pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
-1.2714636869208096e-16,
2.07645778,
2.07645778
],
[
2.07645778,
2.07645778,
2.5429273738416193e-16
],
[
2.07645778,
0,
2.07645778
],
[
0,
0,
0
]
] | [
[
4.15291556,
0,
2.5429273738416193e-16
],
[
-2.5429273738416193e-16,
4.15291556,
2.5429273738416193e-16
],
[
0,
0,
4.15291556
]
] | [
22,
22,
22,
51
] | [
1,
1,
1
] | alex<agm001827674> | Pm-3m | Sb-Ti | 0.043015 | null | null | 0 | 2,425.92393 | 118.733047 |
[
[
2.644344370241549,
0.9226159519653124,
1.0037615768226136
],
[
1.1083991805918492,
-0.9226159519653125,
2.60221938
],
[
1.5359451896496998,
1.8452319039306249,
3.6059809568226138
],
[
0,
0,
0
]
] | [
[
0.6808531715339985,
-3.6904638078612497,
1.5984578031773866
],
[
3.752743550833398,
0,
-1.5984578031773866
],
[
-0.6808531715339985,
3.6904638078612497,
3.6059809568226138
]
] | [
22,
22,
22,
51
] | [
1,
1,
1
] | alex<agm001280513> | I4/mmm | Sb-Ti | 0.055514 | null | null | 0.011672 | 2,425.92393 | 115.473053 |
[
[
0,
0,
0
],
[
0,
0,
-3.143245385
],
[
-2.01876974,
-1.165537252820871,
-1.571622692500001
],
[
-2.0187697400000006,
1.1655372528208707,
-4.7148680775
]
] | [
[
-2.0187697400000006,
-3.496611758462613,
-4.944559800613069e-16
],
[
-2.0187697399999998,
3.496611758462613,
2.4722799003065345e-16
],
[
0,
0,
-6.28649077
]
] | [
22,
22,
51,
51
] | [
1,
1,
1
] | mp-2187 | P6_3/mmc | Sb-Ti | 0.025209 | 0 | 89.268159 | null | 2,892.058458 | 90.216827 |
[
[
1.9403543879464926,
4.646824962946493,
3.472586762053507
],
[
3.4725867620535067,
1.9403543879464928,
4.646824962946494
],
[
4.646824962946493,
3.4725867620535067,
1.9403543879464935
],
[
0.766116187053507,
0.766116187053507,
0.7661161870535071
],
[
... | [
[
5.41294115,
0,
3.3144705266602463e-16
],
[
-3.3144705266602463e-16,
5.41294115,
3.3144705266602463e-16
],
[
0,
0,
5.41294115
]
] | [
22,
22,
22,
22,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002191385> | P2_13 | Sb-Ti | 0 | null | null | 0.000061 | 2,892.058458 | 96.608276 |
[
[
1.446385259540544,
4.045552844147563,
3.6840458546086396
],
[
4.3845814353963055,
3.542938243168489,
10.835251085827501
],
[
2.897339342999668,
5.677412473298178,
7.346277522918724
],
[
2.933627351937182,
1.9110786140178742,
7.173019417517417
],
[
... | [
[
4.249562833535351,
0,
0.8900488106506632
],
[
1.581403861401499,
7.588491087316052,
3.0393956697854794
],
[
0,
0,
10.58985246
]
] | [
20,
20,
20,
20,
1,
1,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003428359> | C2/m | Br-Ca-H | 0.094387 | null | null | -0 | 5,546.809309 | 16.800377 |
[
[
-3.652836529477079,
3.292481173091637,
-0.7524686621999399
],
[
-4.793657738223176,
1.0974937243638792,
0.7524686621999404
],
[
-3.030472911443016,
-0.670410626490022,
2.2961146250491473
],
[
-2.831110888149592,
2.86539807521778,
2.0331221878000596
],
... | [
[
-2.2816424174921957,
-4.3899748974555175,
-2.5613070512002385
],
[
0,
0,
5.5711817
],
[
-3.08242592510403,
4.3899748974555175,
-1.504937324399881
]
] | [
22,
22,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-568 | I4/mcm | Sb-Ti | 0 | 0 | 88.85072 | -0.000007 | 3,104.308703 | 90.314262 |
[
[
-5.624344208367986,
-2.187599612533139,
4.929556549360768
],
[
-7.499125611313355,
-4.179496096414802,
4.351922029023803
],
[
-3.116862815236765,
-2.1487632575725835,
3.4536881454255646
],
[
-4.980208913513425,
0,
2.8389389884164906
],
[
-4.99164... | [
[
-3.7495628053984333,
0,
-1.1552690402830648
],
[
-1.8747814034860397,
-6.367095708947941,
-0.5776345207662337
],
[
-3.7495628053984333,
0,
5.507191069716935
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
51
] | [
1,
1,
1
] | alex<agm003300468> | I4/mmm | Sb-Ti | 0.027324 | null | null | 0.00127 | 2,034.257454 | 117.120354 |
[
[
-0.5471586387158025,
0.9477065624761768,
-3.947964883852908
],
[
-3.90456320167687,
-0.9477065624761769,
-2.7609431177066943
],
[
1.0943172777954946,
-1.0957132097177838e-34,
-0.3868995838529078
],
[
-1.6787022818568025,
-2.9075976423132226,
-3.587388315... | [
[
-3.3574045637136045,
-5.815195284626445,
-2.37404353438591
],
[
-3.3574045614807524,
5.815195284626445,
-2.374043532807045
],
[
6.714809125194357,
0,
-2.374043532807045
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003290287> | I-43d | Sb-Ti | 0.022554 | null | null | 0.001449 | 2,780.972361 | 115.268425 |
[
[
0,
0,
0
],
[
-3.6642498504896013,
-5.071308542257758,
-0.4068438192216728
],
[
-6.5438776884640495,
-6.847202276081748,
3.59680490806883
],
[
-2.320456223354597,
-0.49052784565661983,
1.757855943427519
],
[
-5.200084061329045,
-2.266421579480... | [
[
-3.5457335654017372,
0,
-0.882839047390754
],
[
-1.7728667810151717,
-7.3377301217383675,
-0.4414195237221428
],
[
-3.5457335654017372,
0,
6.678919422609246
]
] | [
22,
22,
22,
22,
22,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002190832> | I4/m | Sb-Ti | 0.069791 | null | null | 0.0083 | 2,806.913784 | 92.22538 |
[
[
2.001858335,
3.2064458689248596,
3.5468491824864645
],
[
-1.592129416629413e-16,
2.600144658423826,
1.5728557648863817
],
[
2.001858335,
1.934549655738383,
-0.5941862551686165
],
[
-7.770106270622116e-17,
1.26895465305294,
4.131458384776384
],
[
... | [
[
4.00371667,
0,
2.4515694023042e-16
],
[
-2.369140043691625e-16,
3.869099311476766,
-1.1883725103372331
],
[
0,
0,
6.89268666
]
] | [
22,
22,
22,
22,
22,
51
] | [
1,
1,
1
] | alex<agm001192595> | Cmmm | Sb-Ti | 0.024298 | null | null | 0.004055 | 2,206.953849 | 110.172272 |
[
[
-4.699911446802837,
-3.022335288105667,
-7.845420904681552
],
[
-1.9437731677600967,
-3.022335288105667,
-6.708357643588989
],
[
-3.556393829887855,
-0.5146140769241385,
-6.70835764358899
],
[
-4.089952797741854,
-4.4024622338420425,
-5.415059070451672
... | [
[
-2.2421804146351865,
-4.917076310766181,
-2.2295248770203306
],
[
-5.404166212994523,
0,
-2.2295248770203306
],
[
0,
0,
-7.66436696
]
] | [
22,
22,
22,
22,
22,
22,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002190806> | R-3m | Sb-Ti | 0.066395 | null | null | 0.000463 | 2,732.297137 | 91.841187 |
[
[
2.1557740000899077,
4.154403443961728,
8.96157675
],
[
9.058201529628389e-11,
4.185561553191091,
2.9871922500000005
],
[
0,
0,
5.9743845
],
[
0,
0,
0
],
[
1.313248126304152e-10,
6.068175211858385,
6.601969694187001
],
[
2.15577400... | [
[
4.311548,
0,
2.6400617287850865e-16
],
[
-2.1557739998195102,
8.33996499715282,
5.274602872264296e-16
],
[
0,
0,
11.948769
]
] | [
37,
37,
62,
62,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-1206676 | Cmcm | I-Rb-Sm | 0.086712 | 0 | null | 0.003076 | 4,551.75927 | 7.607769 |
[
[
4.1130755475117375,
2.901246308570835,
3.1353870185697597
],
[
-0.5669002303531586,
5.048961360491721,
0.7568302618324839
],
[
-1.9436387864281717,
7.948804934421426,
-3.9120258234387753
],
[
5.489814103586751,
0.0014027346411293975,
7.804243103841019
... | [
[
7.320640093535859,
0,
-2.158688828236573
],
[
-3.7744647763772807,
7.950207669062556,
-3.3746120713611822
],
[
0,
0,
9.42551818
]
] | [
37,
37,
62,
62,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003742755> | C2/c | I-Rb-Sm | 0.065436 | null | null | 0.000023 | 4,594.133393 | 6.040274 |
[
[
2.5457746250254303,
2.019023146211262,
-4.033589040578015
],
[
4.874276046446436,
-1.5308154113225976,
0.8516458501789307
],
[
4.574451879049225,
-6.973826818590608,
-7.247876065033691
],
[
2.6702316807264985,
1.4009637368234304,
-0.25473558615718833
]... | [
[
3.0832856045772603,
7.099677115067721,
3.6893359396707446
],
[
4.657002842842012,
-7.099677115067721,
1.1958989515138894
],
[
0,
0,
-8.57457083
]
] | [
37,
37,
62,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003471116> | I4mm | I-Rb-Sm | 0.076261 | null | null | 0 | 4,747.176887 | 5.908706 |
[
[
2.652049,
0.9200999049602887,
1.6002708380354556
],
[
2.6520489999999994,
3.6732858862533413,
3.2322532197351252
],
[
-1.1021184445326266e-16,
1.79989601132337,
0.01816502024670496
],
[
-2.8405336468169535e-16,
4.638943487697259,
1.701042782131519
],
... | [
[
5.304098,
0,
3.247823319031939e-16
],
[
-3.3792905617930596e-16,
5.51880030086365,
-3.0194957573811627
],
[
0,
0,
6.29082756
]
] | [
12,
12,
12,
12,
12,
12,
30,
83
] | [
1,
1,
1
] | mp-1022588 | Amm2 | Bi-Mg-Zn | 0.092873 | 0 | null | 0.000009 | 3,453.135434 | 41.882816 |
[
[
0,
0,
0
],
[
3.075138325,
2.540989793494834,
5.298128210471493
],
[
3.0751383249999997,
5.875663698825342,
-0.058032435283072885
],
[
-1.527288265479375e-16,
2.4942510224870262,
5.373200128449075
],
[
-3.626425613971773e-16,
5.92240246983315,... | [
[
6.15027665,
0,
3.7659583066466033e-16
],
[
-5.153713879451147e-16,
8.416653492320176,
-4.13937589481158
],
[
0,
0,
9.37947167
]
] | [
37,
62,
62,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003508572> | Cmmm | I-Rb-Sm | 0.069089 | null | null | 0.000055 | 4,479.359342 | 6.429981 |
[
[
-8.643622553268828e-16,
5.189536072748196,
4.440892098500626e-16
],
[
4.440892098500626e-16,
15.56860821824458,
6.661338147750939e-16
],
[
0,
0,
0
],
[
-1.193715764453185,
12.067241169204653,
-2.0675763538288403
],
[
1.193715764453186,
8.6909... | [
[
2.446370765501636,
6.919381430330926,
4.237238460000001
],
[
2.446370765501636,
6.919381430330926,
-4.2372384599999995
],
[
-4.892741531003271,
6.919381430330926,
0
]
] | [
37,
37,
62,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm002308163> | Fm-3m | I-Rb-Sm | 0.0953 | null | null | 0.000005 | 4,753.368214 | 6.729792 |
[
[
3.8816655,
1.6303788998623825,
6.708542513283368
],
[
1.2938884999999998,
4.99457878894011,
4.766220801716633
],
[
3.8816654999999995,
4.99457878894011,
2.8836214082833687
],
[
1.2938885,
1.6303788998623825,
0.941299696716633
],
[
3.8816655,
... | [
[
5.175554,
0,
3.1691128199571403e-16
],
[
-4.0566166140393104e-16,
6.6249576888024935,
3.8249211050000014
],
[
4.0566166140393104e-16,
-6.6249576888024935,
3.8249211049999987
]
] | [
21,
21,
21,
21,
21,
21,
23,
23,
23,
23,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1208991 | P6_3/mcm | Sc-Si-V | 0.027898 | 0 | null | -0.000047 | 3,232.212223 | 123.371384 |
[
[
-3.0106132085560215e-16,
4.916704490881988,
-2.6180006312420905
],
[
-4.938405698961065e-19,
0.008065028549291723,
5.570264384314051
],
[
3.710432130796625,
2.1151575032543874,
3.7069624167895645
],
[
3.7104321307966246,
4.266310704000745,
0.118552098219... | [
[
4.94123101,
0,
3.025631370122072e-16
],
[
-3.910059935836156e-16,
6.385612469747999,
-3.412027003713359
],
[
0,
0,
7.24002589
]
] | [
21,
21,
23,
23,
23,
23,
23,
23,
23,
23,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1219322 | Amm2 | Sc-Si-V | 0.079744 | 0 | null | 0.007989 | 2,941.219216 | 170.947952 |
[
[
0.8812428925,
0.324984545081972,
6.7471524307544275
],
[
0.8812428924999998,
3.8099434450819722,
5.421456329245572
],
[
2.6437286775,
3.159974354918028,
2.690949510754428
],
[
2.6437286774999995,
6.644933254918028,
1.3652534092455724
],
[
0.88124... | [
[
3.52497157,
0,
2.1584225751429602e-16
],
[
-4.267843762045081e-16,
6.9699178,
4.267843762045081e-16
],
[
0,
0,
8.11240584
]
] | [
21,
21,
21,
21,
23,
23,
23,
23,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002319799> | Pnma | Sc-Si-V | 0.06497 | null | null | -0.000062 | 3,255.192167 | 125.825485 |
[
[
1.871734075,
0,
4.658646270151653
],
[
-1.1461065719018909e-16,
1.871734075,
2.5069905498483465
],
[
1.8717340749999998,
1.871734075,
2.2922131438037817e-16
],
[
0,
0,
0
],
[
1.871734075,
0,
1.743852306553024
],
[
-1.1461065719018... | [
[
3.74346815,
0,
2.2922131438037817e-16
],
[
-2.2922131438037817e-16,
3.74346815,
2.2922131438037817e-16
],
[
0,
0,
7.16563682
]
] | [
21,
21,
23,
23,
14,
14
] | [
1,
1,
1
] | alex<agm002188261> | P4/nmm | Sc-Si-V | 0.009198 | null | null | 0.007937 | 3,255.192167 | 134.652527 |
[
[
0,
0,
0
],
[
-1.8785401200000003,
-1.0845756439655116,
-3.8410300000000004
],
[
-1.8785401200000003,
1.0845756439655116,
-1.920515
]
] | [
[
-1.8785401200000005,
-3.253726931896536,
-4.60109629005577e-16
],
[
-1.8785401199999996,
3.253726931896536,
2.300548145027885e-16
],
[
0,
0,
-3.84103
]
] | [
71,
1,
34
] | [
1,
1,
1
] | mp-1206843 | P-6m2 | H-Lu-Se | 0 | 1.4615 | null | -0 | 2,726.853387 | 82.520187 |
[
[
-2.871648528895181,
-1.7673964868530754,
-4.703872625678935
],
[
0,
0,
0
],
[
-0.5177208408959549,
-0.31863857507735066,
-5.271066428395304
],
[
-5.2255762168944075,
-3.2161543986288,
-4.136678822962567
]
] | [
[
-1.7838794964703182,
-3.5347929737061508,
-1.2452870406789356
],
[
-3.9594175613200444,
0,
-1.2452870406789356
],
[
0,
0,
-6.91717117
]
] | [
71,
1,
34,
34
] | [
1,
1,
1
] | alex<agm001986405> | R-3m | H-Lu-Se | 0.064414 | null | null | 0 | 2,530.725742 | 30.834053 |
[
[
0,
0,
-11.722719000000001
],
[
0,
0,
-3.9075729999999984
],
[
0,
0,
-7.815146
],
[
0,
0,
0
],
[
-2.122720025,
1.2255529778479595,
-10.080788085984
],
[
-2.122720025,
-1.2255529778479595,
-5.549503914016001
],
[
-2.... | [
[
-2.1227200250000005,
-3.6766589335438775,
-5.199164568204479e-16
],
[
-2.1227200249999996,
3.6766589335438775,
2.5995822841022396e-16
],
[
0,
0,
-15.630292
]
] | [
65,
65,
65,
65,
30,
30,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-1208296 | P6_3/mmc | Ge-Tb-Zn | 0 | 0 | null | 0.000051 | 2,542.178087 | 87.440498 |
[
[
3.15338595,
6.903573517050993,
1.5816798689852842
],
[
1.05112865,
0.07736958294900699,
6.6542590610147165
],
[
3.1533859500000005,
3.413101967050993,
2.5362895960147167
],
[
1.0511286499999999,
3.5678411329490074,
5.699649333985283
],
[
3.153385... | [
[
4.2045146,
0,
2.574522673429157e-16
],
[
-4.2745948112224007e-16,
6.9809431,
4.2745948112224007e-16
],
[
0,
0,
8.23593893
]
] | [
65,
65,
65,
65,
30,
30,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002246570> | Pnma | Ge-Tb-Zn | 0.090317 | null | null | -0.000001 | 2,542.178087 | 77.257202 |
[
[
2.04120539,
-1.208934314080006,
2.093935655
],
[
-7.402587690587398e-17,
1.208934314080005,
2.093935655
],
[
0,
0,
0
]
] | [
[
4.08241078,
0,
2.4997556472658247e-16
],
[
-2.2207763071762197e-16,
3.6268029422400163,
2.093935655000001
],
[
2.2207763071762197e-16,
-3.6268029422400163,
2.0939356549999992
]
] | [
65,
30,
32
] | [
1,
1,
1
] | alex<agm001258636> | P-6m2 | Ge-Tb-Zn | 0.065154 | null | null | -0.000042 | 2,542.178087 | 84.699318 |
[
[
0.4420324545095938,
0.46204383383885594,
2.1014038764786642
],
[
3.5444216473374954,
-0.46204383383885617,
6.955037616014491
],
[
2.9457428710272766,
0.995637439791965,
4.108943417493155
],
[
1.040711230819813,
-0.9956374397919643,
4.947498075
],
[
... | [
[
0.1763908214321629,
-3.9825497591678594,
0.8385546575068454
],
[
3.9864541018470896,
0,
-0.8385546575068454
],
[
-0.1763908214321629,
3.9825497591678594,
9.056441492493155
]
] | [
65,
65,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003633735> | I4/mmm | Ge-Tb-Zn | 0.06733 | null | null | 0.000006 | 2,415.971363 | 74.754395 |
[
[
4.03569426,
-2.1952411230574125,
3.8022691600000003
],
[
4.03569426,
2.1952411230574125,
3.80226916
],
[
2.0178471300000003,
-4.717795683090611,
2.7238206076140186
],
[
2.017847129999999,
4.717795683090613,
2.723820607614021
],
[
7.72149242584152... | [
[
4.03569426,
0,
2.471150028923173e-16
],
[
-4.032592522063351e-16,
6.5857233691722366,
3.802269160000001
],
[
4.032592522063351e-16,
-6.5857233691722366,
3.8022691599999985
]
] | [
65,
65,
30,
30,
30,
30,
30,
30,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002193330> | P-62m | Ge-Tb-Zn | 0.028794 | null | null | -0.000038 | 2,310.91434 | 75.583359 |
[
[
3.0851710949999998,
1.1781638262723009,
3.197204627243427
],
[
1.0283903649999997,
4.3483360017981845,
3.2422051362740354
],
[
1.028390365,
1.5929094009195581,
0.03796203067308679
],
[
3.0851710949999993,
3.933590427150927,
6.401447732844376
],
[
... | [
[
4.11356146,
0,
2.518829937542456e-16
],
[
-3.384005162467459e-16,
5.526499828070485,
-1.9371265764825372
],
[
0,
0,
8.37653634
]
] | [
65,
65,
65,
65,
30,
30,
32,
32
] | [
1,
1,
1
] | alex<agm003628703> | P2_1/m | Ge-Tb-Zn | 0.071717 | null | null | 0.000166 | 2,736.633233 | 67.971657 |
[
[
2.1454689749999996,
4.812805390309614,
5.838616414690386
],
[
2.1454689749999996,
5.838616414690386,
2.288142479690386
],
[
2.145468975,
1.262331455309614,
4.812805390309614
],
[
2.145468975,
2.2881424796903858,
1.2623314553096143
],
[
-2.1740382... | [
[
4.29093795,
0,
2.627441712903703e-16
],
[
-4.3480765399538577e-16,
7.10094787,
4.3480765399538577e-16
],
[
0,
0,
7.10094787
]
] | [
65,
65,
65,
65,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002324708> | P4/mbm | Ge-Tb-Zn | 0.084217 | null | null | -0 | 2,621.650313 | 73.842041 |
[
[
3.919930415505767,
1.4497538092056452,
2.02066299004665
],
[
2.2069778759636525,
3.983604050368593,
9.353484269211519
],
[
4.802206076515096,
1.7754868185682582,
7.644802923656875
],
[
1.3247022149543233,
3.65787104100598,
3.7293443356012945
],
[
... | [
[
4.16244850981045,
0,
0.9655787296515702
],
[
1.9644597816589695,
5.4333578595742384,
0.9768497396065989
],
[
0,
0,
9.43171879
]
] | [
65,
65,
65,
65,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002324707> | C2/m | Ge-Tb-Zn | 0.09194 | null | null | 0.000089 | 2,621.650313 | 75.44413 |
[
[
4.7374752412499435,
4.563652187105918,
4.493088812106483
],
[
0.6268246061086794,
3.3007070328940817,
1.6761797406188115
],
[
3.3089745297879913,
0.6314725771059178,
0.6731622669814581
],
[
2.0553253175706314,
7.232886642894082,
5.496106285743836
],
... | [
[
5.364299847358623,
0,
-2.0060349472747063
],
[
-4.815531173058987e-16,
7.86435922,
4.815531173058987e-16
],
[
0,
0,
8.1753035
]
] | [
65,
65,
65,
65,
30,
30,
30,
30,
30,
30,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003333910> | Cmce | Ge-Tb-Zn | 0.088754 | null | null | -0 | 2,374.02805 | 76.140923 |
[
[
-1.353655957878945e-16,
2.210687945,
0.04920785913123053
],
[
0,
0,
3.7581802632018015
],
[
1.82690365,
0,
6.309938071824307
],
[
1.82690365,
0,
1.2119721523990385
],
[
1.8269036499999998,
2.210687945,
5.141174743649955
],
[
1.826... | [
[
3.6538073,
0,
2.2373117073231163e-16
],
[
-2.70731191575789e-16,
4.42137589,
2.70731191575789e-16
],
[
0,
0,
7.61975728
]
] | [
65,
65,
30,
30,
30,
32
] | [
1,
1,
1
] | alex<agm003411602> | Pmm2 | Ge-Tb-Zn | 0.04359 | null | null | 0.000175 | 2,550.092608 | 80.626633 |
[
[
0.5066814194660915,
2.668296154040392,
9.78907948212289
],
[
0,
0,
0
],
[
3.429818437892969,
1.4675110258359871,
4.498779430521676
],
[
2.9354586598251173,
3.1100594201777185,
7.488211036675879
],
[
1.0010411975339428,
1.0257477596986613,
... | [
[
4.03762978454354,
0,
0.6235158834403135
],
[
-0.10112992718447997,
4.135807179876379,
0.6752741292042522
],
[
0,
0,
12.9890689
]
] | [
65,
65,
65,
30,
30,
30,
30,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002324523> | C2/m | Ge-Tb-Zn | 0.067851 | null | null | 0.000118 | 2,456.022158 | 81.754417 |
[
[
-0.433486949695401,
-3.746790065447835,
-0.4939586319117727
],
[
-3.7717829643412433,
0,
-0.4939586319117727
],
[
0,
0,
-3.803990255
],
[
-5.393035441870065,
0,
-2.875174294533339
],
[
-0.24715815034126706,
-2.1362804645995235,
-5.7207234... | [
[
-0.8669738993908019,
-7.49358013089567,
-0.9879172638235453
],
[
-7.5435659286824865,
0,
-0.9879172638235453
],
[
0,
0,
-7.60798051
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
20,
20,
12,
12
] | [
1,
1,
1
] | alex<agm003302748> | R-3m | Ca-Li-Mg | 0.03013 | null | null | 0.000011 | 2,498.366118 | 19.364737 |
[
[
1.0324250574999998,
3.602852399414121,
5.342404315856931
],
[
3.0972751724999994,
6.741249255585879,
1.421925110856931
],
[
3.0972751725,
3.2932153705858798,
2.49855409414307
],
[
1.0324250575,
0.1548185144141202,
6.419033299143069
],
[
3.0972751... | [
[
4.12970023,
0,
2.5287120840537944e-16
],
[
-4.2226236606168633e-16,
6.89606777,
4.2226236606168633e-16
],
[
0,
0,
7.84095841
]
] | [
70,
70,
70,
70,
30,
30,
30,
30,
45,
45,
45,
45
] | [
1,
1,
1
] | mp-1207475 | Pnma | Rh-Yb-Zn | 0 | 0 | null | null | 4,347.225831 | 84.146637 |
[
[
2.094349195,
1.1653228479028047e-16,
2.81949496484918
],
[
2.0943491949999995,
2.441754265401703,
5.333970067575411
],
[
2.0943491950000004,
-2.441754265401703,
5.33397006757541
],
[
-1.9993800491116484e-32,
2.5087336205631224e-16,
5.131858930642409
],... | [
[
4.18869839,
0,
2.564838037953586e-16
],
[
-3.5761099252422974e-16,
5.840230714246956,
3.3718587750000015
],
[
3.5761099252422974e-16,
-5.840230714246956,
3.371858774999999
]
] | [
70,
70,
70,
30,
30,
30,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002324996> | P-62m | Rh-Yb-Zn | 0.001125 | null | null | 0 | 4,347.225831 | 83.968384 |
[
[
7.374345573830305e-16,
2.9922390149191083,
2.220446049250313e-16
],
[
5.352507323852887e-16,
8.976717044757327,
6.661338147750939e-16
],
[
0,
0,
0
],
[
6.264122549205148e-16,
5.984478029838217,
7.153336728515924e-16
]
] | [
[
1.4105549989201716,
3.9896520198921457,
2.4431529250000006
],
[
1.4105549989201716,
3.9896520198921457,
-2.4431529249999997
],
[
-2.8211099978403427,
3.9896520198921457,
0
]
] | [
70,
70,
30,
45
] | [
1,
1,
1
] | mp-977423 | Fm-3m | Rh-Yb-Zn | 0.047724 | 0 | null | 0.000081 | 3,927.664662 | 64.30323 |
[
[
3.8245650295155142,
3.370477569625572,
6.6739978214074895
],
[
1.123189921906109,
1.4139536861434245,
2.610780531347126
],
[
0,
0,
0
],
[
2.1887142791315446,
1.278261570100934,
5.368368189908511
],
[
2.7590406722900784,
3.5061696856680626,
... | [
[
3.7229793862394476,
0,
1.462379328866268
],
[
1.2247755651821755,
4.784431255768997,
2.3521600438883463
],
[
0,
0,
5.47023898
]
] | [
70,
70,
30,
45,
45
] | [
1,
1,
1
] | alex<agm002246766> | Immm | Rh-Yb-Zn | 0 | null | null | 0.000015 | 4,606.533452 | 81.578133 |
[
[
2.0681589449999995,
5.654103383132717,
4.529109051867284
],
[
2.068158945,
2.2596992381327166,
5.654103383132717
],
[
2.0681589449999995,
4.529109051867284,
1.1347049068672839
],
[
2.068158945,
1.1347049068672834,
2.259699238132717
],
[
0,
0,... | [
[
4.13631789,
0,
2.532764232122217e-16
],
[
-4.1569461711867584e-16,
6.78880829,
4.1569461711867584e-16
],
[
0,
0,
6.78880829
]
] | [
70,
70,
70,
70,
30,
30,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002246765> | P4/mbm | Rh-Yb-Zn | 0.023442 | null | null | 0.000044 | 4,606.533452 | 87.864182 |
[
[
2.1265594100190017,
0.7231442332803452,
1.7555021075000001
],
[
0.014909993172753079,
4.133804723317569,
5.2665063225
],
[
0.005408775445938604,
1.3406320017520148,
3.9245114022400234
],
[
2.1360606277458163,
3.5163169548458995,
3.0974970277599767
],
... | [
[
4.24674628,
0,
2.6003821192964647e-16
],
[
-2.105276876808245,
4.856948956597915,
3.241391847560091e-16
],
[
0,
0,
7.02200843
]
] | [
70,
70,
30,
30,
30,
30,
45,
45
] | [
1,
1,
1
] | alex<agm002324253> | Cmcm | Rh-Yb-Zn | 0 | null | null | -0.000108 | 3,953.703319 | 78.264931 |
[
[
0,
0,
0
],
[
-1.3355554516278893e-16,
2.181127575,
2.181127575
],
[
1.6353348949999997,
2.181127575,
2.336909273975751e-16
],
[
1.635334895,
0,
2.181127575
]
] | [
[
3.27066979,
0,
2.0027076446957228e-16
],
[
-2.6711109032557785e-16,
4.36225515,
2.6711109032557785e-16
],
[
0,
0,
4.36225515
]
] | [
70,
30,
45,
45
] | [
1,
1,
1
] | alex<agm002384732> | P4/mmm | Rh-Yb-Zn | 0.060017 | null | null | 0.000018 | 5,193.330707 | 155.05983 |
[
[
0,
0,
0
],
[
2.05625769,
-2.3297550798546838,
1.3450847224999998
],
[
2.0562576900000002,
-2.329755079854684,
4.0352541675
],
[
2.05625769,
-1.8543443671085355e-16,
2.690169445
],
[
9.510423671137754e-17,
-1.5531700532364563,
2.690169445
... | [
[
4.11251538,
0,
2.5181893982806304e-16
],
[
-2.8531271013413253e-16,
4.659510159709368,
2.690169445000001
],
[
2.8531271013413253e-16,
-4.659510159709368,
2.690169444999999
]
] | [
70,
30,
30,
30,
45,
45
] | [
1,
1,
1
] | alex<agm002246291> | P6/mmm | Rh-Yb-Zn | 0 | null | null | 0.000092 | 4,444.168095 | 97.214554 |
[
[
0,
0,
0
],
[
0,
0,
7.564954335387181
],
[
0,
0,
3.386720914612817
],
[
1.655087845,
1.655087845,
5.475837625
],
[
1.655087845,
1.655087845,
9.214448897888865
],
[
1.655087845,
1.655087845,
1.7372263521111353
]
] | [
[
3.31017569,
0,
2.0268980316869405e-16
],
[
-2.0268980316869405e-16,
3.31017569,
2.0268980316869405e-16
],
[
0,
0,
10.95167525
]
] | [
70,
70,
70,
30,
45,
45
] | [
1,
1,
1
] | alex<agm002384971> | P4/mmm | Rh-Yb-Zn | 0.041642 | null | null | 0.000208 | 4,276.687375 | 80.048325 |
[
[
-0.0010442957311219197,
1.7897446927377099,
9.968076228066602
],
[
1.7953963936086723,
3.4283443574637937,
4.484366968066602
],
[
0.002329180069883189,
4.488124311261955,
1.3294618087337695
],
[
1.7920229178076672,
0.7299647389395485,
6.81317106873377
... | [
[
3.58662282,
0,
2.1961730781309268e-16
],
[
-1.7922707221224496,
5.218089050201503,
3.378376797178276e-16
],
[
0,
0,
10.96741852
]
] | [
11,
11,
11,
11,
46,
46,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-10223 | Cmc2_1 | Na-Pd-S | 0 | 0.9448 | null | null | 4,334.188192 | 33.024284 |
[
[
0,
0,
0
],
[
4.02230161,
1.5677428618917795,
2.71541029
],
[
4.02230161,
-1.5677428618917804,
2.71541029
],
[
2.011150805,
-2.3516142928376693,
1.3577051449999997
],
[
2.0111508050000007,
-2.3516142928376698,
4.073115435
],
[
2.01... | [
[
4.02230161,
0,
2.4629493959458727e-16
],
[
-2.879896916552819e-16,
4.7032285856753395,
2.715410290000001
],
[
2.879896916552819e-16,
-4.7032285856753395,
2.715410289999999
]
] | [
70,
30,
30,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002246172> | P6/mmm | Rh-Yb-Zn | 0.082023 | null | null | 0.000002 | 5,313.166317 | 126.060005 |
[
[
-2.5460988244947527,
-1.5412111941878563,
-4.348581598776738
],
[
-1.6888673840224309,
-1.0223096184299332,
-0.6313926341393418
],
[
-4.660132339805765,
-2.820883486300158,
-3.4023895963240673
],
[
-3.7887975719045546,
-2.2934448475266183,
-6.63548901638... | [
[
-1.6072642942197302,
-3.071140063968315,
-0.9341819938448179
],
[
-3.4662948235810744,
0,
-0.9341819938448179
],
[
0,
0,
-6.89795773
]
] | [
3,
40,
16,
16
] | [
1,
1,
1
] | mp-1206759 | R3m | Li-S-Zr | 0.044278 | 0 | null | null | 2,036.197049 | 61.239902 |
[
[
-2.5359835384072866,
-1.5419544399185288,
-4.302288082373853
],
[
0,
0,
0
],
[
-1.2656350797014013,
-0.7695442816982482,
-2.159494213556417
],
[
-3.806331997113172,
-2.3143645981388095,
-6.445081951191289
]
] | [
[
-1.5984287559035648,
-3.0839088798370575,
-0.9803373873738531
],
[
-3.473538320911009,
0,
-0.9803373873738531
],
[
0,
0,
-6.64390139
]
] | [
3,
40,
16,
16
] | [
1,
1,
1
] | alex<agm002158906> | R-3m | Li-S-Zr | 0.010802 | null | null | 0.000016 | 2,036.197049 | 63.768848 |
[
[
1.8517437799999998,
1.85174378,
2.5562380350000002
],
[
0,
0,
0
],
[
1.8517437799999998,
1.85174378,
2.267732093018021e-16
],
[
0,
0,
2.556238035
]
] | [
[
3.70348756,
0,
2.267732093018021e-16
],
[
-2.267732093018021e-16,
3.70348756,
2.267732093018021e-16
],
[
0,
0,
5.11247607
]
] | [
3,
40,
16,
16
] | [
1,
1,
1
] | alex<agm002158903> | P4/mmm | Li-S-Zr | 0.075385 | null | null | -0.000002 | 2,036.197049 | 60.312084 |
[
[
0,
0,
-3.21056822
],
[
0,
0,
0
],
[
-1.7907080150000003,
-1.033865754500271,
-1.6025326530354598
],
[
-1.7907080150000003,
1.0338657545002705,
-4.818603786964539
]
] | [
[
-1.7907080150000005,
-3.1015972635008118,
-4.385969677554521e-16
],
[
-1.7907080149999997,
3.1015972635008118,
2.1929848387772606e-16
],
[
0,
0,
-6.42113644
]
] | [
3,
40,
16,
16
] | [
1,
1,
1
] | alex<agm002158905> | P-3m1 | Li-S-Zr | 0 | null | null | 0.00003 | 2,036.197049 | 76.608673 |
[
[
3.3094401371371056,
1.1573994802821734,
1.0963000912717535
],
[
2.823841984716301,
-2.3147989605643473,
2.3842605412513122e-17
],
[
1.4119209923581506,
-1.1573994802821734,
3.1875926699999995
],
[
0,
0,
0
],
[
2.3754361290220243,
0.0180004322... | [
[
0.9263228399373459,
-4.629597921128695,
2.0912925787282464
],
[
4.721361129495256,
0,
-2.0912925787282464
],
[
-0.9263228399373459,
4.629597921128695,
4.283892761271753
]
] | [
3,
3,
40,
40,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002158904> | I4_1/amd | Li-S-Zr | 0.032318 | null | null | 0.000018 | 2,036.197049 | 62.853203 |
[
[
-1.8283283445796967e-16,
2.9858867811562484,
2.3374219420106184
],
[
0,
0,
0
],
[
1.8191442799999997,
2.9858867811562484,
-0.9736724429893816
],
[
1.8191442799999997,
4.501950609693693,
3.529703583121619
],
[
-9.323825500794128e-17,
1.5226962... | [
[
3.63828856,
0,
2.2278092196892166e-16
],
[
-3.6566566891593933e-16,
5.971773562312497,
-1.9473448859787634
],
[
0,
0,
6.62218877
]
] | [
3,
40,
40,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1222722 | P2/m | Li-S-Zr | 0 | 0 | null | -0 | 1,988.915438 | 50.540539 |
[
[
1.8284848446654487,
1.2170192845230914,
9.6812957625
],
[
-1.3117079869738943e-9,
4.77169064833598,
3.2270985875000004
],
[
-4.370700820789996e-10,
1.5899598475593613,
5.545718063545011
],
[
1.828484843790811,
4.398750085299709,
11.999915238545011
],
... | [
[
3.65696969,
0,
2.239248112718694e-16
],
[
-1.828484846646259,
5.988709932859071,
3.8341422378178846e-16
],
[
0,
0,
12.90839435
]
] | [
3,
3,
40,
40,
40,
40,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003453687> | Cmcm | Li-S-Zr | 0.063828 | null | null | 0.000142 | 1,988.915438 | 59.611145 |
[
[
0,
0,
-9.67964887
],
[
0,
0,
-6.457433922492637
],
[
0,
0,
-12.901863817507362
],
[
0,
0,
0
],
[
-1.8238573700000003,
-1.0530045435329833,
-14.356920832003338
],
[
-1.8238573700000003,
1.053004543532983,
-5.002376907996659... | [
[
-1.8238573700000005,
-3.159013630598949,
-4.46716218054362e-16
],
[
-1.8238573699999996,
3.159013630598949,
2.23358109027181e-16
],
[
0,
0,
-19.35929774
]
] | [
3,
40,
40,
40,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002158916> | P-3m1 | Li-S-Zr | 0.01809 | null | null | 0.000017 | 1,972.692351 | 32.675617 |
[
[
-2.3824937337828824e-16,
3.890907542389638,
1.5059345534729838
],
[
-1.63037782989164e-16,
2.662609057610362,
7.544530916527017
],
[
-3.7605795194562104e-17,
0.614149242389638,
3.019298181527017
],
[
-3.636813611728901e-16,
5.939367357610362,
6.031167288... | [
[
3.45073753,
0,
2.112967335406072e-16
],
[
-4.0128715636745225e-16,
6.5535166,
4.0128715636745225e-16
],
[
0,
0,
9.05046547
]
] | [
11,
11,
11,
11,
46,
46,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003398108> | Pbam | Na-Pd-S | 0.032356 | null | null | -0 | 4,334.188192 | 37.671814 |
[
[
6.28883429981275,
6.230906524604267,
0.28587474561220305
],
[
3.1191359848127496,
1.5706771625519502,
6.036463678311386
],
[
3.248741589032885,
5.684497255927298,
6.221913092858829
],
[
0.07904327403288496,
7.264690166134146,
4.272000512383739
],
[
... | [
[
6.33939663,
0,
3.881760895727509e-16
],
[
-4.777092245378034e-16,
7.801583687156217,
-1.6522956760764116
],
[
0,
0,
7.9746341
]
] | [
3,
3,
40,
40,
40,
40,
40,
40,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003575756> | Cmc2_1 | Li-S-Zr | 0.090812 | null | null | 0.000026 | 1,972.692351 | 56.705574 |
[
[
-1.7337747230555967,
2.8272437117184733e-33,
0.5027113023653467
],
[
-2.6733973271392357,
-1.52382728029873,
-2.737903960660668
],
[
-0.7941521189719583,
1.5238272802987296,
-2.73890971460864
],
[
-2.027496883183301,
2.3353965420975493,
-0.51029169644251... | [
[
-3.4675494461111933,
0,
1.0054226047306933
],
[
-0.5874443202554083,
4.6707930841950995,
-2.0260059976157234
],
[
0.5874443202554083,
-4.6707930841950995,
-4.456230282384277
]
] | [
3,
40,
40,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003418339> | Immm | Li-S-Zr | 0.066333 | null | null | 0.000001 | 2,099.949577 | 81.409538 |
[
[
1.4274710221813762,
0.4579844050915736,
5.319673032365993
],
[
0.2875164556115831,
3.9779610993683288,
-0.9935043294600513
],
[
3.14844671885709,
4.875439356045515,
-3.172229956121012
],
[
4.288401285426883,
1.3554626617687595,
3.140947405705033
],
[... | [
[
6.303162350880773,
0,
-1.1381461812184896
],
[
-1.7272446098423064,
5.333423761137088,
-3.1400282525365295
],
[
0,
0,
6.42561751
]
] | [
3,
3,
3,
3,
40,
40,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003433010> | C2/c | Li-S-Zr | 0 | null | null | -0 | 1,945.751884 | 47.503189 |
[
[
1.8549231228790248e-16,
4.5918458479520226,
-3.884062926839958e-16
],
[
-1.1050636777755847,
8.40229367570598,
1.914026510490765
],
[
2.16461698060772e-8,
11.52788581772284,
3.749226324760263e-8
],
[
-1.1050636777755847,
8.40229367570598,
-1.914026435506... | [
[
2.164616891500111,
6.122461130602694,
3.749226435000001
],
[
2.164616891500111,
6.122461130602694,
-3.7492264349999993
],
[
-4.329233783000221,
6.122461130602694,
0
]
] | [
3,
40,
40,
40,
40,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003671470> | F-43m | Li-S-Zr | 0 | null | null | -0.000018 | 1,964.491205 | 34.31786 |
[
[
-0.2755785593782482,
3.738445568567422,
0.940435109737868
],
[
3.572248398454382,
0,
1.3690767838846936
],
[
0,
0,
3.893210185
],
[
0,
0,
0
],
[
6.544633989683994,
1.4605508685101947,
9.309907796016988
],
[
0.04870568846827367,
... | [
[
7.144496796908764,
0,
2.738153567769387
],
[
-0.5511571187564964,
7.476891137134844,
1.880870219475736
],
[
0,
0,
7.78642037
]
] | [
55,
55,
55,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1206693 | P-1 | Au-Cs-F | 0.081586 | 0.9832 | null | 0.000002 | 3,889.465986 | 23.528484 |
[
[
-2.0198410362884163,
-1.427135283369293,
-3.486683991962008
],
[
-6.050094518959917,
-4.274744002425527,
-10.476416946449627
],
[
-4.034967777624167,
-2.8509396428974108,
-6.981550469205817
],
[
0,
0,
0
],
[
-5.168422601273525,
-1.24344091743... | [
[
-2.020612943735063,
-5.7018792857948215,
-3.4853443042058174
],
[
-6.049322611513271,
0,
-3.4853443042058174
],
[
0,
0,
-6.99241233
]
] | [
55,
55,
55,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002271183> | Fm-3m | Au-Cs-F | 0.076908 | null | null | 0.008292 | 3,889.465986 | 20.818409 |
[
[
0.001224806115576204,
3.2041259186332383,
2.9499416523907382
],
[
3.20194007,
3.2020657735558475,
0.0005151832747634412
],
[
6.402655333884423,
3.2000056284784573,
8.848746074158788
],
[
3.2007152638844234,
0.0020601450773903613,
8.848255149115976
],
... | [
[
6.40388014,
0,
3.9212456577871523e-16
],
[
-3.921399600244462e-16,
6.404131547111695,
0.0010303665495264903
],
[
0,
0,
11.79765736
]
] | [
55,
55,
55,
55,
55,
55,
79,
79,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003574280> | P4/mnc | Au-Cs-F | 0.021899 | null | null | 0 | 3,889.465986 | 23.077221 |
[
[
4.039035908993037,
5.0591784033746245,
3.5158911233931134
],
[
6.267908834448315,
2.257757708205981,
7.957690492912199
],
[
1.9476547420433636,
2.0829926891808785,
1.2474101833832376
],
[
5.5176003529876745,
6.681767521606516,
7.198093467694834
],
[
... | [
[
6.994332386593671,
0,
3.0318872158250025
],
[
3.3126123568476817,
7.316936111580605,
0.39987527048030974
],
[
0,
0,
8.04181913
]
] | [
55,
55,
79,
79,
79,
79,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-554737 | C2/c | Au-Cs-F | 0 | 1.7962 | null | -0.000001 | 2,107.898304 | 20.081688 |
[
[
-1.7405458180099107,
1.341523468897539,
-4.428570173876995
],
[
-3.544738149468399,
-1.3415234688975393,
-1.2566262594624942
],
[
-3.2460586871051285,
3.0325686727404513,
-0.49667903668520363
],
[
0,
0,
0
],
[
-2.9023537397012764,
1.305223621... | [
[
-5.28528396747831,
0,
2.077257116660511
],
[
-1.2068334067319473,
6.065137345480903,
-3.0706151900309178
],
[
1.2068334067319473,
-6.065137345480903,
-4.691838359969083
]
] | [
55,
55,
79,
79,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-572767 | Immm | Au-Cs-F | 0.016767 | 2.4472 | null | -0.000003 | 2,730.927695 | 22.143261 |
[
[
3.4148485175054515,
-2.0456903743911092,
3.5432396649999993
],
[
2.3782182624945483,
2.04569037439111,
3.543239665
],
[
0,
0,
0
],
[
1.878936126783467e-16,
-3.0685355615866636,
5.3148594975
],
[
0,
0,
3.543239665
],
[
-1.878936126... | [
[
5.79306678,
0,
3.5472303446869323e-16
],
[
-3.7578722535669346e-16,
6.137071123173329,
3.5432396650000015
],
[
3.7578722535669346e-16,
-6.137071123173329,
3.543239664999999
]
] | [
11,
11,
46,
46,
46,
46,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003434841> | P-3m1 | Na-Pd-S | 0.006433 | null | null | -0 | 5,452.63502 | 25.702919 |
[
[
6.109780104262404,
5.517750961853927,
11.35655398837707
],
[
2.3519066179242456,
4.042037902211413,
2.697510547977977
],
[
0.7070352404165552,
1.1690125673794685,
8.373238661196146
],
[
7.754651481770094,
8.390776296685871,
5.680825875158903
],
[
... | [
[
5.781733350653479,
0,
1.6755925109750411
],
[
2.679953371533171,
9.55978886406534,
1.5655653753800067
],
[
0,
0,
10.81290665
]
] | [
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
9
] | [
1,
1,
1
] | alex<agm003665064> | C2/m | Au-Cs-F | 0.035488 | null | null | 0.000095 | 3,683.158181 | 12.523704 |
[
[
-6.040191414141985,
-3.660264372480901,
-4.025862002900523
],
[
-4.758702782774583,
-2.88370170094846,
-8.725601851201942
],
[
-3.2418081300383577,
-1.9644865513726257,
-5.562771369686924
],
[
-2.157529565546408,
-1.3074301888602498,
-0.8133619130643741
... | [
[
-2.049991448176816,
-3.926353675154409,
-1.2077478180164847
],
[
-4.429302215924831,
0,
-1.2077478180164847
],
[
0,
0,
-8.72589982
]
] | [
55,
55,
79,
9
] | [
1,
1,
1
] | alex<agm005107032> | R3m | Au-Cs-F | 0.061665 | null | null | -0 | 3,778.374317 | 18.263958 |
[
[
4.314034048438789,
3.5118088752459347,
-2.7381691876791745
],
[
3.7413690562998148,
-5.1034350208784485,
-1.8643733712139392
],
[
2.5341859120383106,
2.387439218448773,
1.1061923275228223
],
[
3.51028591493402,
-0.7958130728162579,
-2.6403731808684485
... | [
[
3.0280749103229203,
6.36650458253006,
3.0683617049756045
],
[
4.021862555532548,
-6.36650458253006,
1.5519996189050256
],
[
0,
0,
-7.68872303
]
] | [
55,
55,
55,
55,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003262310> | I-42d | Au-Cs-F | 0.053175 | null | null | 0.000023 | 3,778.374317 | 18.411909 |
[
[
-1.5280151038644554,
-0.9290287751038494,
-3.1294296481145705
],
[
-4.993535843325785,
-3.0360553872991303,
-7.936598950810315
],
[
0,
0,
0
],
[
-3.26077547359512,
-1.9825420812014898,
-5.533014299462443
]
] | [
[
-2.0553956074980384,
-3.9650841624029796,
-1.2598060894624428
],
[
-4.466155339692202,
0,
-1.2598060894624428
],
[
0,
0,
-8.54641642
]
] | [
55,
55,
79,
9
] | [
1,
1,
1
] | alex<agm003613664> | R-3m | Au-Cs-F | 0.05231 | null | null | -0 | 3,778.374317 | 19.357958 |
[
[
1.4716555610618995,
1.6276440933534753,
4.644361333484016
],
[
3.0663891534537293,
-1.627644093353475,
1.797406445655804
],
[
0,
0,
0
],
[
0.6121795258957011,
0.677067661591338,
1.931962169823826
],
[
3.925865188619928,
-0.6770676615913376,
... | [
[
0.4556476504741263,
-4.515111853493847,
1.4379671108601795
],
[
4.538044714515629,
0,
-1.4379671108601795
],
[
-0.4556476504741263,
4.515111853493847,
6.441767779139821
]
] | [
55,
55,
79,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm001079574> | I4/mmm | Au-Cs-F | 0.077612 | null | null | 0.000525 | 3,537.350949 | 32.911331 |
[
[
-0.8435328965857867,
4.285200900620481,
5.701662168536671
],
[
5.531396390958669,
1.575211495673842,
4.301837828142733
],
[
1.5880383007428667,
0.11811869538174785,
7.003401196584
],
[
3.099825193630016,
5.742293700912573,
3.000098800095401
],
[
... | [
[
1.8760369039531883,
-8.334164410477465,
4.003302396488599
],
[
8.542705126940966,
0,
-4.003302396488599
],
[
-1.8760369039531883,
8.334164410477465,
7.113050073511402
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003566078> | I4/mcm | Au-Cs-F | 0.016817 | null | null | 0.000028 | 3,614.61799 | 17.179258 |
[
[
-3.2059120172475186,
13.866721372188964,
5.198331713771111e-8
],
[
3.001258128694034e-8,
9.332877075178432,
5.198331602748808e-8
],
[
1.6029560536426342,
13.86672137218896,
2.7764013272091415
],
[
1.6029560536426346,
13.866721372188962,
-2.77640122324250... | [
[
3.001258229425976,
8.488840184476153,
5.198331740000001
],
[
3.001258229425976,
8.488840184476153,
-5.1983317399999995
],
[
-6.002516458851951,
8.488840184476153,
0
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
79,
9
] | [
1,
1,
1
] | alex<agm003680520> | F-43m | Au-Cs-F | 0.049066 | null | null | -0.00001 | 3,576.451086 | 11.747427 |
[
[
0.560021109175579,
-2.3622139545789325,
2.8896554644104544
],
[
3.288653715208371,
0.4709030258343357,
1.7907524099835441
],
[
5.110213751026545,
2.3622139545789334,
11.189828311162636
],
[
2.3815811449937523,
-0.47090302583433513,
12.288731365589546
]... | [
[
0.21296964813654012,
-5.6662339608265375,
1.0989030544269105
],
[
5.6702348602021235,
0,
-1.0989030544269105
],
[
-0.21296964813654012,
5.6662339608265375,
14.07948377557309
]
] | [
55,
55,
55,
55,
55,
55,
79,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003347567> | I4/mmm | Au-Cs-F | 0.021188 | null | null | 0.000826 | 3,808.721781 | 9.152254 |
[
[
-7.191619435814149,
1.6097163042635372,
-1.3648183118935562
],
[
-2.1090365278351606,
-6.1611277434887235,
-5.808098963479175
],
[
-8.287911671071225,
1.472150581793127,
-6.995752634508793
],
[
-1.0787358846847837,
-1.472150581793127,
-2.664824219486259
... | [
[
-9.366647555756009,
0,
0.24847450600494753
],
[
-0.12090876142799531,
8.339024749943365,
-4.557850915604477
],
[
0.12090876142799531,
-8.339024749943365,
-5.351200444395523
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
9
] | [
1,
1,
1
] | alex<agm003514499> | C2/m | Au-Cs-F | 0.043986 | null | null | -0.000001 | 4,607.781404 | 8.742402 |
[
[
-3.474267699293971,
0,
0.2308718312675015
],
[
-7.157912043575746,
0,
0.8703512205206092
],
[
-3.9870674022047377,
-2.7487027202909706,
-2.04303317081641
],
[
0,
0,
0
],
[
-1.3290224664873085,
-2.7487027202909706,
-0.6810110562634378
],... | [
[
-5.316089871434858,
0,
-2.724044229105944
],
[
-2.6580449329746165,
-5.497405440581941,
-1.3620221125268754
],
[
-5.316089871434858,
0,
3.8252672808940558
]
] | [
11,
11,
46,
46,
46,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003342484> | Fmmm | Na-Pd-S | 0.036877 | null | null | 0.000075 | 5,481.929684 | 26.555437 |
[
[
7.3685819831063535,
0.3432711487651535,
2.9758926856012127
],
[
7.162072201297714,
2.936791051970075,
6.577639073865732
],
[
6.768547023760053,
3.3444219829247106,
11.089485794369926
],
[
5.9152382655049855,
8.16094175792471,
6.5511629404582665
],
[
... | [
[
8.455856859510027,
0,
-0.19330876011453935
],
[
-5.89853552548368e-16,
9.63303955,
5.89853552548368e-16
],
[
0,
0,
11.95374125
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003493328> | P2_1/c | Au-Cs-F | 0.043195 | null | null | 0.00035 | 4,302.033045 | 11.207293 |
[
[
-3.5595352671234703,
-2.4318978414418426,
-5.907937457820588
],
[
0,
0,
0
],
[
-5.500527524311312,
-1.85871240927256,
-8.553294553154245
],
[
-3.7311945373806625,
-4.448460654014019,
-8.553294553154243
],
[
-0.6079201427543514,
-0.41533502886... | [
[
-1.8980467110657542,
-4.863795682883685,
-2.7275622028205886
],
[
-5.221023823181187,
0,
-2.7275622028205886
],
[
0,
0,
-6.36075051
]
] | [
55,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003764206> | R-3m | Au-Cs-F | 0.003104 | null | null | 0 | 2,625.554235 | 18.348576 |
[
[
-2.3110273507412096,
-2.674658705314919,
-2.034591118610529
],
[
0,
0,
0
],
[
-1.1702608493217022,
-1.354396938280989,
-4.665190378732204
],
[
-0.6470926824352727,
-4.9218520120307065,
-0.569689936459822
],
[
0.1538185277361995,
-3.9949204723... | [
[
0.7844787182901498,
-5.349317410629838,
0.6906423813894708
],
[
-5.406533419772569,
0,
0.6906423813894708
],
[
0,
0,
-5.450467
]
] | [
55,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002148351> | R-3m | Au-Cs-F | 0 | null | null | 0.000021 | 2,625.554235 | 24.102592 |
[
[
-3.211172239422614,
-1.9949589252348123,
-5.17425261142829
],
[
0,
0,
0
],
[
-0.6337101985046417,
-0.3936960468823909,
-5.466699978754092
],
[
-5.788634280340587,
-3.5962218035872335,
-4.881805244102488
]
] | [
[
-1.9717927179773123,
-3.9899178504696247,
-1.5020918314282907
],
[
-4.450551760867916,
0,
-1.5020918314282907
],
[
0,
0,
-7.34432156
]
] | [
55,
79,
9,
9
] | [
1,
1,
1
] | alex<agm002762759> | R-3m | Au-Cs-F | 0.051112 | null | null | 0 | 2,858.068996 | 19.49556 |
[
[
0,
0,
-6.666993885
],
[
0,
0,
0
],
[
-2.370338445,
1.368515539291269,
-10.0004908275
],
[
-2.3703384450000002,
-1.3685155392912691,
-3.333496942500002
],
[
-2.370338445,
1.368515539291269,
-7.988515145714118
],
[
-2.370338445,
... | [
[
-2.3703384450000002,
-4.105546617873807,
-5.805654779130329e-16
],
[
-2.3703384449999993,
4.105546617873807,
2.9028273895651644e-16
],
[
0,
0,
-13.33398777
]
] | [
55,
55,
79,
79,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003618491> | P6_3/mmc | Au-Cs-F | 0.049524 | null | null | 0.000032 | 2,858.068996 | 23.804899 |
[
[
-5.6149203234300025,
-1.7958436217611986,
-3.2293506687572036
],
[
-3.304410234259937,
-5.848966627606653,
-0.2270521679088649
],
[
-1.021179479338978,
-4.32055069808872,
-5.0468925518889645
],
[
-2.7016569874497667,
-8.214794564953678,
-3.88480275322375... | [
[
1.8665983358837774,
-10.010638186714877,
1.5967225990095193
],
[
-10.183175646763548,
0,
1.5967225990095193
],
[
0,
0,
-10.30759862
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
79,
79,
9
] | [
1,
1,
1
] | alex<agm003688683> | R-3 | Au-Cs-F | 0.039103 | null | null | -0.000002 | 3,855.789711 | 12.34171 |
[
[
1.822597175109435,
-1.307255398852336,
3.3152512350196433
],
[
3.7620297594175156,
1.3422573701804532,
0.25912455067144835
],
[
5.546322287636529,
-0.017327071645897953,
3.504700811876484
],
[
-0.11257039699787039,
4.086005836781732,
3.4709300501618587
... | [
[
1.6801404650806193,
-5.299025538065581,
3.0561266843481953
],
[
5.55900563369678,
0,
-3.0561266843481953
],
[
-1.6801404650806193,
5.299025538065581,
3.527771515651805
]
] | [
55,
55,
79,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003469385> | I4mm | Au-Cs-F | 0.066369 | null | null | -0.000002 | 3,467.955947 | 21.45356 |
[
[
1.4924509209759305,
1.8026721874936693,
3.2700388227320696
],
[
3.681283982257197,
3.700942380172279,
0.2132856998903889
],
[
0,
0,
0
],
[
1.1256574623176383,
1.63356526440799,
0.00048249166709231643
],
[
1.132098054115008,
4.630303319586833,... | [
[
5.161906530453218,
0,
0.020088670976541958
],
[
0.011828372779908995,
5.503614567665948,
-3.0393725283540833
],
[
0,
0,
6.50260838
]
] | [
55,
55,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002390135> | C2/m | Au-Cs-F | 0 | null | null | 0.005413 | 3,403.132608 | 20.69496 |
[
[
1.1102230246251565e-16,
12.0089122833301,
1.5543122344752192e-15
],
[
5.049376531925217e-16,
4.002970761110031,
1.1698224477996176e-15
],
[
0,
0,
0
],
[
-1.0516271901068395,
9.49316695702947,
-1.8214717238859395
],
[
1.05162719010684,
6.51871... | [
[
1.8870185133815869,
5.337294348146711,
3.268411940000001
],
[
1.8870185133815869,
5.337294348146711,
-3.268411939999999
],
[
-3.7740370267631733,
5.337294348146711,
0
]
] | [
55,
55,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002148336> | Fm-3m | Au-Cs-F | 0.012738 | null | null | 0.005073 | 3,403.132608 | 21.921289 |
[
[
-5.907160413912695e-10,
1.9106583672226074,
-0.5106303640328562
],
[
1.9448174685014945,
4.846884084602487,
5.66584746707596
],
[
1.944817488683298,
2.473977985650095,
2.104052307158043
],
[
1.928140170986569e-8,
0.5394235968093434,
2.827883211106555
]... | [
[
3.88963494,
0,
2.381714489561354e-16
],
[
-1.9448174720892217,
6.757542451825095,
-3.128494536956897
],
[
0,
0,
8.28371164
]
] | [
11,
11,
46,
46,
46,
46,
46,
46,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003425939> | C2/m | Na-Pd-S | 0.083032 | null | null | -0.00004 | 6,471.052654 | 63.868965 |
[
[
3.9566366899999994,
6.54779308689525,
0.007952882555747172
],
[
-4.0093669226727175e-16,
6.54779308689525,
0.00795288255574695
],
[
1.9783183449999997,
2.7773660114346823,
2.280849213002524
],
[
5.934955035,
5.051429191566066,
4.148372324240348
],
[
... | [
[
7.91327338,
0,
4.845482457797479e-16
],
[
-4.79375449326751e-16,
7.828795203000749,
-1.5519098727571279
],
[
0,
0,
7.98113141
]
] | [
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003415522> | Cmcm | Au-Cs-F | 0.04232 | null | null | 0 | 3,467.918648 | 14.515041 |
[
[
-1.8152629392575502e-16,
2.964549355,
1.8152629392575502e-16
],
[
0,
0,
2.964549355
],
[
2.964549355,
0,
1.8152629392575502e-16
],
[
2.964549355,
2.964549355,
2.9645493550000004
],
[
0,
0,
0
]
] | [
[
5.92909871,
0,
3.6305258785151004e-16
],
[
-3.6305258785151004e-16,
5.92909871,
3.6305258785151004e-16
],
[
0,
0,
5.92909871
]
] | [
55,
55,
55,
79,
9
] | [
1,
1,
1
] | alex<agm002469414> | Pm-3m | Au-Cs-F | 0.063026 | null | null | 0.000004 | 4,258.730808 | 22.103258 |
[
[
1.4307010799999995,
6.73575349420393,
7.217243128798694
],
[
1.4307010799999997,
4.66179219356111,
-0.2493869586566536
],
[
1.4307010799999997,
2.1901678526692283,
6.471441660225474
],
[
4.292103239999999,
3.7712513341681095,
9.299204407427682
],
[
... | [
[
5.72280432,
0,
3.5042069963173227e-16
],
[
-4.661717581322336e-16,
7.613162561757407,
-2.709364980504132
],
[
0,
0,
12.05096088
]
] | [
55,
55,
55,
55,
55,
55,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003707459> | Ama2 | Au-Cs-F | 0.058734 | null | null | -0.000005 | 4,258.730808 | 12.915622 |
[
[
3.569996484302747,
6.997422047719493,
14.33369633167845
],
[
3.569996484302747,
6.997422047719493,
10.24686585832155
],
[
-3.569796725617891e-8,
5.1553434496992265,
6.447137990047999
],
[
-3.569796725617891e-8,
5.1553434496992265,
1.746382739952002
],
... | [
[
7.13999304,
0,
4.37198481118519e-16
],
[
-3.5699965199969412,
7.8930209562345395,
5.304454623834186e-16
],
[
0,
0,
16.38704146
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003473041> | Cmcm | Au-Cs-F | 0.055418 | null | null | 0.001488 | 4,092.587389 | 10.462263 |
[
[
6.937611494872042,
7.079389556487828,
6.162430262755885
],
[
2.6394051548720414,
7.549285518275833,
5.576880077551361
],
[
7.072305590446397,
9.825301754165352,
2.520356508933772
],
[
2.774099250446397,
4.588283843591109,
9.046347487421118
],
[
7... | [
[
8.59641268,
0,
5.26378463635586e-16
],
[
-6.764064621331296e-16,
11.04655583314422,
-2.4503529025745037
],
[
0,
0,
11.31506187
]
] | [
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
79,
79,
79,
79,
79,
79,
9,
9
] | [
1,
1,
1
] | alex<agm003571549> | Cmc2_1 | Au-Cs-F | 0.02907 | null | null | -0.000046 | 3,839.888601 | 11.273504 |
[
[
0.8853790565857543,
0.9643995836494387,
3.031796716584699
],
[
4.67062298473703,
-0.9643995836494373,
5.669628072476839
],
[
-0.23691400498252538,
2.767880312628941,
9.51268759953077
],
[
2.7780010206613928,
-9.13787761001281e-34,
-0.8112628104692303
]... | [
[
0.4738280099650507,
-5.535760625257881,
1.6225256209384606
],
[
5.5560020413227855,
0,
-1.6225256209384606
],
[
-0.4738280099650507,
5.535760625257881,
8.701424789061539
]
] | [
55,
55,
55,
55,
79,
79,
9
] | [
1,
1,
1
] | alex<agm001079000> | I4/mmm | Au-Cs-F | 0.021234 | null | null | 0.000608 | 3,824.200711 | 11.332539 |
[
[
7.418618355725871e-16,
5.689587719671308,
1.862105514227608e-16
],
[
2.220446049250313e-16,
8.534381579506961,
7.771561172376096e-16
],
[
0,
0,
0
]
] | [
[
1.3410486862450959,
3.7930584797808717,
2.3227644600000006
],
[
1.3410486862450959,
3.7930584797808717,
-2.3227644599999997
],
[
-2.6820973724901913,
3.7930584797808717,
0
]
] | [
62,
28,
83
] | [
1,
1,
1
] | mp-1206682 | F-43m | Bi-Ni-Sm | 0 | 0.2493 | null | 0.000026 | 4,325.101224 | 76.147591 |
[
[
-1.4001248316482535e-16,
2.286577375,
2.166856220816003
],
[
2.286577375,
0,
7.322015339183998
],
[
2.286577375,
2.286577375,
2.800249663296507e-16
],
[
0,
0,
0
],
[
2.286577375,
0,
1.4162053505681649
],
[
-1.4001248316482535e-16,... | [
[
4.57315475,
0,
2.800249663296507e-16
],
[
-2.800249663296507e-16,
4.57315475,
2.800249663296507e-16
],
[
0,
0,
9.48887156
]
] | [
62,
62,
28,
28,
83,
83,
83,
83
] | [
1,
1,
1
] | alex<agm002227412> | P4/nmm | Bi-Ni-Sm | 0.038281 | null | null | 0.000042 | 4,883.335816 | 63.14592 |
[
[
0,
0,
0
],
[
1.172138027902035,
-1.0216612895690658,
3.172099264999999
],
[
2.9531429364658677,
1.0216612895690662,
1.6477463722983703
],
[
1.3813260350232057,
1.584776472508586,
3.738214438140968
],
[
2.7439549293446968,
-1.5847764725085858,... | [
[
0.5632711472402377,
-4.086645158276265,
1.5243528927016292
],
[
4.125280964367903,
0,
-1.5243528927016292
],
[
-0.5632711472402377,
4.086645158276265,
4.8198456372983705
]
] | [
57,
47,
47,
32,
32
] | [
1,
1,
1
] | mp-1207066 | I4/mmm | Ag-Ge-La | 0 | 0 | null | -0.000004 | 2,017.655113 | 65.878036 |
[
[
2.4935815,
0.9087344902054905,
1.587843605251096
],
[
2.4935815,
3.6139043505702113,
3.176760803703635
],
[
2.4935815,
0.9084087244297793,
4.725135706748379
],
[
-2.7745205370501203e-16,
4.531135898092168,
-1.5210062434243377
],
[
-1.116113588189... | [
[
4.987163,
0,
3.0537566023880554e-16
],
[
-3.324566787470293e-16,
5.429429595186115,
-3.1073022043755474
],
[
0,
0,
6.29710761
]
] | [
3,
12,
12,
12,
12,
12,
12,
31
] | [
1,
1,
1
] | mp-1021278 | Amm2 | Ga-Li-Mg | 0.053431 | 0 | null | 0.000008 | 1,054.144831 | 37.860222 |
[
[
0,
0,
-6.03045215872
],
[
0,
0,
-2.0444041587200004
],
[
-2.3025121,
1.3293559807473714,
-3.929812834816001
],
[
-2.3025121,
-1.3293559807473712,
-7.915860834816
],
[
-2.3025121,
1.3293559807473714,
-0.3269276848640006
],
[
-2.302... | [
[
-2.3025121000000004,
-3.988067942242112,
-5.639528146526101e-16
],
[
-2.3025120999999995,
3.988067942242112,
2.8197640732630506e-16
],
[
0,
0,
-7.972096
]
] | [
57,
57,
47,
47,
32,
32
] | [
1,
1,
1
] | mp-20568 | P6_3mc | Ag-Ge-La | 0 | 0 | null | 0 | 2,252.998242 | 63.183872 |
[
[
2.233626505,
0,
1.3205354941067002
],
[
-1.3677017749194698e-16,
2.233626505,
5.9987440958933
],
[
2.233626505,
2.233626505,
3.6596397950000004
],
[
0,
0,
3.659639795
],
[
-1.3677017749194698e-16,
2.233626505,
1.8824892870440482
],
[
... | [
[
4.46725301,
0,
2.7354035498389396e-16
],
[
-2.7354035498389396e-16,
4.46725301,
2.7354035498389396e-16
],
[
0,
0,
7.31927959
]
] | [
57,
57,
47,
47,
32,
32
] | [
1,
1,
1
] | alex<agm003066726> | P4/nmm | Ag-Ge-La | 0.095511 | null | null | 0.000238 | 2,252.998242 | 57.414555 |
[
[
0,
0,
-4.03128229
],
[
0,
0,
0
],
[
-2.2871137100000003,
-1.320465716135784,
-2.0156411450000014
],
[
-2.2871137100000003,
1.3204657161357836,
-6.046923435
],
[
-2.2871137100000003,
-1.320465716135784,
-6.046923435
],
[
-2.2871137... | [
[
-2.2871137100000003,
-3.961397148407351,
-5.601812968475056e-16
],
[
-2.2871137099999994,
3.961397148407351,
2.800906484237528e-16
],
[
0,
0,
-8.06256458
]
] | [
57,
57,
47,
47,
32,
32
] | [
1,
1,
1
] | alex<agm002277596> | P6_3/mmc | Ag-Ge-La | 0.045616 | null | null | -0.000199 | 2,252.998242 | 63.134552 |
[
[
3.6673265374227495,
1.3385394842430036,
3.073124638366188
],
[
2.6120846377679263,
4.322567763710255,
5.732905867896651
],
[
3.8393145073024697,
4.605845267956329,
2.6396217872498666
],
[
2.4400966678882066,
1.055261979996931,
6.166408719012972
],
[
... | [
[
4.222003525903429,
0,
1.6750381495893465
],
[
2.057407649287247,
5.661107247953259,
0.9726052766734924
],
[
0,
0,
6.15838708
]
] | [
57,
57,
47,
47,
32,
32
] | [
1,
1,
1
] | alex<agm003066725> | C2/m | Ag-Ge-La | 0.09017 | null | null | 0.000005 | 2,252.998242 | 63.869892 |
[
[
2.633921445981252,
1.3216507737513166,
2.2891662900000003
],
[
0.6134592062907149,
-1.3216507737513175,
2.28916629
],
[
0.7726579179284185,
-4.7668614537193623e-51,
4.731165230134481e-17
]
] | [
[
4.02003853,
0,
2.4615636591067656e-16
],
[
-2.4278330844977593e-16,
3.964952321253951,
2.2891662900000007
],
[
2.4278330844977593e-16,
-3.964952321253951,
2.289166289999999
]
] | [
57,
47,
32
] | [
1,
1,
1
] | alex<agm001258470> | P3m1 | Ag-Ge-La | 0.095954 | null | null | 0.002085 | 2,252.998242 | 64.037651 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.