8.509545756691985,
3.967631314487875,
4.243425474508874
],
[
4.802462047488903,
0,
7.738272171242869
],
[
1.667344686975654,
2.2082241987923594,
6.760121247069067
],
[
5.117248942277749,
2.2082241987923594,
3.1941247340349954
],
[
1.9821315796737... | [
[
6.784593627162694,
0,
2.098601480335025
],
[
3.3922968165049445,
6.175855513280235,
1.049300741242916
],
[
0,
0,
7.8556445
]
] | [
62,
62,
62,
62,
62,
62,
44,
44,
79,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004628000> | C2/m | Au-Cl-Ru-Sm | 0.054529 | null | null | -0.000032 | 3,388.91334 | 31.312382 |
[
[
-7.657358177864693,
-8.836092200123478,
-0.8393593838984504
],
[
-3.172516886504697,
-5.542051791277254,
2.0316576403280187
],
[
-3.6494704680933236,
-7.539424949246027,
-3.122008548908426
],
[
-7.180404596276069,
-6.838719042154705,
4.314306805337996
... | [
[
-7.396511976487757,
0,
-0.8463885209933002
],
[
-1.7166815439408172,
-7.189071995700366,
-3.641516551288565
],
[
-1.7166815439408172,
-7.189071995700366,
5.680203328711435
]
] | [
19,
19,
72,
72,
81,
81,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm005028920> | C2/c | Hf-K-Te-Tl | 0.053744 | null | null | -0.000002 | 4,907.967938 | 14.968574 |
[
[
4.4937998074329295,
2.5154284145586914,
2.6348998786337736
],
[
4.944748290518562,
0.01743618392102612,
10.284364997334697
],
[
3.681942623698876,
2.347363752526971,
6.057216516346271
],
[
5.420818884641601,
3.693863493448053,
8.917091257325515
],
[
... | [
[
4.948566939977412,
0,
1.3346756709356749
],
[
2.101396456007598,
4.664575687807951,
1.5652939561049777
],
[
0,
0,
9.00732684
]
] | [
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-755130 | P1 | F-Li-O-V | 0.042335 | 1.1491 | null | 0.019274 | 2,269.18721 | 45.712971 |
[
[
2.2253991808072726,
7.172568998991613,
10.793347028315235
],
[
2.1824945174676197e-8,
2.1271347573294697,
9.184508768809556
],
[
-2.273396450904917e-8,
2.379618757233271,
4.110122273315235
],
[
2.2253991362483636,
7.425052998895414,
2.501284013809556
]... | [
[
4.45079832,
0,
2.7253279581192084e-16
],
[
-2.225399161926691,
9.552187756224884,
6.005662545188874e-16
],
[
0,
0,
13.36644951
]
] | [
57,
57,
57,
57,
67,
67,
47,
47,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm005160018> | Cmc2_1 | Ag-Ho-La-Te | 0.016152 | null | null | 0.00005 | 3,911.893303 | 40.226574 |
[
[
2.6581075,
3.20941255,
3.2094125500000006
],
[
-1.9651984032504224e-16,
3.20941255,
1.9651984032504224e-16
],
[
0,
0,
3.20941255
],
[
0,
0,
0
],
[
2.6581075,
0,
1.6276214208322865e-16
]
] | [
[
5.316215,
0,
3.255242841664573e-16
],
[
-3.930396806500845e-16,
6.4188251,
3.930396806500845e-16
],
[
0,
0,
6.4188251
]
] | [
55,
19,
19,
78,
82
] | [
1,
1,
1
] | alex<agm001612941> | P4/mmm | Cs-K-Pb-Pt | 0.081981 | null | null | -0.000038 | 5,720.170226 | 18.709274 |
[
[
-1.3909184787280133,
-3.908875265552914,
-5.1492819331855255
],
[
1.9245175217202928,
-6.4930671223942795,
-1.174344252570492
],
[
1.0624223534012733,
-5.737581452161173,
-4.3658836650448105
],
[
0.33969722818619313,
-1.745606525407743,
-7.04146497546898... | [
[
4.178573860179601,
0,
-1.128711845429397
],
[
0.6258836411925675,
-7.027503036005001,
2.3170670469984733
],
[
-4.178573860179601,
0,
-7.170337214570603
]
] | [
72,
72,
72,
72,
72,
72,
72,
72,
13,
82,
82
] | [
1,
1,
1
] | alex<agm003533844> | C2/m | Al-Hf-Pb | 0.041029 | null | null | 0.000446 | 2,399.555901 | 102.898651 |
[
[
2.60003037,
2.1678888585318785,
1.043905723075898
],
[
2.6000303699999994,
3.998605111468122,
5.122588246924103
],
[
2.60003037,
1.0439057230758977,
3.998605111468122
],
[
2.6000303699999994,
5.122588246924103,
2.167888858531879
],
[
-1.327449075... | [
[
5.20006074,
0,
3.184118870306408e-16
],
[
-3.7758885511609774e-16,
6.16649397,
3.7758885511609774e-16
],
[
0,
0,
6.16649397
]
] | [
41,
41,
41,
41,
41,
41,
41,
41,
30,
30,
15,
15
] | [
1,
1,
1
] | alex<agm002179212> | P4/mcc | Nb-P-Zn | 0.07833 | null | null | -0.000066 | 7,590.779905 | 178.554749 |
[
[
2.1837165,
0,
3.972741165
],
[
-2.2411082268886825e-16,
3.6600074869734347,
2.771933858872934
],
[
2.1837164999999996,
3.6600074869734347,
-1.2008073061270659
],
[
0,
0,
0
],
[
2.1837165,
1.6938610541909214,
1.2537249495678098
],
[
... | [
[
4.367433,
0,
2.674281421970261e-16
],
[
-4.482216453777365e-16,
7.320014973946869,
-2.401614612254132
],
[
0,
0,
7.94548233
]
] | [
20,
20,
66,
72,
83,
83,
83,
83
] | [
1,
1,
1
] | alex<agm004848952> | P2/m | Bi-Ca-Dy-Hf | 0.039737 | null | null | 0.000014 | 4,855.417163 | 40.41721 |
[
[
-2.629543225,
1.518167488799507,
-2.31711066
],
[
-2.6295432250000004,
-1.5181674887995071,
-6.95133198
],
[
0,
0,
0
],
[
0,
0,
-4.63422132
],
[
-2.6295432250000004,
-1.5181674887995071,
-2.3171106600000004
],
[
-2.629543225,
... | [
[
-2.6295432250000004,
-4.55450246639852,
-6.440523387431717e-16
],
[
-2.6295432249999995,
4.55450246639852,
3.2202616937158584e-16
],
[
0,
0,
-9.26844264
]
] | [
12,
12,
25,
25,
27,
27,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm005088345> | P-31c | Co-F-Mg-Mn | 0.033975 | null | null | 0.072021 | 1,749.423329 | 74.36689 |
[
[
9.593093541293405e-10,
5.1006729175855074,
5.4303684825000005
],
[
1.869436085090675,
0.48212018677687135,
1.8101228275000003
],
[
1.8694361041835297,
2.600923207842071,
5.4303684825000005
],
[
-1.813354542906985e-8,
2.9818698965203074,
1.810122827500000... | [
[
3.73887217,
0,
2.2893989177058095e-16
],
[
-1.869436083950016,
5.582793104362379,
3.6050391355314117e-16
],
[
0,
0,
7.24049131
]
] | [
20,
20,
14,
14,
1,
1,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm005007957> | Cmcm | Ca-H-Pt-Si | 0 | null | null | -0.000326 | 7,939.081865 | 98.063202 |
[
[
-5.16090886095666,
-3.405736259947584,
-9.204047137986027
],
[
-2.0445429029577165,
-1.3492146610647278,
-2.366254130634816
],
[
0,
0,
0
],
[
-3.602725881957188,
-2.377475460506156,
-5.785150634310422
],
[
-4.547703857265949,
-1.2619723431502... | [
[
-2.0338056391996995,
-4.754950921012312,
-2.389493154310421
],
[
-5.171646124714677,
0,
-2.389493154310421
],
[
0,
0,
-6.79131496
]
] | [
20,
20,
14,
1,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm004925327> | R-3m | Ca-H-Pt-Si | 0.073334 | null | null | -0.000352 | 8,445.703934 | 105.198517 |
[
[
0,
0,
2.776428255
],
[
1.9912186299999999,
1.99121863,
4.10594574617535
],
[
1.9912186299999999,
1.99121863,
1.4469107638246506
],
[
1.99121863,
0,
1.219269760816039e-16
],
[
-1.219269760816039e-16,
1.99121863,
1.219269760816039e-16
],
... | [
[
3.98243726,
0,
2.438539521632078e-16
],
[
-2.438539521632078e-16,
3.98243726,
2.438539521632078e-16
],
[
0,
0,
5.55285651
]
] | [
58,
31,
31,
27,
27,
5
] | [
1,
1,
1
] | alex<agm002361224> | P4/mmm | B-Ce-Co-Ga | 0.060327 | null | null | 0.027622 | 2,545.487472 | 148.550476 |
[
[
-1.0123928787410299e-16,
1.6533630422190255,
4.68020896315292
],
[
-2.991303007574997e-16,
4.885168539464046,
0.16207243566945564
],
[
1.9968278249999998,
4.8529820946706845,
3.5480989358602684
],
[
1.996827825,
1.685549487012387,
1.2941824629621073
],... | [
[
3.99365565,
0,
2.445408804334621e-16
],
[
-4.003695886316027e-16,
6.538531581683071,
-2.2377355111776254
],
[
0,
0,
7.08001691
]
] | [
66,
66,
66,
66,
33,
79,
16,
16
] | [
1,
1,
1
] | alex<agm004860211> | P2/m | As-Au-Dy-S | 0.072274 | null | null | -0.000123 | 2,612.307815 | 68.924301 |
[
[
0.04219233016042122,
3.0155348097758385,
2.1950215946592024
],
[
0.17543969385765312,
5.217906824769021,
4.015409131428303
],
[
0.14241227267311699,
0.23346027096320024,
0.0502971659668791
],
[
2.742406467059788,
2.812691658627369,
0.18978280758874805
... | [
[
5.207320073972242,
0,
0.015785485159720062
],
[
0.0473463549812638,
5.408429573349401,
0.3192802822873024
],
[
0,
0,
7.49524398
]
] | [
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-776430 | P1 | F-Li-O-V | 0.085316 | 0.6896 | null | 0.018951 | 2,269.18721 | 40.544849 |
[
[
0,
0,
0
],
[
2.220446049250313e-16,
6.25162750124465,
4.440892098500626e-16
],
[
2.220446049250313e-16,
9.377441251866975,
7.771561172376096e-16
],
[
-2.220446049250313e-16,
3.1258137506223242,
7.887504516190801e-16
]
] | [
[
1.4735227331941345,
4.167751667496433,
2.5522162400000004
],
[
1.4735227331941345,
4.167751667496433,
-2.5522162399999995
],
[
-2.9470454663882686,
4.167751667496433,
0
]
] | [
63,
67,
30,
31
] | [
1,
1,
1
] | alex<agm001360423> | F-43m | Eu-Ga-Ho-Zn | 0.05182 | null | null | 0.074789 | 2,741.263367 | 58.954987 |
[
[
-3.737477414999999,
2.1578335916403955,
-3.3543676325
],
[
-3.7374774150000003,
-2.1578335916403972,
-10.0631028975
],
[
0,
0,
0
],
[
0,
0,
-6.708735265
],
[
-3.7374774150000003,
-2.1578335916403972,
-3.3543676325000003
],
[
-3.73... | [
[
-3.7374774150000007,
-6.47350077492119,
-9.154179506330547e-16
],
[
-3.737477414999999,
6.47350077492119,
4.577089753165274e-16
],
[
0,
0,
-13.41747053
]
] | [
59,
59,
49,
49,
82,
82,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm005091984> | P-31c | Cl-In-Pb-Pr | 0.010248 | null | null | 0.000014 | 2,010.655639 | 10.655356 |
[
[
2.077114246280185e-8,
3.942810444741543,
2.7043896700000003
],
[
2.0734892492983077,
3.6110779606309436,
8.11316901
],
[
0,
0,
5.40877934
],
[
0,
0,
0
],
[
2.0734892492709474,
0.6352021702913814,
2.70438967
],
[
2.0798502545130933... | [
[
4.14697854,
0,
2.5392919975718823e-16
],
[
-2.0734892699305503,
7.553888405372486,
4.796512843017843e-16
],
[
0,
0,
10.81755868
]
] | [
37,
37,
39,
39,
48,
48,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002237312> | Cmcm | Cd-Rb-S-Y | 0.041391 | null | null | -0.00008 | 2,575.309968 | 24.212473 |
[
[
0,
0,
0
],
[
-5.378250025378197,
-3.6717807094419816,
-5.786072479733133
],
[
-3.6264113451566176,
-2.4757843459892483,
-9.147183980547547
],
[
0,
0,
-4.02622159
],
[
-3.300415129927886,
0,
-5.74642491007017
],
[
-7.80274581519529... | [
[
-2.4038311106790435,
-6.1475650554312296,
-3.4404066401403406
],
[
-6.600830259855772,
0,
-3.4404066401403406
],
[
0,
0,
-8.05244318
]
] | [
41,
81,
81,
24,
24,
24,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm004497951> | R-3m | Cr-F-Nb-Tl | 0.038185 | null | null | 0.033699 | 5,031.470657 | 25.299402 |
[
[
1.3155372196481059,
-0.7005720501134705,
-3.12693382949054
],
[
-1.1003198866626347,
-3.282189625013212,
-4.841548673598939
],
[
-0.9029145338018262,
-7.093093492995423,
-3.97293979449262
],
[
0.31420338241690166,
-5.8365522838887705,
-7.532931275120022
... | [
[
3.853341905684729,
0,
-0.8757339889898238
],
[
0.4126226858462791,
-7.793665543108894,
1.8155927560168401
],
[
-3.853341905684729,
0,
-8.039732391010176
]
] | [
66,
66,
66,
66,
66,
66,
15,
15,
78,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004598092> | C2/m | Dy-P-Pt-S | 0.055898 | null | null | 0.000151 | 3,922.442203 | 78.663269 |
[
[
1.1102230246251565e-16,
9.535238422130208,
5.551115123125783e-16
],
[
5.547380702214405e-16,
6.356825614753472,
4.440892098500626e-16
],
[
0,
0,
0
],
[
-2.220446049250313e-16,
3.178412807376735,
7.982865901645652e-16
]
] | [
[
1.498318166337508,
4.2378837431689815,
2.5951631900000005
],
[
1.498318166337508,
4.2378837431689815,
-2.5951631899999996
],
[
-2.9966363326750156,
4.2378837431689815,
0
]
] | [
3,
66,
68,
50
] | [
1,
1,
1
] | alex<agm001335967> | F-43m | Dy-Er-Li-Sn | 0.093103 | null | null | 0.000111 | 2,725.766013 | 46.349617 |
[
[
2.108908285,
0,
2.576952956405406
],
[
-1.291333890460292e-16,
2.108908285,
8.271253143594594
],
[
2.108908285,
2.108908285,
2.582667780920584e-16
],
[
0,
0,
0
],
[
2.108908285,
0,
7.001946096462957
],
[
-1.291333890460292e-16,
... | [
[
4.21781657,
0,
2.582667780920584e-16
],
[
-2.582667780920584e-16,
4.21781657,
2.582667780920584e-16
],
[
0,
0,
10.8482061
]
] | [
66,
66,
13,
13,
13,
13,
48,
46,
46,
46
] | [
1,
1,
1
] | alex<agm004525219> | P-4m2 | Al-Cd-Dy-Pd | 0.079055 | null | null | 0.000107 | 4,413.200338 | 101.951591 |
[
[
-2.9182710663147984,
-1.719627881870572,
-6.4518878552376915
],
[
-4.327994083584827,
-2.5503248771546794,
-9.958721756530363
],
[
-1.508548049044769,
-0.8889308865864641,
-2.94505395394502
],
[
0,
0,
0
]
] | [
[
-1.9049587368878647,
-3.439255763741144,
-0.6916210802376911
],
[
-3.9315833957417317,
0,
-0.6916210802376911
],
[
0,
0,
-11.52053355
]
] | [
59,
63,
63,
53
] | [
1,
1,
1
] | alex<agm001983061> | R-3m | Eu-I-Pr | 0.092019 | null | null | 0.093659 | 3,477.335071 | 19.455818 |
[
[
2.15783628,
0,
2.527859510887813
],
[
-1.321293646693016e-16,
2.15783628,
8.18262673911219
],
[
2.15783628,
2.15783628,
2.642587293386032e-16
],
[
0,
0,
0
],
[
2.15783628,
0,
6.9079973685618254
],
[
-1.321293646693016e-16,
2.1... | [
[
4.31567256,
0,
2.642587293386032e-16
],
[
-2.642587293386032e-16,
4.31567256,
2.642587293386032e-16
],
[
0,
0,
10.71048625
]
] | [
62,
62,
31,
31,
31,
31,
80,
46,
46,
46
] | [
1,
1,
1
] | alex<agm004534085> | P-4m2 | Ga-Hg-Pd-Sm | 0.059701 | null | null | 0.000286 | 4,218.459392 | 81.732925 |
[
[
2.04928293,
0,
2.947212454982601
],
[
-1.2548238903859047e-16,
2.04928293,
8.885569645017398
],
[
0,
0,
5.91639105
],
[
2.04928293,
0,
10.321823388417538
],
[
-1.2548238903859047e-16,
2.04928293,
1.5109587115824599
],
[
2.04928293... | [
[
4.09856586,
0,
2.5096477807718095e-16
],
[
-2.5096477807718095e-16,
4.09856586,
2.5096477807718095e-16
],
[
0,
0,
11.8327821
]
] | [
62,
62,
31,
31,
31,
80,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm004534086> | P-4m2 | Ga-Hg-Pd-Sm | 0.066227 | null | null | 0.000135 | 4,714.940514 | 89.21904 |
[
[
2.6381728471763517,
0.39864371639998897,
1.416635612791141
],
[
4.795571568319637,
5.235886700284272,
3.437545923312504
],
[
2.4133694823790335,
2.80766190393387,
0.015792175662081992
],
[
2.2822666187876255,
2.6006201654551364,
3.6449186330836705
],
... | [
[
5.1606292999041194,
0,
-0.0026880980485946963
],
[
-0.2986972714308187,
5.396630743613545,
-0.2826549032189846
],
[
0,
0,
7.51796404
]
] | [
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-775904 | P1 | F-Li-O-V | 0.067415 | 0.6176 | null | 0.019095 | 2,269.18721 | 54.31472 |
[
[
1.8866855449999997,
1.886685545,
1.9013847250000002
],
[
-1.1552617068409147e-16,
1.886685545,
1.1552617068409147e-16
],
[
1.886685545,
0,
1.1552617068409147e-16
],
[
0,
0,
0
],
[
0,
0,
1.901384725
]
] | [
[
3.77337109,
0,
2.3105234136818295e-16
],
[
-2.3105234136818295e-16,
3.77337109,
2.3105234136818295e-16
],
[
0,
0,
3.80276945
]
] | [
30,
29,
29,
1,
44
] | [
1,
1,
1
] | alex<agm001664198> | P4/mmm | Cu-H-Ru-Zn | 0.068797 | null | null | 0.000944 | 3,826.928069 | 168.141373 |
[
[
1.5946798353742475,
5.521864658102764,
8.036844029304135
],
[
1.0840465904987425e-10,
1.5994648839647114,
6.835605037372989
],
[
1.1840613378327138e-10,
1.7470326582982711,
3.0670359493041346
],
[
1.594679835384249,
5.669432432436324,
1.8657969573729893
... | [
[
3.18935967,
0,
1.9529195555975793e-16
],
[
-1.5946798345073463,
7.268897316401035,
4.556767076311293e-16
],
[
0,
0,
9.93961616
]
] | [
62,
62,
62,
62,
41,
41,
14,
14,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm005151825> | Cmc2_1 | N-Nb-Si-Sm | 0.072476 | null | null | -0.000173 | 3,686.685158 | 188.778107 |
[
[
-3.491390105,
2.015755016967746,
-3.664987225
],
[
-3.491390105,
-2.015755016967746,
-10.994961675
],
[
0,
0,
0
],
[
0,
0,
-7.32997445
],
[
-3.491390105,
-2.015755016967746,
-3.6649872250000004
],
[
-3.491390105,
2.01575501696... | [
[
-3.4913901050000007,
-6.0472650509032375,
-8.551439433325982e-16
],
[
-3.491390104999999,
6.0472650509032375,
4.275719716662991e-16
],
[
0,
0,
-14.6599489
]
] | [
40,
40,
81,
81,
29,
29,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm005084534> | P-31c | Br-Cu-Tl-Zr | 0.057128 | null | null | 0.000182 | 5,925.534176 | 6.493852 |
[
[
8.390746231551502e-16,
2.7128635890712562,
-5.157131982569394e-16
],
[
8.390746231551502e-16,
8.138590767213767,
4.2021454704777035e-16
],
[
1.0120154315352064e-15,
5.425727178142512,
-4.7749325604584536e-17
],
[
0,
0,
0
]
] | [
[
1.2788561601775736,
3.6171514520950074,
2.2150438450000003
],
[
1.2788561601775736,
3.6171514520950074,
-2.2150438449999994
],
[
-2.557712320355147,
3.6171514520950074,
0
]
] | [
41,
13,
24,
75
] | [
1,
1,
1
] | alex<agm001397928> | F-43m | Al-Cr-Nb-Re | 0.080326 | null | null | 0.048326 | 4,669.831707 | 206.106049 |
[
[
-2.220446049250313e-16,
3.1126354651875285,
7.863612461189717e-16
],
[
2.220446049250313e-16,
9.33790639556259,
7.771561172376096e-16
],
[
0,
6.225270930375059,
7.2624753044703285e-16
],
[
0,
0,
0
]
] | [
[
1.4673104298638975,
4.1501806202500395,
2.5414562150000006
],
[
1.4673104298638975,
4.1501806202500395,
-2.5414562149999997
],
[
-2.9346208597277945,
4.1501806202500395,
0
]
] | [
62,
67,
80,
77
] | [
1,
1,
1
] | alex<agm001386128> | F-43m | Hg-Ho-Ir-Sm | 0.093593 | null | null | -0.000101 | 4,728.733745 | 86.255585 |
[
[
0,
0,
0
],
[
0,
0,
-3.993382425
],
[
-2.070100935,
1.1951733320719464,
-2.0833136673718875
],
[
-2.0701009350000006,
-1.1951733320719464,
-5.903451182628114
],
[
-2.070100935,
1.1951733320719464,
-5.883930810525877
],
[
-2.0701009... | [
[
-2.0701009350000006,
-3.5855199962158384,
-5.070284967919386e-16
],
[
-2.0701009349999997,
3.5855199962158384,
2.535142483959693e-16
],
[
0,
0,
-7.98676485
]
] | [
57,
65,
28,
28,
33,
33
] | [
1,
1,
1
] | alex<agm004744689> | P-3m1 | As-La-Ni-Tb | 0 | null | null | 0.000008 | 3,006.275576 | 86.820847 |
[
[
0,
0,
0
],
[
0,
0,
-3.443255705
],
[
-2.477807975,
1.4305631013664524,
-1.7076352876962484
],
[
-2.4778079750000006,
-1.4305631013664522,
-5.178876122303751
],
[
-2.4778079750000006,
-1.4305631013664522,
-6.723813514897018
],
[
-2... | [
[
-2.4778079750000006,
-4.291689304099355,
-6.06887921097107e-16
],
[
-2.4778079749999997,
4.291689304099355,
3.034439605485535e-16
],
[
0,
0,
-6.88651141
]
] | [
59,
31,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004878319> | P-3 | Ga-O-P-Pr | 0.078606 | null | null | 0.000093 | 2,369.646734 | 86.08696 |
[
[
3.0070255875000003,
1.7685170241916321,
1.6115341610164304
],
[
1.0023418624999996,
7.0270675711436645,
4.944736049077384
],
[
3.0070255875,
5.878299839313637,
-0.5681936148061827
],
[
1.0023418624999998,
2.91728475602166,
7.124463824899997
],
[
... | [
[
4.00936745,
0,
2.4550295071240427e-16
],
[
-5.38574226065357e-16,
8.795584595335297,
-2.936966619906187
],
[
0,
0,
9.49323683
]
] | [
19,
19,
66,
66,
4,
4,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005034374> | P2_1/m | Be-Dy-K-Se | 0.043777 | null | null | 0.000028 | 2,841.129676 | 23.650324 |
[
[
0,
6.270164712977737,
-2.220446049250313e-16
],
[
0,
0,
0
],
[
-2.171356418891998e-16,
3.1350823564888697,
2.220446049250313e-16
],
[
0,
9.405247069466606,
3.3306690738754696e-16
]
] | [
[
1.477891995901054,
4.180109808651825,
2.5597840250000004
],
[
1.477891995901054,
4.180109808651825,
-2.5597840249999995
],
[
-2.9557839918021074,
4.180109808651825,
0
]
] | [
58,
71,
13,
31
] | [
1,
1,
1
] | alex<agm001365454> | F-43m | Al-Ce-Ga-Lu | 0.064991 | null | null | 0.007015 | 2,759.220307 | 63.230198 |
[
[
-2.804895588722335,
-1.7188484423328985,
-8.991262007270983
],
[
-6.409189237446667,
-3.9275704171291808,
-6.228598125276342
],
[
-0.9570445982151141,
-0.5864798046313332,
-5.963884439371687
],
[
-4.561338246939446,
-2.7952017794276154,
-3.20122055737704... | [
[
-2.3000051500556347,
-4.514050221760514,
-1.5368698573240138
],
[
-5.066228685606147,
0,
-1.5368698573240138
],
[
0,
0,
-9.11874285
]
] | [
66,
66,
66,
66,
81,
81,
48,
79
] | [
1,
1,
1
] | alex<agm004795106> | R-3m | Au-Cd-Dy-Tl | 0.022584 | null | null | 0.000417 | 3,665.610601 | 51.690842 |
[
[
2.6606580326618543,
1.2350831308313743,
8.745982295352073
],
[
6.99841276845425,
4.669861745887958,
2.8863142675145563
],
[
5.47009434672418,
3.438478940062188,
8.90671503520559
],
[
3.631763689800521,
2.4232673389047705,
5.96288631059338
],
[
1.... | [
[
4.917250824484607,
0,
1.3182314094249348
],
[
2.125210204617298,
4.689892275797891,
1.5081015207322994
],
[
0,
0,
9.06237455
]
] | [
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-776433 | P1 | F-Li-O-V | 0.044076 | 0.9179 | null | 0.01917 | 2,269.18721 | 48.586708 |
[
[
-2.7465618482503977,
-0.46422167271555514,
-1.1576108609494287
],
[
-0.9245678741244351,
-1.6748334664399482,
-5.426779211309291
],
[
-0.6484302510297125,
-5.685728531381927,
-4.230352507743766
],
[
1.0707326042380283,
-2.5715045086301376,
-1.15761086094... | [
[
3.872750714836741,
-6.1499502040974825,
1.1827552856534025
],
[
-7.267742814116852,
0,
1.1827552856534025
],
[
0,
0,
-7.75347394
]
] | [
59,
59,
59,
59,
59,
59,
29,
29,
79,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004626879> | C2/m | Au-Br-Cu-Pr | 0.083445 | null | null | 0.000945 | 3,308.575908 | 47.5518 |
[
[
5.768336296528943,
1.9590242696626616,
-6.6496808018977696
],
[
2.8299564047480334,
4.653761724080155,
-4.552595574999999
],
[
5.768336296528943,
1.9590242696626616,
-2.455510348102228
],
[
-0.9145322588642957,
6.0228822391341135,
-2.455510348102228
],... | [
[
-3.5147759868875035,
6.782903450643084,
4.677823338928201e-16
],
[
7.63946526,
0,
4.677823338928201e-16
],
[
0,
0,
-9.10519115
]
] | [
55,
55,
55,
55,
55,
51,
16,
16,
16,
16,
9,
9
] | [
1,
1,
1
] | alex<agm004680474> | Amm2 | Cs-F-S-Sb | 0.033398 | null | null | 0.000021 | 4,814.898261 | 12.825578 |
[
[
-1.8069111358527963,
-3.566444656380496,
-6.78599599601219
],
[
2.107401669153534,
-6.468275422182531,
-1.975387541718371
],
[
1.307786472159874,
-4.475413290106387,
-4.97840500911381
],
[
0.18956346749621494,
-1.499518788166694,
-9.177978802085056
],
... | [
[
4.918086107531393,
0,
-1.30954167461748
],
[
0.39722909734362305,
-6.553419811606049,
1.4918249209010965
],
[
-4.918086107531393,
0,
-8.58035754538252
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
81,
81,
32
] | [
1,
1,
1
] | alex<agm003526152> | C2/m | Dy-Ge-Tl | 0.099878 | null | null | 0.000288 | 3,831.241503 | 50.412228 |
[
[
3.2510155125,
7.4590889446831365,
3.074050888281506
],
[
1.0836718374999996,
7.972203666385675,
-0.14235601941662718
],
[
1.0836718374999998,
3.759386526589971,
0.8166184604346644
],
[
1.0836718375,
1.496263189914833,
4.555816376101894
],
[
3.251... | [
[
4.33468735,
0,
2.6542304942410114e-16
],
[
-5.483571663436411e-16,
8.95535213459797,
-1.7373427056166
],
[
0,
0,
9.36720997
]
] | [
57,
57,
57,
57,
57,
57,
51,
51,
33,
33,
8,
8
] | [
1,
1,
1
] | alex<agm005038462> | P2_1/m | As-La-O-Sb | 0.050532 | null | null | 0.000802 | 3,199.077306 | 60.104427 |
[
[
-9.438576783735661e-17,
1.541436566087,
5.8935865660869995
],
[
-4.3859888885355877e-16,
7.162863433913,
2.8107134339130004
],
[
-1.7210656050810107e-16,
2.810713433913,
1.5414365660870002
],
[
-3.6087809618281425e-16,
5.8935865660869995,
7.162863433913
... | [
[
3.14626305,
0,
1.9265304867290445e-16
],
[
-5.329846566909153e-16,
8.7043,
5.329846566909153e-16
],
[
0,
0,
8.7043
]
] | [
72,
72,
72,
72,
4,
4,
4,
4,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
32,
32
] | [
1,
1,
1
] | alex<agm005130320> | P4/mbm | Be-Co-Ge-Hf | 0 | null | null | -0.000235 | 2,605.190157 | 187.163452 |
[
[
0,
0,
0
],
[
-5.660027494326269,
-3.4448840577314166,
-9.271176200227163
],
[
-1.8106597953051413,
-1.1020287567639069,
-3.357124913558519
],
[
-3.735343644815705,
-2.2734564072476617,
-6.314150556892841
],
[
-2.8352523798578066,
-1.725630437... | [
[
-2.3516412262098645,
-4.5469128144953235,
-1.4588739068928405
],
[
-5.119046063421545,
0,
-1.4588739068928405
],
[
0,
0,
-9.7105533
]
] | [
57,
39,
39,
12,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm004793025> | R-3m | La-Mg-Tl-Y | 0.069451 | null | null | 0.000342 | 5,367.922706 | 42.20285 |
[
[
0,
0,
-3.964246265
],
[
0,
0,
0
],
[
-2.0558734950000006,
-1.1869591157580672,
-6.069978163864339
],
[
-2.055873495,
1.186959115758067,
-1.8585143661356611
],
[
-2.0558734950000006,
-1.1869591157580672,
-1.8093714287417395
],
[
-2... | [
[
-2.0558734950000006,
-3.5608773472742006,
-5.035437790207264e-16
],
[
-2.0558734949999997,
3.5608773472742006,
2.517718895103632e-16
],
[
0,
0,
-7.92849253
]
] | [
11,
67,
29,
29,
33,
33
] | [
1,
1,
1
] | alex<agm002293264> | P-3m1 | As-Cu-Ho-Na | 0 | null | null | -0.000032 | 2,824.082477 | 63.793167 |
[
[
3.4704678074999995,
2.135619405852179,
2.448043075604076
],
[
1.1568226024999995,
6.893963014223802,
6.177489012350393
],
[
3.4704678074999995,
0.6831709822370126,
6.909619705289281
],
[
1.1568226024999995,
8.346411437838968,
1.7159123826651876
],
[
... | [
[
4.62729041,
0,
2.8333981946658716e-16
],
[
-5.52902460419163e-16,
9.02958242007598,
-2.7366053020455303
],
[
0,
0,
11.36213739
]
] | [
37,
37,
81,
81,
51,
51,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm005035898> | P2_1/m | Rb-Sb-Te-Tl | 0.075169 | null | null | 0.000067 | 5,200.08123 | 17.354746 |
[
[
0.8411110474999998,
3.7036743109436667,
5.046442985510891
],
[
2.5233331425,
1.947112788181406,
2.249987258214649
],
[
2.5233331424999994,
4.350506743846573,
-0.6495288020237717
],
[
0.8411110474999999,
1.3002803552785,
7.945959045749311
],
[
2.5... | [
[
3.36444419,
0,
2.0601279040967047e-16
],
[
-3.460109166803339e-16,
5.650787099125073,
-1.3347816062744602
],
[
0,
0,
8.63121185
]
] | [
62,
62,
68,
68,
73,
73,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm005040174> | P2_1/m | Er-N-Sm-Ta | 0.062919 | null | null | 0.000416 | 3,466.932877 | 192.342728 |
[
[
2.812424000392794,
3.5334117438497676,
3.6296161845387296
],
[
2.569569217527518e-10,
2.311478904835604,
1.9310768370206133
],
[
2.412486827011276e-10,
2.170172828512986,
5.425531677960615
],
[
2.8124240004085026,
3.6747178201723854,
0.13516134359872836
... | [
[
5.624848,
0,
3.4442260494451957e-16
],
[
-2.812423999350249,
5.844890648685372,
-1.8885935484406573
],
[
0,
0,
7.44928657
]
] | [
69,
69,
69,
69,
69,
75,
75,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-10094 | C2/m | O-Re-Tm | 0 | 0 | null | 0.004116 | 2,798.598285 | 130.422333 |
[
[
2.554988218190192,
0.44304989105964787,
6.128635613057166
],
[
0.2540593117048609,
5.184843575339362,
4.096783471404829
],
[
2.5377691643557854,
2.496069531391783,
3.9451781566923048
],
[
2.596587710909071,
2.752163546031872,
0.37391308934186185
],
[... | [
[
5.146620588435676,
0,
0.047306626745259824
],
[
0.19717681143280874,
5.327744333862214,
0.29500608270637696
],
[
0,
0,
7.58296122
]
] | [
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-776429 | P1 | F-Li-O-V | 0.051337 | 0.6233 | null | 0.019254 | 2,269.18721 | 54.682671 |
[
[
0,
0,
0
],
[
-3.4495060250000003,
1.9915732321049857,
-2.6694473069924034
],
[
-3.4495060250000007,
-1.9915732321049864,
-7.431686763007598
],
[
0,
0,
-5.050567035
],
[
-3.4495060250000007,
-1.9915732321049864,
-9.764730648465735
],
[... | [
[
-3.4495060250000007,
-5.974719696314958,
-8.448853024311519e-16
],
[
-3.449506024999999,
5.974719696314958,
4.2244265121557597e-16
],
[
0,
0,
-10.10113407
]
] | [
55,
13,
13,
46,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004881452> | P-3 | Al-Br-Cs-Pd | 0.091518 | null | null | 0.002352 | 6,555.84129 | 3.325144 |
[
[
8.638622254342394e-16,
3.065827192020512,
-5.587057705369598e-17
],
[
4.319311127171197e-16,
9.197481576061538,
6.661338147750939e-16
],
[
0,
0,
0
],
[
8.638622254342394e-16,
6.131654384041024,
4.440892098500626e-16
]
] | [
[
1.4452447982825443,
4.087769589360684,
2.5032374200000005
],
[
1.4452447982825443,
4.087769589360684,
-2.5032374199999996
],
[
-2.890489596565088,
4.087769589360684,
0
]
] | [
20,
59,
77,
46
] | [
1,
1,
1
] | alex<agm001384352> | F-43m | Ca-Ir-Pd-Pr | 0.097134 | null | null | -0.000017 | 6,458.12998 | 76.551033 |
[
[
4.364277495487926,
1.7687710952616296,
3.227523355917503
],
[
1.3136721845120742,
5.3063132857848885,
2.1595148677525087
],
[
0,
0,
0
],
[
-2.1661198602365127e-16,
3.537542190523259,
-1.068008488164994
],
[
3.0843089389223692,
5.3063132857848... | [
[
5.67794968,
0,
3.4767414506658694e-16
],
[
-4.3322397204730255e-16,
7.075084381046518,
-2.136016976329988
],
[
0,
0,
7.5230552
]
] | [
55,
55,
29,
29,
80,
80,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm004995477> | P2/c | Cs-Cu-Hg-S | 0.03246 | null | null | 0.000032 | 3,423.26201 | 13.922632 |
[
[
2.5405261424178976e-34,
1.9027892318691523e-16,
3.0336689261607295
],
[
2.6681602257572936e-16,
-4.357436327951816,
2.515767036919634
],
[
1.6087170727876246e-16,
-2.6272343567266505,
6.548368536919634
],
[
1.834135605,
1.687782878763096,
0.9744418993875... | [
[
3.66827121,
0,
2.246168297865444e-16
],
[
-4.2768772985449176e-16,
6.984670684678466,
4.032601500000002
],
[
4.2768772985449176e-16,
-6.984670684678466,
4.032601499999998
]
] | [
21,
21,
21,
21,
21,
21,
81,
81,
24
] | [
1,
1,
1
] | alex<agm002381530> | P-62m | Cr-Sc-Tl | 0.076879 | null | null | 0.003818 | 5,590.673174 | 63.736073 |
[
[
1.637851465,
1.637851465,
2.0057895540910532e-16
],
[
1.637851465,
1.637851465,
4.794036345
],
[
0,
0,
7.893764844353735
],
[
0,
0,
1.6943078456462657
]
] | [
[
3.27570293,
0,
2.0057895540910532e-16
],
[
-2.0057895540910532e-16,
3.27570293,
2.0057895540910532e-16
],
[
0,
0,
9.58807269
]
] | [
28,
80,
83,
83
] | [
1,
1,
1
] | alex<agm001135644> | P4/mmm | Bi-Hg-Ni | 0.091175 | null | null | 0.000017 | 4,751.068964 | 55.774357 |
[
[
-1.6220439231280368e-16,
2.648998755,
1.6220439231280368e-16
],
[
0,
0,
2.648998755
],
[
1.9496359249999997,
2.648998755,
2.6489987550000005
],
[
1.949635925,
0,
1.1938076975269695e-16
],
[
0,
0,
0
]
] | [
[
3.89927185,
0,
2.387615395053939e-16
],
[
-3.2440878462560736e-16,
5.29799751,
3.2440878462560736e-16
],
[
0,
0,
5.29799751
]
] | [
57,
57,
46,
44,
6
] | [
1,
1,
1
] | alex<agm001616910> | P4/mmm | C-La-Pd-Ru | 0.048477 | null | null | -0.000008 | 5,081.600873 | 98.933647 |
[
[
-1.0495322349407314e-16,
1.7140162137711161,
6.640384698771117
],
[
-4.983529161634915e-16,
8.138720756228885,
3.2123522712288843
],
[
-1.9669984633470914e-16,
3.212352271228884,
1.7140162137711163
],
[
-4.0660629332285543e-16,
6.640384698771116,
8.13872... | [
[
3.6124169,
0,
2.211967396885402e-16
],
[
-6.033061396575646e-16,
9.85273697,
6.033061396575646e-16
],
[
0,
0,
9.85273697
]
] | [
66,
66,
66,
66,
48,
48,
32,
32,
32,
32,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm005129810> | P4/mbm | Cd-Dy-Ge-Rh | 0 | null | null | -0.000053 | 5,054.4958 | 137.043945 |
[
[
1.0218292674999996,
6.1422439747146225,
3.5185668175773355
],
[
1.0218292674999996,
6.138537438519161,
-2.3939389702526754
],
[
3.0654878025,
1.4181039946526632,
3.116365506027287
],
[
3.0654878025,
1.4218105308481253,
9.028871293857298
],
[
3.06... | [
[
4.08731707,
0,
2.5027598834379193e-16
],
[
-4.62937797056292e-16,
7.560347969367286,
-3.240439676395378
],
[
0,
0,
9.875372
]
] | [
56,
56,
56,
56,
30,
30,
49,
49,
7,
7
] | [
1,
1,
1
] | alex<agm005002511> | P2_1/m | Ba-In-N-Zn | 0.059783 | null | null | 0.000255 | 2,116.968839 | 33.522713 |
[
[
4.440892098500626e-16,
5.559054190824316,
1.9212693991299548e-16
],
[
0,
0,
0
],
[
0,
2.779527095412157,
4.740068748620984e-16
],
[
3.3306690738754696e-16,
8.338581286236472,
5.551115123125783e-16
]
] | [
[
1.3102816384384566,
3.70603612721621,
2.2694743700000006
],
[
1.3102816384384566,
3.70603612721621,
-2.2694743699999997
],
[
-2.6205632768769127,
3.70603612721621,
0
]
] | [
21,
41,
75,
76
] | [
1,
1,
1
] | alex<agm001388713> | F-43m | Nb-Os-Re-Sc | 0.089875 | null | null | 0.000126 | 6,543.765275 | 217.6633 |
[
[
0.10038941205215252,
0.3365886209798664,
2.021669031130027
],
[
2.904531601864348,
2.5791303990201335,
6.0137687710725265
],
[
5.507894967572238,
5.494849419020134,
5.962530448754973
],
[
2.703752777760043,
3.252307640979866,
1.9704307088124728
],
[
... | [
[
5.608284379624391,
0,
-0.07987194011500032
],
[
-3.5707259650560575e-16,
5.83143804,
3.5707259650560575e-16
],
[
0,
0,
8.06407142
]
] | [
20,
20,
20,
20,
65,
65,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004969000> | P2_1/c | Ca-O-Rh-Tb | 0.030392 | null | null | 0.015123 | 3,388.588 | 134.553894 |
[
[
-3.169454419093148,
-1.920045388869748,
-3.6916868237128924
],
[
-0.3067478550878122,
-0.18582687328109831,
-6.548158411793992
],
[
-4.571715132527778,
-2.769530461317555,
-6.2089141546391815
],
[
-1.7508577711241966,
-1.0606640593290637,
-1.234567204838... | [
[
-1.7993724474025763,
-3.4440331632279726,
-1.0560579125742007
],
[
-3.8857567646322915,
0,
-1.0560579125742007
],
[
0,
0,
-7.67683465
]
] | [
62,
66,
31,
34
] | [
1,
1,
1
] | alex<agm005212913> | R3m | Dy-Ga-Se-Sm | 0.067942 | null | null | -0.000284 | 2,713.428001 | 56.450893 |
[
[
2.072331269611432,
6.652426068778934,
10.58140305022821
],
[
2.0596508841623587e-8,
2.1709272379649853,
8.908944761898033
],
[
-1.4646967586025115e-10,
2.5076141336473765,
4.0721298452282095
],
[
2.0723312488684527,
6.989112964461326,
2.3996715568980322
... | [
[
4.14466254,
0,
2.5378738565784694e-16
],
[
-2.0723312705350376,
9.16004020242631,
5.750655456631007e-16
],
[
0,
0,
13.01854641
]
] | [
56,
56,
56,
56,
69,
69,
81,
81,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm005159407> | Cmc2_1 | Ba-S-Tl-Tm | 0.020212 | null | null | 0.000064 | 3,271.344944 | 34.127571 |
[
[
0,
0,
0
],
[
-7.171894592434128,
-2.4558946939517914,
-1.1845288236390212
],
[
-4.7812630617411855,
-2.4558946939517914,
0.14743317928373512
],
[
-6.2173448744535955,
0,
-0.08641625310019374
],
[
-3.3451812483181778,
0,
0.3812826114091681... | [
[
-4.781263061385887,
0,
-2.6639240058455127
],
[
-2.3906315314035433,
-4.911789387903583,
-1.331962002664261
],
[
-4.781263061385887,
0,
2.958790364154487
]
] | [
20,
73,
73,
13,
13,
13,
13
] | [
1,
1,
1
] | alex<agm002367609> | I4/mmm | Al-Ca-Ta | 0.064345 | null | null | -0.000045 | 3,736.307359 | 100.698975 |
[
[
1.430732475,
1.430732475,
3.536084835
],
[
0,
0,
5.179925455146977
],
[
0,
0,
1.8922442148530234
],
[
1.430732475,
1.430732475,
1.7521419459449204e-16
]
] | [
[
2.86146495,
0,
1.7521419459449204e-16
],
[
-1.7521419459449204e-16,
2.86146495,
1.7521419459449204e-16
],
[
0,
0,
7.07216967
]
] | [
13,
77,
77,
74
] | [
1,
1,
1
] | alex<agm003191200> | P4/mmm | Al-Ir-W | 0.004374 | null | null | -0.000017 | 7,250.403665 | 271.689758 |
[
[
2.0361525,
0,
5.459971254384043
],
[
-1.2467838208504406e-16,
2.0361525,
3.015938715615957
],
[
-1.2467838208504406e-16,
2.0361525,
7.322740974529276
],
[
2.0361525,
0,
1.1531689954707243
],
[
2.0361525,
2.0361525,
2.493567641700881e-16
... | [
[
4.072305,
0,
2.493567641700881e-16
],
[
-2.493567641700881e-16,
4.072305,
2.493567641700881e-16
],
[
0,
0,
8.47590997
]
] | [
57,
57,
15,
15,
44,
44,
8,
8
] | [
1,
1,
1
] | alex<agm005202403> | P4/nmm | La-O-P-Ru | 0 | null | null | -0.00007 | 4,896.809695 | 114.059769 |
[
[
2.220446049250313e-16,
6.423780224579129,
4.440892098500626e-16
],
[
0,
0,
0
],
[
1.0789158028827401e-16,
3.2118901122895664,
-3.602667708602069e-16
],
[
4.440892098500626e-16,
9.635670336868694,
6.661338147750939e-16
]
] | [
[
1.5140995192173154,
4.28252014971942,
2.6224972950000005
],
[
1.5140995192173154,
4.28252014971942,
-2.6224972949999996
],
[
-3.0281990384346305,
4.28252014971942,
0
]
] | [
20,
62,
49,
29
] | [
1,
1,
1
] | alex<agm001345827> | F-43m | Ca-Cu-In-Sm | 0.093297 | null | null | 0.000008 | 2,307.980976 | 44.05468 |
[
[
-0.9153232032731905,
-0.5521674002496515,
-5.090886599364158
],
[
-2.2031580335159924,
-1.3290519013998772,
-8.745340817628637
],
[
-4.631231926839338,
-2.793783970352193,
-8.002948887149243
],
[
-3.5993501450532603,
-2.1713027759759367,
-3.3615208723265... | [
[
-1.9538035950158443,
-3.7058498316675155,
-1.086429412203026
],
[
-4.189352153109952,
0,
-1.086429412203026
],
[
0,
0,
-8.62044056
]
] | [
57,
59,
78,
53
] | [
1,
1,
1
] | alex<agm005197624> | R3m | I-La-Pr-Pt | 0.010047 | null | null | 0.00091 | 5,403.486102 | 41.431068 |
[
[
0,
0,
0
],
[
2.600285465,
-1.619880016070734,
2.80571449
],
[
2.600285465,
1.6198800160707336,
2.8057144900000006
],
[
3.7358118735615347,
-0.1734149430176391,
2.043090905730074
],
[
3.7358118735615355,
-1.6826611550943817,
4.439701781085... | [
[
5.20057093,
0,
3.184431271581637e-16
],
[
-2.9756713150256806e-16,
4.859640048212201,
2.805714490000001
],
[
2.9756713150256806e-16,
-4.859640048212201,
2.8057144899999993
]
] | [
63,
52,
82,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002301870> | P312 | Eu-O-Pb-Te | 0 | null | null | 0.04753 | 2,603.619944 | 71.29805 |
[
[
-3.4342981808356994,
-2.4172577595718474,
-3.008614127317781
],
[
-0.9585283084500167,
-0.6746676815366865,
-4.414087666393874
],
[
-6.0854376279862095,
-4.283283090771293,
-7.436126792563909
],
[
-0.8565876883553999,
-2.3778854354866072,
-1.459307876161... | [
[
-1.764809277199553,
-4.9235591699146175,
-2.9285750851647836
],
[
-5.2302950857996455,
0,
-2.9285750851647836
],
[
0,
0,
-6.01788797
]
] | [
3,
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | mp-759621 | Cm | F-Li-O-V | 0.083126 | 1.1505 | null | null | 2,434.590128 | 123.696228 |
[
[
-0.4309929316335594,
-3.405315201129538,
-3.9126920458787624
],
[
-3.0374015056153185,
-1.5987866086028462,
-0.4594427808787622
],
[
0,
0,
-3.453249265
],
[
0,
0,
0
],
[
-3.0009887761279894,
-1.6240246459571774,
-3.912692045878762
],
... | [
[
1.875691358816224,
-5.004101809732385,
1.267181851621238
],
[
-5.3440857960651025,
0,
1.267181851621238
],
[
0,
0,
-6.90649853
]
] | [
66,
66,
13,
13,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005063656> | C2/c | Al-Dy-Ge-O | 0.060078 | null | null | 0.000044 | 2,071.6388 | 131.273315 |
[
[
0,
0,
0
],
[
5.394265516217184e-16,
6.064266055314062,
-5.497216570837792e-16
],
[
1.1102230246251565e-16,
3.0321330276570313,
2.220446049250313e-16
],
[
5.551115123125783e-16,
9.096399082971093,
5.820607884565735e-17
]
] | [
[
1.4293612168773229,
4.042844036876041,
2.4757262500000006
],
[
1.4293612168773229,
4.042844036876041,
-2.4757262499999997
],
[
-2.8587224337546453,
4.042844036876041,
0
]
] | [
20,
62,
78,
45
] | [
1,
1,
1
] | alex<agm001303511> | F-43m | Ca-Pt-Rh-Sm | 0.096129 | null | null | 0.000001 | 6,397.554192 | 86.001717 |
[
[
0,
0,
6.191419298287538
],
[
0,
0,
2.63537891546332
],
[
1.732538385,
1.732538385,
0.8571397959323033
],
[
1.732538385,
1.732538385,
4.278505130583239
]
] | [
[
3.46507677,
0,
2.1217475875901748e-16
],
[
-2.1217475875901748e-16,
3.46507677,
2.1217475875901748e-16
],
[
0,
0,
7.24208134
]
] | [
20,
62,
78,
45
] | [
1,
1,
1
] | alex<agm005182017> | P4mm | Ca-Pt-Rh-Sm | 0.07747 | null | null | -0.000024 | 6,397.554192 | 80.788574 |
[
[
0.5374793633526856,
0,
1.5438526506117685
],
[
3.185012956155451,
2.21871672,
3.160701542012133
],
[
2.118251692203596,
2.21871672,
0.09654246709325126
],
[
1.5964213814098742,
0,
4.58555182733217
]
] | [
[
3.71858085586328,
0,
-1.2945927138659121
],
[
-2.7171443293627146e-16,
4.43743344,
2.7171443293627146e-16
],
[
0,
0,
5.98791176
]
] | [
20,
62,
31,
46
] | [
1,
1,
1
] | alex<agm005207742> | Amm2 | Ca-Ga-Pd-Sm | 0.074086 | null | null | 0.000515 | 4,119.326152 | 57.60833 |
[
[
2.135808175,
0,
2.613210699664878
],
[
-1.30780532255325e-16,
2.135808175,
8.195322330335122
],
[
2.135808175,
2.135808175,
5.404266515
],
[
0,
0,
5.404266515
],
[
2.135808175,
0,
9.38760058417073
],
[
-1.30780532255325e-16,
2... | [
[
4.27161635,
0,
2.6156106451065e-16
],
[
-2.6156106451065e-16,
4.27161635,
2.6156106451065e-16
],
[
0,
0,
10.80853303
]
] | [
57,
57,
50,
33,
33,
33,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm004527292> | P-4m2 | As-Ir-La-Sn | 0.043307 | null | null | 0.000438 | 6,435.912559 | 132.124435 |
[
[
0.6520845914468398,
0.7036719875848739,
2.365495717333952
],
[
3.620680470213355,
-0.7036719875848753,
4.7954986746904735
],
[
4.110418699341633,
2.1302051489652216,
6.572068308036639
],
[
2.1363825308300974,
-8.216532025017558e-34,
-0.5889260839877872
... | [
[
0.3246927246371246,
-4.260410297930443,
1.1778521679755745
],
[
4.272765061660195,
0,
-1.1778521679755745
],
[
-0.3246927246371246,
4.260410297930443,
7.160994392024426
]
] | [
62,
62,
21,
21,
32,
32,
6
] | [
1,
1,
1
] | alex<agm004539809> | I4/mmm | C-Ge-Sc-Sm | 0 | null | null | -0.000003 | 2,954.564719 | 78.410011 |
[
[
1.93772671,
0,
2.335648249924814
],
[
-1.1865154065119157e-16,
1.93772671,
7.275938460075186
],
[
1.9377267099999997,
1.93772671,
4.805793355
],
[
1.9377267099999997,
1.93772671,
2.3730308130238314e-16
],
[
0,
0,
0
],
[
1.93772671... | [
[
3.87545342,
0,
2.3730308130238314e-16
],
[
-2.3730308130238314e-16,
3.87545342,
2.3730308130238314e-16
],
[
0,
0,
9.61158671
]
] | [
67,
67,
30,
28,
28,
28,
28,
15,
15,
15
] | [
1,
1,
1
] | alex<agm004531271> | P-4m2 | Ho-Ni-P-Zn | 0.035947 | null | null | -0.00001 | 2,728.908503 | 136.907562 |
[
[
-1.632061754381486e-16,
2.665359115,
1.632061754381486e-16
],
[
0,
0,
2.665359115
],
[
2.234778415,
0,
1.3684071163666726e-16
],
[
2.234778415,
2.665359115,
2.6653591150000002
],
[
0,
0,
0
]
] | [
[
4.46955683,
0,
2.7368142327333453e-16
],
[
-3.264123508762972e-16,
5.33071823,
3.264123508762972e-16
],
[
0,
0,
5.33071823
]
] | [
57,
57,
21,
80,
6
] | [
1,
1,
1
] | alex<agm001613866> | P4/mmm | C-Hg-La-Sc | 0.072007 | null | null | 0.000004 | 3,159.231189 | 70.692863 |
[
[
3.067395668098002,
1.8475003814768491,
0.04501057312583974
],
[
0.18474786870848056,
3.35307952812656,
1.2553935928658757
],
[
2.957080589891769,
4.8412840273929705,
0.8901551994716915
],
[
1.5683320786628279,
0.8266659372314706,
3.4738323949942207
],
... | [
[
5.714770649780213,
0,
-0.8215269421842747
],
[
-0.9829092579783402,
5.685421264169233,
-1.0448133020627344
],
[
0,
0,
6.17363151
]
] | [
3,
3,
3,
23,
23,
23,
23,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-765451 | P1 | F-Li-O-V | 0.085824 | null | null | 0.029912 | 2,330.441976 | 94.864525 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.