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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
0,
0,
0
],
[
-4.428439187423261,
-2.073021275123524,
-3.3241575092851066
],
[
-0.19568697461938492,
-4.8857136072210645,
-3.3241575092851066
],
[
-3.246589573159131,
-4.8857136072210645,
0.7402517693505775
],
[
-4.144694190786636,
-1.64602033... | [
[
2.7445331134272246,
-6.531733944958005,
2.0601525667080947
],
[
-7.084914278833245,
0,
2.0601525667080947
],
[
0,
0,
-7.37836289
]
] | [
81,
33,
33,
33,
33,
33,
33,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003686073> | R-3m | As-Pd-Tl | 0.073061 | null | null | 0 | 6,910.023466 | 108.754097 |
[
[
3.5294853699999997,
2.083983249351917,
3.60956487
],
[
3.5294853700000006,
-2.083983249351917,
3.6095648700000003
],
[
1.764742685,
4.677539168308688e-49,
1.080593240251978e-16
],
[
1.7647426849999999,
2.363837066901892,
1.3647619668962234
],
[
1... | [
[
3.52948537,
0,
2.161186480503956e-16
],
[
-3.8282151236932874e-16,
6.2519497480557495,
3.609564870000001
],
[
3.8282151236932874e-16,
-6.2519497480557495,
3.6095648699999985
]
] | [
81,
81,
33,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003501572> | P-62m | As-Pd-Tl | 0.054395 | null | null | -0.000033 | 7,186.571351 | 104.343071 |
[
[
-1.4474550949204532e-16,
2.3638735608148043,
4.0943491100000005
],
[
1.447455094920454e-16,
-2.3638735608148056,
4.09434911
],
[
2.7503160000000006,
-2.3638735608148056,
4.09434911
],
[
2.7503159999999998,
2.3638735608148047,
4.09434911
],
[
1.37... | [
[
5.500632,
0,
3.3681656860437524e-16
],
[
-4.34236528476136e-16,
7.091620682444414,
4.094349110000001
],
[
4.34236528476136e-16,
-7.091620682444414,
4.094349109999998
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
29,
29,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1188172 | P6_3/mcm | Cu-Sb-Ti | 0 | 0 | null | 0.000277 | 2,574.539669 | 114.396072 |
[
[
-2.765930249730755,
-5.260884209621131,
0.13564370545580365
],
[
-9.364236805772133,
-2.132083968186591,
3.476801584263516
],
[
-7.278100233474744,
-3.696484088903861,
1.3848312467313642
],
[
-4.852066822028145,
-3.696484088903861,
2.227614042987956
],... | [
[
-4.852066822893197,
0,
-1.6855655925131852
],
[
-2.4260334097164944,
-7.392968177807722,
-0.8427827952543098
],
[
-4.852066822893197,
0,
6.1407936774868155
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-13020 | I4/mcm | Cu-Sb-Ti | 0.00257 | 0 | null | null | 2,390.594087 | 118.541306 |
[
[
1.9039745,
0,
2.1727826111560002
],
[
-1.165848138541591e-16,
1.9039745,
6.101143388844
],
[
0,
0,
0
],
[
1.9039745,
0,
5.171633994152
],
[
-1.165848138541591e-16,
1.9039745,
3.102292005848
],
[
1.9039744999999997,
1.9039745,
... | [
[
3.807949,
0,
2.331696277083182e-16
],
[
-2.331696277083182e-16,
3.807949,
2.331696277083182e-16
],
[
0,
0,
8.273926
]
] | [
22,
22,
29,
51,
51,
51
] | [
1,
1,
1
] | mp-505804 | P-4m2 | Cu-Sb-Ti | 0.058405 | 0 | 91.87807 | 0.00196 | 2,841.32492 | 90.534134 |
[
[
0,
0,
0
],
[
2.915371984008046,
1.0097327968502217,
1.554106521057343
],
[
1.1648928752563594,
-1.0097327968502217,
3.0915474249999995
],
[
1.2751260038955137,
1.4710675949375258,
3.384098743081795
],
[
2.805138855368892,
-1.4710675949375263,... | [
[
0.5793066417610321,
-4.038931187400887,
1.5374409039426566
],
[
4.080264859264406,
0,
-1.5374409039426566
],
[
-0.5793066417610321,
4.038931187400887,
4.645653946057343
]
] | [
60,
28,
28,
51,
51
] | [
1,
1,
1
] | mp-568161 | I4/mmm | Nd-Ni-Sb | 0.052826 | 0 | null | -0 | 2,872.813714 | 92.241753 |
[
[
-8.744888278124002,
0,
4.339412916457805
],
[
-6.149528980523364,
-2.506731909075522,
1.4829519503857842
],
[
-3.23286435753819,
-2.15204107544667,
1.0729642887743327
],
[
-9.457259954747967,
-2.8614227427043737,
1.7418120049777766
],
[
-5.828223... | [
[
-5.19071859530107,
0,
-2.0059534079908063
],
[
-2.5953592977503286,
-5.013463818151044,
-1.00297670413025
],
[
-5.19071859530107,
0,
5.712921932009194
]
] | [
3,
3,
3,
3,
3,
3,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003286987> | Fdd2 | Li-Mg | 0.04485 | null | null | -0.000204 | 1,609.632307 | 24.562475 |
[
[
1.845561405608091,
3.0809557940420045,
6.11616460967581
],
[
2.9363222810898426,
4.738829660864999,
1.7381625876017113
],
[
3.4015845382370893,
1.8445042917314425,
3.2800351215723444
],
[
0.19702456608187133,
3.9184640233045793,
0.6529366567740317
],
... | [
[
4.421099995440599,
0,
-1.334073220367439
],
[
0.005935473179558531,
5.383117560364081,
0.019670075110162395
],
[
0,
0,
7.99276839
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
29,
51,
51
] | [
1,
1,
1
] | alex<agm003526428> | C2/m | Cu-Sb-Ti | 0.059946 | null | null | 0.000134 | 2,226.058185 | 109.800621 |
[
[
1.1935216371562654,
1.2887405599114095,
4.3121790373848645
],
[
2.5877301528214685,
-1.2887405599114095,
1.995343136079574
],
[
3.926086490861126,
-1.8850700740880888,
-0.5232859982677805
],
[
1.890625894988867,
2.3943568093950074e-35,
-0.523285998267780... | [
[
0.2896694017667842,
-3.7701401481761776,
1.046571996535561
],
[
3.781251789977734,
0,
-1.046571996535561
],
[
-0.2896694017667842,
3.7701401481761776,
6.307522173464439
]
] | [
22,
22,
29,
29,
51,
51
] | [
1,
1,
1
] | alex<agm002027426> | I4/mmm | Cu-Sb-Ti | 0.091411 | null | null | 0.000019 | 2,512.684573 | 104.854698 |
[
[
1.9539656249999997,
1.953965625,
2.0186900700000003
],
[
-1.1964588741501038e-16,
1.953965625,
1.1964588741501038e-16
],
[
1.953965625,
0,
1.1964588741501038e-16
],
[
0,
0,
2.01869007
]
] | [
[
3.90793125,
0,
2.3929177483002075e-16
],
[
-2.3929177483002075e-16,
3.90793125,
2.3929177483002075e-16
],
[
0,
0,
4.03738014
]
] | [
22,
29,
29,
51
] | [
1,
1,
1
] | alex<agm001228697> | P4/mmm | Cu-Sb-Ti | 0.087084 | null | null | 0.000037 | 2,295.805796 | 120.171989 |
[
[
1.5094923130220948e-16,
-2.4651880265772337,
1.4232769707474082
],
[
-1.5094923130220948e-16,
2.465188026577234,
1.4232769707474089
],
[
2.33864009451826e-32,
1.956360811561769e-16,
4.386773748505183
],
[
1.7742757850000002,
-4.758734034191988,
2.7474563... | [
[
3.54855157,
0,
2.1728611609049073e-16
],
[
-3.835744120798615e-16,
6.264245533437411,
3.6166638450000015
],
[
3.835744120798615e-16,
-6.264245533437411,
3.616663844999999
]
] | [
22,
22,
22,
22,
22,
22,
29,
51,
51
] | [
1,
1,
1
] | alex<agm002245108> | P-62m | Cu-Sb-Ti | 0.020514 | null | null | 0.000012 | 2,326.913446 | 110.95507 |
[
[
3.3806884999999998,
2.554424431815669,
4.424392900000001
],
[
3.3806885000000007,
-2.55442443181567,
4.4243929
],
[
6.761377,
-2.5544244318156695,
4.4243929
],
[
6.761377,
2.5544244318156695,
4.424392900000001
],
[
5.0710327500000005,
-8.4897... | [
[
6.761377,
0,
4.1401493504392673e-16
],
[
-4.692401556130283e-16,
7.6632732954470075,
4.424392900000002
],
[
4.692401556130283e-16,
-7.6632732954470075,
4.424392899999998
]
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
32,
32,
32,
32,
32,
32,
6,
6
] | [
1,
1,
1
] | mp-1188470 | P6_3/mcm | C-Ge-Nd | 0.04619 | 0 | null | 0.000054 | 2,792.230792 | 74.711288 |
[
[
5.677006675147297,
0.28326336224936144,
2.191201006519154
],
[
5.5302853884667025,
2.3761175068285687,
5.14238469214284
],
[
5.340475292585248,
2.7576064398931113,
8.938954141508937
],
[
4.286817283506134,
6.805611474893112,
5.204197590712458
],
[
... | [
[
6.418195050727588,
0,
-0.23078873851907067
],
[
-4.957376409045119e-16,
8.09601007,
4.957376409045119e-16
],
[
0,
0,
9.65955656
]
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
32,
32,
32,
32,
6,
6
] | [
1,
1,
1
] | alex<agm003492318> | P2_1/c | C-Ge-Nd | 0.033344 | null | null | 0.00013 | 2,899.007297 | 58.844822 |
[
[
0,
0,
0
],
[
7.524937328137735e-16,
5.892733028389609,
1.15526457122872e-15
],
[
7.278313483899374e-16,
2.9463665141948034,
2.220446049250313e-16
],
[
6.661338147750939e-16,
8.839099542584412,
8.881784197001252e-16
]
] | [
[
1.3889304946987442,
3.9284886855930723,
2.4056981850000003
],
[
1.3889304946987442,
3.9284886855930723,
-2.4056981849999994
],
[
-2.777860989397488,
3.9284886855930723,
0
]
] | [
65,
71,
77,
77
] | [
1,
1,
1
] | mp-1187371 | Fm-3m | Ir-Lu-Tb | 0.023 | 0 | null | -0 | 6,311.080869 | 155.095337 |
[
[
1.65928988,
1.65928988,
3.556081305
],
[
1.65928988,
1.65928988,
2.0320440403995958e-16
],
[
0,
0,
5.395795929032128
],
[
0,
0,
1.716366680967872
]
] | [
[
3.31857976,
0,
2.0320440403995958e-16
],
[
-2.0320440403995958e-16,
3.31857976,
2.0320440403995958e-16
],
[
0,
0,
7.11216261
]
] | [
65,
71,
77,
77
] | [
1,
1,
1
] | alex<agm001143754> | P4/mmm | Ir-Lu-Tb | 0.027172 | null | null | -0 | 6,311.080869 | 147.669174 |
[
[
4.440892098500626e-16,
5.8436498712324,
-8.563373787850985e-17
],
[
0,
0,
0
],
[
1.1102230246251565e-16,
2.9218249356161996,
2.220446049250313e-16
]
] | [
[
1.3773614836094417,
3.8957665808215993,
2.3856600700000006
],
[
1.3773614836094417,
3.8957665808215993,
-2.3856600699999997
],
[
-2.754722967218883,
3.8957665808215993,
0
]
] | [
65,
71,
77
] | [
1,
1,
1
] | alex<agm001239813> | F-43m | Ir-Lu-Tb | 0.027391 | null | null | 0.000041 | 5,292.133632 | 111.007286 |
[
[
-5.311073251131796,
-4.981407062721788,
10.428191726712214
],
[
-1.4713179896688124,
-0.12614090792924923,
2.6086233272561254
],
[
-2.949280158175471,
-2.4276330773962687,
9.334754587319834
],
[
-2.3551489140220876,
-2.6799148932547685,
3.862525891670691... | [
[
-2.955924337206101,
0,
-0.32093085004436767
],
[
-1.4779621683891346,
-5.107547970651037,
-0.16046542483156898
],
[
-2.955924337206101,
0,
13.452262519955632
]
] | [
3,
3,
3,
3,
3,
3,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm005507586> | Fdd2 | Li-Mg | 0.067741 | null | null | 0.000057 | 1,609.632307 | 25.585112 |
[
[
-4.535224858160806e-16,
3.272102048442611,
5.186584645100467e-16
],
[
0,
0,
0
],
[
-0.7718789565293946,
5.99840325246809,
1.3369336234353644
],
[
1.5437579593333004,
5.998403252468089,
2.671660176299312e-8
],
[
-0.7718789565293946,
5.99840325... | [
[
1.5424836981254422,
4.3628027312568145,
2.6716601350000007
],
[
1.5424836981254422,
4.3628027312568145,
-2.6716601349999998
],
[
-3.084967396250884,
4.3628027312568145,
0
]
] | [
65,
71,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm001185654> | F-43m | Ir-Lu-Tb | 0.013904 | null | null | 0.000002 | 7,283.327774 | 207.930542 |
[
[
0,
0,
0
],
[
0,
4.98653097282277,
6.701020566213244e-16
],
[
4.440892098500626e-16,
7.479796459234155,
6.661338147750939e-16
],
[
0,
2.4932654864113846,
4.480574516962931e-16
]
] | [
[
1.1753366218265777,
3.324353981881847,
2.0357427450000003
],
[
1.1753366218265777,
3.324353981881847,
-2.0357427449999994
],
[
-2.350673243653155,
3.324353981881847,
0
]
] | [
30,
31,
27,
27
] | [
1,
1,
1
] | mp-1187911 | Fm-3m | Co-Ga-Zn | 0 | 0 | null | 0.000174 | 2,272.702419 | 174.732117 |
[
[
1.44025549,
1.44025549,
2.882632805
],
[
1.44025549,
1.44025549,
1.7638042757829027e-16
],
[
0,
0,
4.357031454623303
],
[
0,
0,
1.408234155376698
]
] | [
[
2.88051098,
0,
1.7638042757829027e-16
],
[
-1.7638042757829027e-16,
2.88051098,
1.7638042757829027e-16
],
[
0,
0,
5.76526561
]
] | [
30,
31,
27,
27
] | [
1,
1,
1
] | alex<agm001136098> | P4/mmm | Co-Ga-Zn | 0.011981 | null | null | 0.000202 | 2,272.702419 | 171.885147 |
[
[
3.120614845,
0,
1.910825490650482e-16
],
[
4.0917402940307515,
4.145672984406911,
1.5301699150320003
],
[
2.190015070927297,
2.1593508771193886,
1.530169915032
],
[
5.2771551785671775,
0.9577331245658449,
4.77134765811
],
[
1.00460018639087,
... | [
[
6.24122969,
0,
3.821650981300964e-16
],
[
0.04052567495804746,
6.3050238615262995,
3.8607933933479055e-16
],
[
0,
0,
6.410646
]
] | [
30,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-1215609 | P2/m | Co-Ga-Zn | 0 | 0.2398 | null | 0.000028 | 2,076.563192 | 105.488655 |
[
[
1.8991417599999998,
3.942049511312676,
0.9570933113126764
],
[
1.8991417599999998,
5.012819088687324,
3.9420495113126766
],
[
1.8991417599999998,
2.027862888687324,
5.0128190886873245
],
[
1.89914176,
0.957093311312676,
2.027862888687324
],
[
0,
... | [
[
3.79828352,
0,
2.325777877511071e-16
],
[
-3.655517055925047e-16,
5.9699124,
3.655517055925047e-16
],
[
0,
0,
5.9699124
]
] | [
30,
30,
30,
30,
31,
31,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002970480> | P4/mbm | Co-Ga-Zn | 0.087434 | null | null | -0.000161 | 2,196.139835 | 132.949158 |
[
[
0,
0,
0
],
[
0,
0,
2.849219744692663
],
[
0,
0,
5.757756356403006
],
[
0,
0,
8.661064703596995
],
[
0,
0,
11.569601315307338
],
[
1.441831695,
1.441831695,
1.4911930321430942
],
[
1.441831695,
1.441831695,
... | [
[
2.88366339,
0,
1.765734570190953e-16
],
[
-1.765734570190953e-16,
2.88366339,
1.765734570190953e-16
],
[
0,
0,
14.41882106
]
] | [
30,
31,
31,
31,
31,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm003644437> | P4/mmm | Co-Ga-Zn | 0 | null | null | 0.000168 | 2,268.927956 | 170.509109 |
[
[
0,
0,
0
],
[
-2.0782700942631864e-16,
3.394072635,
3.394072635
],
[
1.4337186399999997,
4.433826965348062,
1.0397543303480619
],
[
1.4337186399999995,
5.748390939651938,
4.433826965348063
],
[
1.4337186399999997,
2.3543183046519385,
5.748... | [
[
2.86743728,
0,
1.7557989433538962e-16
],
[
-4.156540188526373e-16,
6.78814527,
4.156540188526373e-16
],
[
0,
0,
6.78814527
]
] | [
30,
30,
31,
31,
31,
31,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002970534> | P4/mbm | Co-Ga-Zn | 0.07825 | null | null | -0.000004 | 2,192.181166 | 143.886642 |
[
[
1.44254752,
1.44254752,
4.317662965
],
[
1.44254752,
1.44254752,
7.172171761654215
],
[
1.44254752,
1.44254752,
1.4631541683457856
],
[
0,
0,
0
],
[
0,
0,
5.801089510852313
],
[
0,
0,
2.834236419147688
]
] | [
[
2.88509504,
0,
1.7666112029859526e-16
],
[
-1.7666112029859526e-16,
2.88509504,
1.7666112029859526e-16
],
[
0,
0,
8.63532593
]
] | [
30,
31,
31,
27,
27,
27
] | [
1,
1,
1
] | alex<agm003437867> | P4/mmm | Co-Ga-Zn | 0 | null | null | 0 | 2,270.596014 | 169.761353 |
[
[
-0.21120122649014028,
3.1495643794573884,
2.9336432572301496
],
[
2.178957290151415,
3.1747432188122273,
1.9412110415536228
],
[
0.20633085296590387,
2.049397885311487,
0.5248141047308486
],
[
4.058649483269676,
0.5184527601863509,
3.1439942165115617
]... | [
[
4.802891973069932,
0,
-1.9286462433528697
],
[
-2.835135909408657,
6.324307598269615,
-0.12840761786335836
],
[
0,
0,
6.93190816
]
] | [
30,
30,
31,
31,
31,
31,
31,
31,
31,
31,
27,
27
] | [
1,
1,
1
] | alex<agm003755194> | Ibam | Co-Ga-Zn | 0.074751 | null | null | 0.000034 | 2,016.921027 | 78.540459 |
[
[
0,
0,
0
],
[
-3.6804999776838754,
-2.1464470252986416,
-8.196854153758634
],
[
-0.9164800489578444,
-0.5344860444936225,
-5.2509790579958535
],
[
-2.7563304682958663,
-1.607476530440517,
-3.008279464921866
],
[
-1.8406495583458533,
-1.0734565... | [
[
-1.516737418894595,
-2.680933069792264,
-0.3795472008772433
],
[
-3.080242607747125,
0,
-0.3795472008772433
],
[
0,
0,
-12.68873881
]
] | [
3,
3,
3,
12,
12
] | [
1,
1,
1
] | alex<agm003195061> | R-3m | Li-Mg | 0.05539 | null | null | 0.000001 | 1,609.632307 | 24.581787 |
[
[
0.7976918952400124,
0.40707542970071237,
6.764729639446592
],
[
3.9166840687285305,
7.94465113293091,
-1.1148495540941101
],
[
6.343079144537854,
2.4487808484553115,
-0.7959211033264946
],
[
-1.6287031805693106,
5.902945714176311,
6.445801188678977
],
... | [
[
7.375689774873406,
0,
-0.8392694177903237
],
[
-2.6613138109048626,
8.351726562631622,
-2.800136426857194
],
[
0,
0,
9.28928593
]
] | [
65,
65,
65,
65,
65,
65,
44,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-1188684 | P-1 | Br-Ru-Tb | 0 | 0 | null | null | 5,005.198903 | 8.807007 |
[
[
0,
0,
-1.9713495502251455
],
[
0,
0,
-9.294706949774854
],
[
-2.0868849500000004,
1.2048635876502787,
-0.09800770659497038
],
[
-2.0868849500000004,
-1.204863587650279,
-11.16804879340503
],
[
-2.0868849500000004,
-1.204863587650279,
-3.7... | [
[
-2.0868849500000004,
-3.6145907629508365,
-5.111393948412568e-16
],
[
-2.0868849499999995,
3.6145907629508365,
2.555696974206284e-16
],
[
0,
0,
-11.2660565
]
] | [
65,
65,
44,
44,
35,
35
] | [
1,
1,
1
] | alex<agm002385551> | P-3m1 | Br-Ru-Tb | 0.042275 | null | null | 0.000006 | 5,450.337534 | 33.73822 |
[
[
-4.145119303099021,
-2.4983678946204892,
-7.911235016451253
],
[
-1.5217426011860495,
-0.9171926259968195,
-2.091553614861751
],
[
0,
0,
0
],
[
-2.833430952142535,
-1.7077802603086543,
-5.001394315656502
]
] | [
[
-1.8041087393338777,
-3.4155605206173085,
-0.9915687206565025
],
[
-3.8627531649511924,
0,
-0.9915687206565025
],
[
0,
0,
-8.01965119
]
] | [
65,
65,
44,
35
] | [
1,
1,
1
] | alex<agm001929911> | R-3m | Br-Ru-Tb | 0.089456 | null | null | -0.000001 | 4,701.520935 | 55.440159 |
[
[
1.2073490854939926,
0.5523750169431996,
2.8523352623823106
],
[
3.948188990482446,
3.0770207450606932,
7.103419198148572
],
[
2.577769037988219,
1.8146978810019463,
4.977877230265442
],
[
0,
0,
0
]
] | [
[
3.5175751379799096,
0,
0.7892395677520622
],
[
1.6379629379965288,
3.6293957620038926,
0.9331251327788207
],
[
0,
0,
8.23338976
]
] | [
65,
65,
44,
35
] | [
1,
1,
1
] | alex<agm003632192> | C2/m | Br-Ru-Tb | 0.07101 | null | null | -0.000066 | 4,701.520935 | 56.576065 |
[
[
1.4154235276509615,
-0.6708917492733645,
-2.9169518694579026
],
[
0.08557533616847025,
-1.837265305032567,
0.39726226241971446
],
[
-0.9978446482169127,
-7.773699074158811,
-4.632247353257059
],
[
0.33200354326557857,
-6.607325518399609,
-7.9464614851346... | [
[
3.906282069508681,
0,
-0.8414625628540048
],
[
0.4175788794340482,
-8.444590823432176,
1.9385067872850388
],
[
-3.906282069508681,
0,
-8.646243447145995
]
] | [
65,
65,
65,
65,
44,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003655664> | C2/m | Br-Ru-Tb | 0.017878 | null | null | 0.002254 | 4,871.921357 | 10.246096 |
[
[
6.46086886,
2.4404063561697287,
4.2269078
],
[
3.23043443,
-2.4404063561697296,
4.2269078
],
[
6.46086886,
-2.4404063561697296,
4.2269078
],
[
3.2304344299999994,
2.4404063561697287,
4.226907800000001
],
[
4.845651645,
-9.180373043967513e-16,... | [
[
6.46086886,
0,
3.9561411845549045e-16
],
[
-4.482953749053172e-16,
7.321219068509188,
4.226907800000002
],
[
4.482953749053172e-16,
-7.321219068509188,
4.226907799999998
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
14,
14,
14,
14,
14,
14,
6,
6
] | [
1,
1,
1
] | mp-1188646 | P6_3/mcm | C-Si-Y | 0.042848 | 0 | null | null | 2,304.079289 | 86.583809 |
[
[
2.4039024,
0,
2.4039024
],
[
-1.4719656898113204e-16,
2.4039024,
2.4039024
],
[
2.4039024,
2.4039024,
2.9439313796226407e-16
],
[
0,
0,
0
],
[
2.4039024,
2.4039024,
2.4039024000000007
]
] | [
[
4.8078048,
0,
2.9439313796226407e-16
],
[
-2.9439313796226407e-16,
4.8078048,
2.9439313796226407e-16
],
[
0,
0,
4.8078048
]
] | [
39,
39,
39,
14,
6
] | [
1,
1,
1
] | alex<agm002140585> | Pm-3m | C-Si-Y | 0.057374 | null | null | 0.000004 | 2,371.329447 | 78.426903 |
[
[
0.615138642877422,
1.0532575706287393,
5.003009362158572
],
[
4.84697386044104,
4.599800958293857,
4.60301342694462
],
[
1.6940604493049325,
1.4203890688334797,
1.2625264567646652
],
[
3.7680520540135296,
4.232669460089117,
8.343496332338526
],
[
... | [
[
3.8002747969757253,
0,
1.0961684502476539
],
[
1.661837706342737,
5.653058528922596,
1.3742385488555382
],
[
0,
0,
7.13561579
]
] | [
39,
39,
39,
39,
14,
14,
6
] | [
1,
1,
1
] | alex<agm003446448> | C2/m | C-Si-Y | 0.068025 | null | null | 0.000473 | 2,328.422169 | 65.11676 |
[
[
5.551417182575578,
0.2603518369274988,
2.2461419255093955
],
[
5.350119756946471,
2.286345956983281,
5.087153109058582
],
[
5.176700964914021,
2.5826170679193168,
8.719442604041664
],
[
4.231669879627283,
6.414455897919317,
5.12824617035313
],
[
... | [
[
6.2722472296942025,
0,
-0.10112461373680512
],
[
-4.692649158008039e-16,
7.66367766,
4.692649158008039e-16
],
[
0,
0,
9.33291713
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
14,
14,
14,
14,
6,
6
] | [
1,
1,
1
] | alex<agm003492974> | P2_1/c | C-Si-Y | 0.024682 | null | null | 0.008547 | 2,408.688737 | 65.910332 |
[
[
-2.220446049250313e-16,
3.202546356077711,
8.026619702228287e-16
],
[
2.220446049250313e-16,
9.607639068233137,
1.178487102349024e-15
],
[
5.572641970758859e-16,
6.405092712155423,
1.690840389922954e-15
],
[
0,
0,
0
]
] | [
[
1.5096948302978788,
4.270061808103616,
2.6148681500000004
],
[
1.5096948302978788,
4.270061808103616,
-2.6148681499999995
],
[
-3.019389660595757,
4.270061808103616,
0
]
] | [
70,
70,
48,
31
] | [
1,
1,
1
] | mp-1187885 | Fm-3m | Cd-Ga-Yb | 0.000436 | 0 | null | 0.00007 | 2,558.538774 | 37.616905 |
[
[
-0.9310451932353928,
0.8224447722091262,
-6.603726012269145
],
[
-2.2787805535469867,
-0.8224447722091265,
-4.55334151948671
],
[
-1.829090854766704,
-0.2736056562084415,
-1.3637785268238645
],
[
-1.3807348920156748,
0.27360565620844157,
-9.7932890049319... | [
[
-3.209825746782379,
0,
0.45254646824414224
],
[
-0.09055910836837598,
3.807015257501013,
-0.6423184756568516
],
[
0.09055910836837598,
-3.807015257501013,
-10.967295524343148
]
] | [
3,
3,
3,
3,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003289849> | Immm | Li-Mg | 0.042626 | null | null | 0.00008 | 1,520.339892 | 25.917881 |
[
[
0,
0,
0
],
[
2.9800403081513656,
1.0278268745674108,
1.8721259827676682
],
[
1.1624474272107965,
-1.0278268745674106,
3.321778425000001
],
[
2.7028721275145853,
-1.6281705615250144,
1.080097663970708
],
[
1.4396156078475761,
1.628170561525014... | [
[
0.5073019734810243,
-4.111307498269643,
1.4496524422323323
],
[
4.142487735362162,
0,
-1.4496524422323323
],
[
-0.5073019734810243,
4.111307498269643,
5.193904407767668
]
] | [
70,
48,
48,
31,
31
] | [
1,
1,
1
] | alex<agm002276862> | I4/mmm | Cd-Ga-Yb | 0.053523 | null | null | -0.000299 | 2,035.406136 | 53.563385 |
[
[
2.317004631418736,
-2.0332913172713374,
3.8336807050363477e-17
],
[
1.158502315709368,
-1.016645658635668,
3.2145713999999996
],
[
3.7152095572938895,
-0.4399892353675953,
3.8796897562120827
],
[
0.3861132946540529,
0.439989235367596,
1.071373563548998
... | [
[
0.5326864108895287,
-4.066582634542675,
1.4780794802389194
],
[
4.101322851947943,
0,
-1.4780794802389194
],
[
-0.5326864108895287,
4.066582634542675,
4.951063319761081
]
] | [
70,
48,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002372552> | I-4m2 | Cd-Ga-Yb | 0.036736 | null | null | -0 | 2,183.452752 | 52.960136 |
[
[
2.0316693350000006,
-3.9704819211299958,
2.2923588059769444
],
[
2.031669335,
-1.9817637723059518e-17,
3.1394282680461094
],
[
2.0316693349999997,
-2.7188246334869133,
6.154431745976945
],
[
1.0671685800660201e-16,
-1.7428185511267804,
1.00621675964172
... | [
[
4.06333867,
0,
2.488077348033582e-16
],
[
-4.0960189303135037e-16,
6.689306554616909,
3.8620729400000013
],
[
4.0960189303135037e-16,
-6.689306554616909,
3.8620729399999987
]
] | [
70,
70,
70,
48,
48,
48,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002213455> | P-62m | Cd-Ga-Yb | 0.047684 | null | null | -0.000139 | 2,294.740043 | 50.09819 |
[
[
1.8094050416091887e-16,
5.028023112277301,
-1.1697718349523608e-17
],
[
0,
0,
0
],
[
-4.1104100764112434e-17,
2.514011556138651,
-5.848859174761804e-18
],
[
4.440892098500626e-16,
7.542034668415951,
5.492626531378164e-16
]
] | [
[
1.1851164128846563,
3.352015408184867,
2.0526818400000004
],
[
1.1851164128846563,
3.352015408184867,
-2.0526818399999995
],
[
-2.370232825769312,
3.352015408184867,
0
]
] | [
30,
31,
28,
28
] | [
1,
1,
1
] | mp-1187935 | Fm-3m | Ga-Ni-Zn | 0 | 0 | null | null | 1,714.054558 | 156.667435 |
[
[
1.6326997749999999,
1.939006155,
1.9390061550000002
],
[
1.632699775,
0,
9.997402767111769e-17
],
[
-1.1872988406238833e-16,
1.939006155,
1.1872988406238833e-16
],
[
0,
0,
1.939006155
]
] | [
[
3.26539955,
0,
1.9994805534223538e-16
],
[
-2.3745976812477666e-16,
3.87801231,
2.3745976812477666e-16
],
[
0,
0,
3.87801231
]
] | [
30,
31,
28,
28
] | [
1,
1,
1
] | alex<agm001217943> | P4/mmm | Ga-Ni-Zn | 0.004567 | null | null | 0.001197 | 1,714.054558 | 153.108398 |
[
[
1.47739725,
1.47739725,
2.800840455
],
[
1.47739725,
1.47739725,
1.8092898132816021e-16
],
[
0,
0,
4.2373677732424415
],
[
0,
0,
1.3643131367575583
]
] | [
[
2.9547945,
0,
1.8092898132816021e-16
],
[
-1.8092898132816021e-16,
2.9547945,
1.8092898132816021e-16
],
[
0,
0,
5.60168091
]
] | [
30,
31,
28,
28
] | [
1,
1,
1
] | alex<agm001134831> | P4/mmm | Ga-Ni-Zn | 0.013071 | null | null | -0 | 1,714.054558 | 148.581482 |
[
[
-2.04763619,
1.1822033054989198,
-1.7195943416473884
],
[
-2.0476361900000004,
-1.18220330549892,
-3.300413918352611
],
[
0,
0,
0
],
[
0,
0,
-2.51000413
],
[
-2.04763619,
1.1822033054989198,
-4.22493182176881
],
[
-2.0476361900000... | [
[
-2.0476361900000004,
-3.546609916496759,
-5.015262211803563e-16
],
[
-2.0476361899999995,
3.546609916496759,
2.5076311059017814e-16
],
[
0,
0,
-5.02000826
]
] | [
30,
30,
31,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003434267> | P-3m1 | Ga-Ni-Zn | 0.003315 | null | null | -0.000059 | 1,712.989603 | 148.198425 |
[
[
1.601448477327375,
4.196333873469758,
5.954433615
],
[
-0.0017214538665353593,
0.4087456622717357,
1.984811205
],
[
1.5891387358550706,
1.2617383738705548,
4.30834060436662
],
[
1.5891387358550706,
1.2617383738705548,
7.60052662563338
],
[
0.0105... | [
[
3.17335714,
0,
1.9431208320261996e-16
],
[
-1.57363011653916,
4.605079535741494,
2.9798873647931784e-16
],
[
0,
0,
7.93924482
]
] | [
30,
30,
31,
31,
31,
31,
28,
28
] | [
1,
1,
1
] | alex<agm002296048> | Cmcm | Ga-Ni-Zn | 0.062758 | null | null | 0.00002 | 1,810.918222 | 106.079964 |
[
[
1.0086581825,
0.5316433751836102,
1.8044893486867388
],
[
3.0259745474999997,
4.025559861672019,
1.593558862146413
],
[
1.0086581824999998,
2.7652011866700525,
3.397252706733429
],
[
3.0259745475,
1.792002050185577,
0.0007955040997222717
],
[
1.0... | [
[
4.03463273,
0,
2.470500029264824e-16
],
[
-2.790482178539602e-16,
4.55720323685563,
-1.5760786991668485
],
[
0,
0,
4.97412691
]
] | [
30,
30,
31,
31,
28,
28
] | [
1,
1,
1
] | alex<agm002114631> | P2_1/m | Ga-Ni-Zn | 0.067485 | null | null | -0.000008 | 1,778.873667 | 98.576157 |
[
[
0,
0,
0
],
[
-3.4147040564200752,
-1.9664327808344175,
-0.404163370273404
],
[
-2.3796798652108877,
0,
3.1734722638745416
],
[
-3.7243355392125883,
1.9664327808344175,
0.008752221897029067
],
[
-2.3796798652108877,
0,
0.6945152788745417
... | [
[
-2.0700483824183746,
-3.932865561668835,
-2.1973572982958913
],
[
0,
0,
4.95791397
],
[
-2.6893113480034008,
3.932865561668835,
-1.3715261139550252
]
] | [
30,
30,
31,
31,
28,
28
] | [
1,
1,
1
] | alex<agm002114648> | Imma | Ga-Ni-Zn | 0.041194 | null | null | -0.000001 | 1,778.873667 | 100.673058 |
[
[
0.43702520900610786,
0.44349422985666115,
3.6053996404388258
],
[
1.362450332721401,
1.3826178640870683,
11.240033250539488
],
[
1.8716032744526532,
-1.3826178640870683,
1.9042156184469865
],
[
2.7970283981679462,
-0.44349422985666137,
9.53884922854765
... | [
[
0.04751747688368609,
-3.233704504661197,
0.3920128410135242
],
[
3.234053607174054,
0,
-0.3920128410135242
],
[
-0.04751747688368609,
3.233704504661197,
13.144248868986475
]
] | [
3,
3,
3,
3,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003258730> | I4/mmm | Li-Mg | 0.052153 | null | null | -0 | 1,520.339892 | 26.148941 |
[
[
-3.770438345725018e-17,
0.6157593109050126,
3.955905789475402
],
[
2.09542657,
1.6399922536524112,
2.3121063680577256
],
[
2.0954265699999994,
3.9809988121713316,
-1.4449932777573518
],
[
-1.715450159376838e-16,
2.8015427151260286,
0.44792499209444364
... | [
[
4.19085314,
0,
2.566157441798817e-16
],
[
-2.7176112780910444e-16,
4.438196025144803,
-2.1787526432232167
],
[
0,
0,
4.9441427
]
] | [
30,
30,
31,
31,
28,
28
] | [
1,
1,
1
] | alex<agm002114649> | Amm2 | Ga-Ni-Zn | 0.039713 | null | null | -0.000018 | 1,778.873667 | 99.145317 |
[
[
1.847459135,
1.8052428946349648,
-0.617352696673065
],
[
1.8474591349999998,
2.9709948854509767,
2.79150171076134
],
[
1.847459135,
0.639490903818953,
1.8699787858925303
],
[
0,
0,
0
],
[
-7.590292551737801e-17,
1.2395888442320608,
3.6247... | [
[
3.69491827,
0,
2.2624849162332877e-16
],
[
-2.2107849325982122e-16,
3.6104857892699296,
-1.2347053933461303
],
[
0,
0,
5.89618589
]
] | [
30,
30,
30,
31,
28,
28
] | [
1,
1,
1
] | alex<agm003422752> | Cmmm | Ga-Ni-Zn | 0.090218 | null | null | -0 | 1,777.510534 | 125.797714 |
[
[
-2.06232328,
-1.1906829008640325,
-3.311705812669431
],
[
-2.0623232800000006,
1.190682900864032,
-4.488424777330569
],
[
-2.0623232800000006,
1.190682900864032,
-7.211771107669431
],
[
-2.06232328,
-1.1906829008640325,
-0.5883594823305696
],
[
0... | [
[
-2.0623232800000006,
-3.5720487025920966,
-5.051235207318142e-16
],
[
-2.0623232799999998,
3.5720487025920966,
2.525617603659071e-16
],
[
0,
0,
-7.80013059
]
] | [
30,
30,
30,
30,
31,
31,
28,
28
] | [
1,
1,
1
] | alex<agm002377993> | P6_3/mmc | Ga-Ni-Zn | 0.031355 | null | null | 0 | 1,809.435785 | 106.67469 |
[
[
2.789824864207914,
-0.9107193635215975,
3.0363659245579457
],
[
0.8442187517241283,
0.9107193635215974,
3.0688075956094107
],
[
0,
0,
0
],
[
1.679512907759007,
1.8118111250867088,
6.105173520167357
],
[
3.082690609170015,
1.3653677825890207,
... | [
[
0.2750178004140285,
-3.6236222501734177,
0.9997132998326431
],
[
3.6340436159320424,
0,
-0.9997132998326431
],
[
-0.2750178004140285,
3.6236222501734177,
6.105173520167357
]
] | [
30,
30,
31,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003479648> | I4/mmm | Ga-Ni-Zn | 0.011817 | null | null | 0.000138 | 1,662.378747 | 163.343048 |
[
[
1.0340174144708871,
0.8159322802314615,
2.4259288313035916
],
[
4.036093099402951,
2.937551044645689,
5.1166528814842085
],
[
0,
0,
0
],
[
2.0185298456197467,
1.4371641737135612,
4.966399588390108
],
[
3.0515806682540916,
2.3163191511635888,
... | [
[
3.5094522098489698,
0,
1.5167834719564435
],
[
1.5606583040248685,
3.75348332487715,
1.2074154008313571
],
[
0,
0,
4.81838284
]
] | [
30,
30,
31,
28,
28
] | [
1,
1,
1
] | alex<agm002377564> | C2/m | Ga-Ni-Zn | 0.051689 | null | null | -0 | 1,752.310116 | 136.062912 |
[
[
-1.6056849496499275,
-1.8110860806876383,
-6.571108062875116
],
[
1.4876818609993858,
-0.8202645570414447,
-2.7086907468047734
],
[
1.2552932437944302,
-4.104228840228023,
-3.6597183411388783
],
[
0.28609404388265025,
-3.5915412825892674,
-7.626070977696... | [
[
4.056894359312961,
0,
-0.9913235689903679
],
[
0.2859406382039162,
-4.8571870646829325,
1.1701839828233591
],
[
-4.056894359312961,
0,
-7.805559101009632
]
] | [
30,
30,
30,
30,
30,
30,
30,
30,
31,
31,
28
] | [
1,
1,
1
] | alex<agm003530335> | C2/m | Ga-Ni-Zn | 0.078704 | null | null | -0.000008 | 1,867.45635 | 80.844299 |
[
[
1.470163995,
1.470163995,
4.273359315
],
[
1.470163995,
1.470163995,
7.106751749255322
],
[
1.470163995,
1.470163995,
1.4399668807446795
],
[
0,
0,
0
],
[
0,
0,
5.741481565460303
],
[
0,
0,
2.805237064539698
]
] | [
[
2.94032799,
0,
1.8004316306984355e-16
],
[
-1.8004316306984355e-16,
2.94032799,
1.8004316306984355e-16
],
[
0,
0,
8.54671863
]
] | [
30,
31,
31,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003420170> | P4/mmm | Ga-Ni-Zn | 0.018126 | null | null | -0.000097 | 1,715.107451 | 145.833633 |
[
[
0,
0,
0
],
[
-2.0472967652303823e-16,
3.34348935,
3.34348935
],
[
1.4978631349999998,
4.365263105719136,
1.0217737557191373
],
[
1.4978631349999996,
5.665204944280863,
4.365263105719137
],
[
1.4978631349999998,
2.321715594280863,
5.665204... | [
[
2.99572627,
0,
1.83435329383857e-16
],
[
-4.0945935304607646e-16,
6.6869787,
4.0945935304607646e-16
],
[
0,
0,
6.6869787
]
] | [
30,
30,
31,
31,
31,
31,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003004705> | P4/mbm | Ga-Ni-Zn | 0.066327 | null | null | 0 | 1,754.287308 | 135.571991 |
[
[
-8.734626625386072,
-4.5216240328073605,
3.0272790509629135
],
[
-2.8247255742321107,
-0.6708514799504426,
0.750048749316147
],
[
-8.476201982103563,
-1.7907178143376763,
2.256189007483574
],
[
-3.08315021751462,
-3.401757698420127,
1.5211387927954858
... | [
[
-4.627000352147474,
0,
-1.5507019012364378
],
[
-2.3053514953232352,
-5.192475512757803,
-0.7996650672480646
],
[
-4.627000352147474,
0,
6.127694768763562
]
] | [
3,
3,
3,
3,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003292106> | C2/m | Li-Mg | 0.04933 | null | null | -0.000217 | 1,188.10696 | 27.250605 |
[
[
3.996042130271027,
3.0941970932725087,
3.209943982744985
],
[
1.411990802557036,
3.0366534208153215,
3.1638302466248867
],
[
5.075266966010984,
0.804209901973101,
2.2038164665490148
],
[
0.21473968976956118,
4.102122099117153,
0.8391284498921615
],
[... | [
[
5.163512558076404,
0,
0.2068231072738089
],
[
0.24452037475165916,
6.130850514087831,
0.031147312096063254
],
[
0,
0,
6.13580381
]
] | [
30,
30,
31,
31,
31,
31,
31,
31,
31,
31,
28,
28
] | [
1,
1,
1
] | alex<agm003755165> | C2/c | Ga-Ni-Zn | 0.036632 | null | null | 0.00006 | 1,841.742714 | 80.315804 |
[
[
0,
0,
3.2989086826037117
],
[
0,
0,
6.571508741072255
],
[
0,
0,
9.841222948927745
],
[
0,
0,
13.11382300739629
],
[
0,
0,
0
],
[
1.36012146,
1.36012146,
1.6059623256601836
],
[
1.36012146,
1.36012146,
4.92... | [
[
2.72024292,
0,
1.665668392440625e-16
],
[
-1.665668392440625e-16,
2.72024292,
1.665668392440625e-16
],
[
0,
0,
16.41273169
]
] | [
30,
30,
30,
30,
31,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003644218> | P4/mmm | Ga-Ni-Zn | 0.005547 | null | null | -0.00039 | 1,712.128817 | 147.711975 |
[
[
3.469172536393971,
1.2064787732105842,
5.142745554032136
],
[
2.796224855085422,
7.038776777557466,
8.396886962267285
],
[
3.8500393217218156,
4.77860381649203,
3.3010059733973125
],
[
2.415358069757577,
3.46665173427602,
10.238626542902109
],
[
... | [
[
4.346787550359491,
0,
0.8989039601869241
],
[
1.9186098411199015,
8.24525555076805,
1.6814986461124974
],
[
0,
0,
10.95922991
]
] | [
60,
60,
60,
60,
12,
12,
12,
12,
12,
12,
12,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-1188412 | C2/m | Ge-Mg-Nd | 0 | 0 | null | -0.000001 | 2,283.934475 | 54.49371 |
[
[
2.2039795,
1.3342875898320001,
5.071704089832
],
[
2.2039794999999995,
6.140545410168,
2.4031289101680007
],
[
2.2039795,
2.4031289101680002,
1.3342875898320004
],
[
2.2039794999999995,
5.071704089832,
6.140545410168
],
[
-2.288507576902752e-16,
... | [
[
4.407959,
0,
2.699096440061384e-16
],
[
-4.577015153805504e-16,
7.474833,
4.577015153805504e-16
],
[
0,
0,
7.474833
]
] | [
60,
60,
60,
60,
12,
12,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-977548 | P4/mbm | Ge-Mg-Nd | 0 | 0 | null | -0 | 2,581.455851 | 62.234455 |
[
[
1.0912682674999998,
3.8885669006404857,
2.8603142368049737
],
[
3.2738048025,
3.510551139359514,
5.960816393195028
],
[
1.0912682675,
0.189007880640486,
1.5502510781950272
],
[
3.2738048024999995,
7.210110159359514,
7.270879551804974
],
[
3.27380... | [
[
4.36507307,
0,
2.6728363816099056e-16
],
[
-4.530653112099719e-16,
7.39911804,
4.530653112099719e-16
],
[
0,
0,
8.82113063
]
] | [
60,
60,
60,
60,
12,
12,
12,
12,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002286944> | Pnma | Ge-Mg-Nd | 0.08403 | null | null | -0.000001 | 2,476.579169 | 55.920235 |
[
[
1.29986125,
0.062471376884,
4.145247827624001
],
[
1.2998612499999997,
2.897440376884,
5.127836172376
],
[
3.8995837499999992,
5.607466623116,
2.0368081723760008
],
[
3.8995837499999997,
2.772497623116,
1.0542198276240005
],
[
0.4184721313799999,... | [
[
5.199445,
0,
3.183741838296355e-16
],
[
-3.471835711531973e-16,
5.669938,
3.471835711531973e-16
],
[
0,
0,
6.182056
]
] | [
21,
21,
21,
21,
5,
5,
5,
5,
5,
5,
5,
5,
76,
76,
76,
76
] | [
1,
1,
1
] | mp-1189073 | Pnma | B-Os-Sc | 0 | 0 | null | -0 | 7,696.953683 | 208.318909 |
[
[
0,
0,
0
],
[
-2.220446049250313e-16,
6.423662024451589,
1.02638987087289e-15
],
[
-1.1102230246251565e-16,
3.2118310122257947,
5.13194935436445e-16
],
[
0,
9.635493036677385,
9.572841452865077e-16
]
] | [
[
1.5140716591800756,
4.282441349634394,
2.6224490400000002
],
[
1.5140716591800756,
4.282441349634394,
-2.6224490399999993
],
[
-3.0281433183601507,
4.282441349634394,
0
]
] | [
62,
63,
30,
30
] | [
1,
1,
1
] | mp-1187071 | Fm-3m | Eu-Sm-Zn | 0.030591 | 0 | null | 0.069768 | 2,737.574745 | 50.257507 |
[
[
1.8528389749999998,
2.6192894,
2.6192894000000004
],
[
1.852838975,
0,
1.1345366600346063e-16
],
[
-1.6038521898752957e-16,
2.6192894,
1.6038521898752957e-16
],
[
0,
0,
2.6192894
]
] | [
[
3.70567795,
0,
2.2690733200692127e-16
],
[
-3.2077043797505914e-16,
5.2385788,
3.2077043797505914e-16
],
[
0,
0,
5.2385788
]
] | [
62,
63,
30,
30
] | [
1,
1,
1
] | alex<agm001232039> | P4/mmm | Eu-Sm-Zn | 0.018916 | null | null | 0.069402 | 2,737.574745 | 49.640232 |
[
[
7.612897089926003e-16,
3.030399554384685,
-3.273627757760521e-16
],
[
2.220446049250313e-16,
9.091198663154055,
6.661338147750939e-16
],
[
0,
0,
0
],
[
2.220446049250313e-16,
6.06079910876937,
4.440892098500626e-16
]
] | [
[
1.4285440497400683,
4.04053273917958,
2.4743108750000005
],
[
1.4285440497400683,
4.04053273917958,
-2.4743108749999996
],
[
-2.857088099480136,
4.04053273917958,
0
]
] | [
65,
65,
30,
77
] | [
1,
1,
1
] | mp-1187270 | Fm-3m | Ir-Tb-Zn | 0.037814 | 0 | null | 0.000145 | 4,967.688475 | 107.172165 |
[
[
-2.756957714857936,
-2.5214043091646356,
4.484551723889378
],
[
-2.2135431896475386,
-4.982593835774944,
2.0841029033218432
],
[
-3.870376824426283,
-2.5214043091646356,
1.7090282692722052
],
[
-4.413791349692638,
-4.982593835774944,
4.109477089628178
... | [
[
-3.313667269613447,
0,
-0.7501492683108385
],
[
-1.6568336348920278,
-7.50399814493958,
-0.3750746344779393
],
[
-3.313667269613447,
0,
6.943729261689161
]
] | [
3,
3,
3,
3,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003268368> | I4/mmm | Li-Mg | 0.08008 | null | null | -0 | 1,188.10696 | 47.578743 |
[
[
0,
0,
5.410769892142777
],
[
0,
0,
1.697763707857224
],
[
1.74818379,
1.74818379,
3.5542668
],
[
1.74818379,
1.74818379,
2.1409076827447887e-16
]
] | [
[
3.49636758,
0,
2.1409076827447887e-16
],
[
-2.1409076827447887e-16,
3.49636758,
2.1409076827447887e-16
],
[
0,
0,
7.1085336
]
] | [
65,
65,
30,
77
] | [
1,
1,
1
] | alex<agm001138775> | P4/mmm | Ir-Tb-Zn | 0.06432 | null | null | 0 | 4,967.688475 | 97.265388 |
[
[
1.1014593475,
1.2235504083264652,
2.7849687485641685
],
[
3.3043780425,
4.084510085567305,
2.909326122781157
],
[
3.3043780425,
4.195397167864104,
-1.1388387911678064
],
[
1.1014593475,
1.1126633260296663,
6.833133662513132
],
[
1.101459347499999... | [
[
4.40583739,
0,
2.6977973286136147e-16
],
[
-3.250249646763762e-16,
5.3080604938937705,
-2.056845758654675
],
[
0,
0,
7.75114063
]
] | [
65,
65,
65,
65,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003626594> | P2_1/m | Ir-Tb-Zn | 0 | null | null | 0.000051 | 4,967.688475 | 96.231552 |
[
[
-1.508069866429406e-16,
2.462864995,
1.508069866429406e-16
],
[
0,
0,
2.462864995
],
[
1.761956415,
0,
1.0788871419334477e-16
],
[
1.7619564149999998,
2.462864995,
2.4628649950000003
]
] | [
[
3.52391283,
0,
2.1577742838668954e-16
],
[
-3.016139732858812e-16,
4.92572999,
3.016139732858812e-16
],
[
0,
0,
4.92572999
]
] | [
65,
65,
30,
77
] | [
1,
1,
1
] | alex<agm001233147> | P4/mmm | Ir-Tb-Zn | 0.063744 | null | null | 0.000077 | 4,967.688475 | 106.538673 |
[
[
0.5739408544045488,
0.9640106060671176,
4.472921374151196
],
[
5.0484624344170355,
4.062392088029629,
4.427903300821379
],
[
3.895986313776978,
3.7345409511850134,
7.542683620247109
],
[
1.726416975044606,
1.2918617429117334,
1.3581410547254664
],
[
... | [
[
3.921064202544682,
0,
1.450803072016477
],
[
1.7013390862769022,
5.026402694096746,
1.4259186929560983
],
[
0,
0,
6.02410291
]
] | [
65,
65,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003603668> | C2/m | Ir-Tb-Zn | 0.05799 | null | null | -0 | 5,680.260993 | 125.909172 |
[
[
1.9968291850000006,
-2.5090604813239943,
1.4486067443054604
],
[
1.996829185,
-6.415862572951223e-17,
4.2288869813890795
],
[
1.9968291849999997,
2.509060481323994,
1.4486067443054609
],
[
3.9936583700000003,
-4.667459835977027,
2.6947591927331023
],
... | [
[
3.99365837,
0,
2.445410469854268e-16
],
[
-3.7788828535739607e-16,
6.171384036940228,
3.5630502350000013
],
[
3.7788828535739607e-16,
-6.171384036940228,
3.5630502349999986
]
] | [
65,
65,
65,
30,
30,
30,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002325121> | P-62m | Ir-Tb-Zn | 0 | null | null | 0 | 5,680.260993 | 120.982193 |
[
[
3.537255973572566,
1.3996335398459598,
0.7555072740285022
],
[
0.8252859032845602,
3.4182232063789315,
1.8087826018930193
],
[
-0.8252859042599646,
3.4182232063789315,
5.761165741893018
],
[
1.8866841660280418,
1.3996335398459598,
4.707890414028502
],
... | [
[
5.42394014,
0,
3.3212054656089236e-16
],
[
-2.711970070687398,
4.817856746224892,
-1.388093264078479
],
[
0,
0,
7.90476628
]
] | [
65,
65,
65,
65,
30,
30,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003391982> | C2/c | Ir-Tb-Zn | 0.022813 | null | null | 0 | 6,002.3466 | 123.301773 |
[
[
3.9813358504803795,
3.372830751179712,
6.832454162536815
],
[
1.165353207210538,
1.4231771080411542,
2.6719724999881795
],
[
0,
0,
0
],
[
2.2799803885082435,
1.2950060041670919,
5.467652670379514
],
[
2.8667086691826738,
3.501001855053775,
... | [
[
3.8710957948066427,
0,
1.5873333040479018
],
[
1.2755932628842745,
4.796007859220866,
2.403125488477093
],
[
0,
0,
5.51396787
]
] | [
65,
65,
30,
77,
77
] | [
1,
1,
1
] | alex<agm002360328> | Immm | Ir-Tb-Zn | 0 | null | null | 0.000074 | 6,002.3466 | 125.705009 |
[
[
0.6131634573023645,
1.6987210874144354,
7.386702284632251
],
[
3.5968631698516234,
1.3911446419250741,
2.1753329319043786
],
[
5.0755063418424875,
3.531450359875332,
4.962495444124946
],
[
2.091806629293228,
3.8390268053646937,
10.173864796852818
],
... | [
[
3.8691929128737104,
0,
0.7280528541787599
],
[
1.8194768862711415,
5.230171447289767,
0.9758224345784376
],
[
0,
0,
10.64532244
]
] | [
65,
65,
65,
65,
30,
30,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003391981> | C2/m | Ir-Tb-Zn | 0.038448 | null | null | 0.000341 | 4,654.599205 | 93.497169 |
[
[
5.551115123125783e-16,
9.42032302359493,
7.771561172376096e-16
],
[
0.7466937169986804,
6.808207539822442,
1.2933114555341718
],
[
1.4802609467066738e-8,
4.696238818653922,
2.5638872270530327e-8
],
[
-1.493387389589532,
6.808207539822443,
2.5638872825641... | [
[
1.4802609535448306,
4.186810232708858,
2.5638871800000005
],
[
1.4802609535448306,
4.186810232708858,
-2.5638871799999996
],
[
-2.9605219070896607,
4.186810232708858,
0
]
] | [
65,
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm001188172> | F-43m | Ir-Tb-Zn | 0 | null | null | 0 | 4,469.72659 | 120.24305 |
[
[
2.117617484326213,
0.769332799123379,
1.7937443900000003
],
[
0.01636193316387819,
4.145597424194419,
5.381233170000001
],
[
2.1346383808687874,
3.5662591167417466,
3.1913411207160323
],
[
-0.0006589633786968505,
1.3486711065760515,
3.9836364392839685
... | [
[
4.23303945,
0,
2.591989106553486e-16
],
[
-2.0990600325099087,
4.914930223317798,
3.2725000744994376e-16
],
[
0,
0,
7.17497756
]
] | [
65,
65,
30,
30,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm002324341> | Cmcm | Ir-Tb-Zn | 0.039646 | null | null | -0 | 5,167.224825 | 122.067764 |
[
[
0,
0,
0
],
[
2.923633865,
3.512921832187444e-49,
1.7902094273255277e-16
],
[
4.3854507975,
4.734168572447559,
5.817333960308337
],
[
4.385450797500001,
2.6708747057011752,
1.542030230308337
],
[
4.385450797500001,
1.8575363417672035e-16,
... | [
[
5.84726773,
0,
3.5804188546510554e-16
],
[
-4.534281274066235e-16,
7.405043278148734,
4.275303730000002
],
[
4.534281274066235e-16,
-7.405043278148734,
4.275303729999998
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003223416> | P6_3/mcm | Li-Mg | 0.082521 | null | null | 0.000088 | 1,188.10696 | 30.171032 |
[
[
-2.5653042687413783,
-1.5394839190417058,
-9.125455464963185
],
[
-1.3496116818282753,
-0.8099255540337327,
-4.287359046733993
],
[
-5.292620688519019,
-3.176194160999115,
-7.747055558508309
],
[
-4.076928101605916,
-2.4466357959911424,
-2.90895914027912... | [
[
-2.1250461369842024,
-3.9861197150328485,
-1.0984139276211515
],
[
-4.517186233363092,
0,
-1.0984139276211515
],
[
0,
0,
-9.83758675
]
] | [
65,
65,
65,
65,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003459553> | R-3m | Ir-Tb-Zn | 0.074752 | null | null | 0.000158 | 5,152.530693 | 92.804695 |
[
[
1.74460829,
1.74460829,
1.827503243719444
],
[
1.74460829,
1.74460829,
5.205834089161687
],
[
1.74460829,
1.74460829,
8.581383365
],
[
1.74460829,
1.74460829,
11.956932640838314
],
[
1.74460829,
1.74460829,
15.335263486280557
],
[
... | [
[
3.48921658,
0,
2.1365289581144373e-16
],
[
-2.1365289581144373e-16,
3.48921658,
2.1365289581144373e-16
],
[
0,
0,
17.16276673
]
] | [
65,
65,
65,
65,
65,
30,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003645072> | P4/mmm | Ir-Tb-Zn | 0.067564 | null | null | -0.000003 | 5,883.907398 | 123.044891 |
[
[
0,
0,
0
],
[
2.125825355,
-2.2978523017961363,
1.326665645
],
[
2.125825355,
2.2978523017961354,
1.326665645000001
],
[
2.125825355,
-1.8897635658586422e-16,
2.65333129
],
[
4.25165071,
-1.5319015345307576,
2.65333129
],
[
4.25165... | [
[
4.25165071,
0,
2.6033852165470357e-16
],
[
-2.8140574663080155e-16,
4.595704603592272,
2.653331290000001
],
[
2.8140574663080155e-16,
-4.595704603592272,
2.6533312899999992
]
] | [
65,
30,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm002324477> | P6/mmm | Ir-Tb-Zn | 0.057848 | null | null | 0.003954 | 5,900.391868 | 144.601379 |
[
[
-4.632205018722993,
-2.83696962247792,
-3.106603118551992
],
[
-0.045966068123732315,
-0.028151676880598758,
-9.074745391629232
],
[
-3.678147903940138,
-2.2526623558936674,
-6.267596897073276
],
[
-0.9813843452955461,
-0.6010436853130438,
-5.97550622209... | [
[
-2.3198923550793062,
-4.547223190038202,
-1.540745042984723
],
[
-5.104815303140419,
0,
-1.540745042984723
],
[
0,
0,
-9.22704073
]
] | [
65,
65,
65,
30,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003586492> | R3m | Ir-Tb-Zn | 0.061634 | null | null | 0.000216 | 7,498.207903 | 199.364822 |
[
[
0,
0,
0
],
[
0,
0,
7.152030772084975
],
[
0,
0,
3.4069943779150242
],
[
1.73962669,
1.73962669,
5.279512575
],
[
1.73962669,
1.73962669,
8.828159020648814
],
[
1.73962669,
1.73962669,
1.7308661293511869
]
] | [
[
3.47925338,
0,
2.1304282576198049e-16
],
[
-2.1304282576198049e-16,
3.47925338,
2.1304282576198049e-16
],
[
0,
0,
10.55902515
]
] | [
65,
65,
65,
30,
77,
77
] | [
1,
1,
1
] | alex<agm002325118> | P4/mmm | Ir-Tb-Zn | 0.067713 | null | null | 0.000127 | 5,504.562263 | 107.4757 |
[
[
1.782222335,
1.782222335,
1.644718404907825
],
[
1.782222335,
1.782222335,
5.276752245013418
],
[
1.782222335,
1.782222335,
8.882699905
],
[
1.782222335,
1.782222335,
12.488647564986584
],
[
1.782222335,
1.782222335,
16.120681405092178
... | [
[
3.56444467,
0,
2.1825928779266717e-16
],
[
-2.1825928779266717e-16,
3.56444467,
2.1825928779266717e-16
],
[
0,
0,
17.76539981
]
] | [
65,
65,
65,
65,
65,
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm003645071> | P4/mmm | Ir-Tb-Zn | 0.020681 | null | null | 0.001916 | 3,772.288677 | 82.937149 |
[
[
0,
0,
0
],
[
6.439550755815314e-16,
6.152074726746018,
1.9467452061494583e-15
],
[
3.1088816819398445e-16,
3.0760373633730076,
1.058566786449333e-15
],
[
4.3299984025328136e-16,
9.228112090119028,
1.4458598740496597e-15
]
] | [
[
1.4500579192161624,
4.101383151164013,
2.5115739900000005
],
[
1.4500579192161624,
4.101383151164013,
-2.5115739899999996
],
[
-2.9001158384323245,
4.101383151164013,
0
]
] | [
70,
13,
80,
80
] | [
1,
1,
1
] | mp-1187927 | Fm-3m | Al-Hg-Yb | 0.023467 | 0 | null | 0.000008 | 3,005.75335 | 54.522087 |
[
[
6.511393897416172,
0.04619168970601262,
6.423904945969585
],
[
3.575891933418545,
2.0322648062492235,
8.949325341077794
],
[
0.26666212615720886,
8.136280092695428,
4.17066058700368
],
[
3.202164090154836,
6.150206976152218,
1.6452401918954718
],
[
... | [
[
6.71401183815433,
0,
0.06760350726302117
],
[
0.06404418541905038,
8.182471782401441,
2.0832213157102433
],
[
0,
0,
8.44374071
]
] | [
63,
63,
63,
63,
63,
63,
13,
13,
13,
13,
33,
33,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | mp-1189098 | C2/c | Al-As-Eu | 0 | 0.0059 | null | null | 3,293.189975 | 45.855518 |
[
[
0.05173633992789233,
2.876910379954207,
2.3134227352862338
],
[
5.041741579104089,
4.562929785356088,
3.117790851122162
],
[
2.9711136715107447,
3.76712713327687,
0.11751275546082675
],
[
2.122364247521236,
3.6727130320334256,
5.3137008309475675
],
[... | [
[
8.334851152793737,
0,
-1.1806020588953416
],
[
-3.2413732337617556,
7.4398401653102955,
-2.7067534846962635
],
[
0,
0,
9.31856913
]
] | [
74,
74,
74,
74,
7,
7,
7,
7,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1188654 | P-1 | Cl-N-W | 0.01432 | 1.8151 | null | null | 3,146.074679 | 6.311018 |
[
[
-0.46893322559064093,
-0.2914345416631702,
-6.201394504867069
],
[
-5.2031484930430345,
-3.2336740361390963,
-7.385040226269798
],
[
-3.323520291957486,
-2.065515003281968,
-5.352595953909761
],
[
-1.4438920908719381,
-0.8973559704248398,
-3.320151681549... | [
[
-2.039835567929485,
-4.131030006563936,
-1.5589922189097605
],
[
-4.607205015985487,
0,
-1.5589922189097605
],
[
0,
0,
-7.58720747
]
] | [
3,
3,
3,
3,
3,
12,
12
] | [
1,
1,
1
] | alex<agm003288505> | R-3m | Li-Mg | 0.036937 | null | null | 0.00002 | 2,041.241073 | 20.903948 |
[
[
-4.381877246780321e-16,
2.6234602814455736,
2.220446049250313e-16
],
[
1.6948419627978875e-16,
7.870380844336719,
5.551115123125783e-16
],
[
-1.0512081729048512e-16,
5.246920562891146,
2.0627429209163497e-16
],
[
0,
0,
0
]
] | [
[
1.2367110367891556,
3.4979470419274303,
2.1420463500000007
],
[
1.2367110367891556,
3.4979470419274303,
-2.1420463499999998
],
[
-2.473422073578311,
3.4979470419274303,
0
]
] | [
22,
22,
26,
44
] | [
1,
1,
1
] | mp-1187428 | Fm-3m | Fe-Ru-Ti | 0.016964 | 0 | null | 0.000031 | 4,116.055872 | 198.562668 |
[
[
0,
0,
4.5682886500580056
],
[
0,
0,
1.4588335199419944
],
[
1.514439385,
1.514439385,
1.854653345342936e-16
],
[
1.514439385,
1.514439385,
3.013561085
]
] | [
[
3.02887877,
0,
1.854653345342936e-16
],
[
-1.854653345342936e-16,
3.02887877,
1.854653345342936e-16
],
[
0,
0,
6.02712217
]
] | [
22,
22,
26,
44
] | [
1,
1,
1
] | alex<agm001115176> | P4/mmm | Fe-Ru-Ti | 0.015673 | null | null | 0.000049 | 4,116.055872 | 189.088531 |
[
[
0,
0,
0
],
[
0,
0,
6.033776080195197
],
[
0,
0,
2.921741309804804
],
[
1.504665205,
1.504665205,
7.496752535456683
],
[
1.504665205,
1.504665205,
1.4587648545433176
],
[
1.504665205,
1.504665205,
4.477758695
]
] | [
[
3.00933041,
0,
1.842683427091646e-16
],
[
-1.842683427091646e-16,
3.00933041,
1.842683427091646e-16
],
[
0,
0,
8.95551739
]
] | [
22,
22,
22,
26,
26,
44
] | [
1,
1,
1
] | alex<agm003435731> | P4/mmm | Fe-Ru-Ti | 0.014715 | null | null | -0.000002 | 3,352.464495 | 192.16951 |
[
[
-3.286219985057703e-16,
5.26083607737755,
-2.384456337933826e-16
],
[
0,
0,
0
],
[
-5.3288696790369486e-17,
7.8912541160663245,
3.3306690738754696e-16
],
[
-5.506666034308016e-16,
2.630418038688775,
4.604902387184139e-16
]
] | [
[
1.2399909550081676,
3.507224051585033,
2.1477273350000003
],
[
1.2399909550081676,
3.507224051585033,
-2.1477273349999995
],
[
-2.4799819100163347,
3.507224051585033,
0
]
] | [
22,
26,
44,
44
] | [
1,
1,
1
] | alex<agm002191061> | Fm-3m | Fe-Ru-Ti | 0.09846 | null | null | 0.069997 | 5,793.292834 | 219.811569 |
[
[
1.535591145,
0,
9.402783902616346e-17
],
[
1.5355911449999997,
2.12499757,
2.1249975700000006
],
[
-1.301185736148202e-16,
2.12499757,
1.301185736148202e-16
],
[
0,
0,
2.12499757
]
] | [
[
3.07118229,
0,
1.880556780523269e-16
],
[
-2.602371472296404e-16,
4.24999514,
2.602371472296404e-16
],
[
0,
0,
4.24999514
]
] | [
22,
26,
44,
44
] | [
1,
1,
1
] | alex<agm001228761> | P4/mmm | Fe-Ru-Ti | 0.08346 | null | null | 0.063258 | 5,793.292834 | 224.105087 |
[
[
1.52939803,
1.52939803,
1.4557764623594365
],
[
1.52939803,
1.52939803,
4.558314584912497
],
[
1.52939803,
1.52939803,
7.67222663
],
[
1.52939803,
1.52939803,
10.786138675087503
],
[
1.52939803,
1.52939803,
13.888676797640564
],
[
... | [
[
3.05879606,
0,
1.8729724020617677e-16
],
[
-1.8729724020617677e-16,
3.05879606,
1.8729724020617677e-16
],
[
0,
0,
15.34445326
]
] | [
22,
22,
22,
22,
22,
26,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm003638407> | P4/mmm | Fe-Ru-Ti | 0.002712 | null | null | -0.000064 | 5,283.159866 | 200.118576 |
[
[
1.490842665,
1.490842665,
1.5756696165743913
],
[
1.490842665,
1.490842665,
4.521592243716659
],
[
1.490842665,
1.490842665,
7.458699285
],
[
1.490842665,
1.490842665,
10.39580632628334
],
[
1.490842665,
1.490842665,
13.34172895342561
]... | [
[
2.98168533,
0,
1.8257556977245597e-16
],
[
-1.8257556977245597e-16,
2.98168533,
1.8257556977245597e-16
],
[
0,
0,
14.91739857
]
] | [
22,
22,
22,
22,
22,
26,
26,
26,
26,
44
] | [
1,
1,
1
] | alex<agm003638408> | P4/mmm | Fe-Ru-Ti | 0.004653 | null | null | -0.000022 | 2,668.088012 | 198.080017 |
[
[
1.33159975,
0.06629469621,
2.143414089021
],
[
1.3315997499999999,
3.0285241962100002,
1.0379244109790002
],
[
3.99479925,
5.85816430379,
4.219262910979
],
[
3.9947992500000002,
2.89593480379,
5.324752589021
],
[
0.44954807559999993,
2.191054... | [
[
5.326399,
0,
3.2614787431658315e-16
],
[
-3.6276848755148644e-16,
5.924459,
3.6276848755148644e-16
],
[
0,
0,
6.362677
]
] | [
39,
39,
39,
39,
5,
5,
5,
5,
5,
5,
5,
5,
44,
44,
44,
44
] | [
1,
1,
1
] | mp-1188195 | Pnma | B-Ru-Y | 0 | 0 | null | -0.000003 | 5,118.006681 | 169.039429 |
[
[
0,
0,
0
],
[
9.750165572571267e-17,
-1.5923228769894648,
2.757984125
],
[
-9.750165572571263e-17,
1.5923228769894648,
2.757984125
],
[
1.5187055,
2.388484315484197,
4.1369761875
],
[
1.5187055,
-2.388484315484197,
4.1369761875
],
[
... | [
[
3.037411,
0,
1.8598778294224807e-16
],
[
-2.925049671771379e-16,
4.776968630968394,
2.757984125000001
],
[
2.925049671771379e-16,
-4.776968630968394,
2.7579841249999992
]
] | [
39,
5,
5,
44,
44,
44
] | [
1,
1,
1
] | mp-4382 | P6/mmm | B-Ru-Y | 0 | 0 | null | -0 | 6,526.062844 | 203.30481 |
[
[
2.442376475,
0,
2.95532382
],
[
2.442376475,
2.803593625503901,
-0.9347735897495629
],
[
2.442376475,
0,
1.4955242662107728e-16
],
[
-2.607932309830965e-16,
4.259076676878116,
3.069517023378739
],
[
-8.254796497523105e-17,
1.3481105741296862,... | [
[
4.88475295,
0,
2.9910485324215455e-16
],
[
-3.4334119595832756e-16,
5.607187251007802,
-1.869547179499126
],
[
0,
0,
5.91064764
]
] | [
3,
3,
3,
3,
3,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003290369> | Cmmm | Li-Mg | 0.033788 | null | null | 0 | 1,693.165768 | 37.135746 |
[
[
4.4445852200456955,
2.164891279093723,
3.1175441527375276
],
[
3.432157933919077,
2.995688840942686,
6.4257002147992255
],
[
1.9647213917872035,
2.5802900600182044,
4.167606781823598
],
[
2.0814778104643885,
0.4996765244996033,
6.783051227187898
],
[... | [
[
3.847414675490653,
0,
1.1774618111643254
],
[
1.8514807414514598,
5.160580120036409,
0.8247348674730776
],
[
0,
0,
6.87453972
]
] | [
39,
39,
5,
5,
5,
5,
5,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002255033> | C2 | B-Ru-Y | 0.057742 | null | null | 0.000018 | 5,599.384948 | 162.615372 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.