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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
3.9852132156562328,
-0.007796976351767874,
4.214859535605077
],
[
2.878071324319778,
1.034301630404613,
1.4277903758542094
],
[
1.1971007144919978,
-0.9366226243394944,
3.0135274516611052
],
[
1.3872882345847681,
1.6265840781977647,
3.4922969528851273
... | [
[
0.629921915733152,
-3.941848509488216,
1.5857370758068958
],
[
3.9918631353887113,
0,
-1.5857370758068958
],
[
-0.629921915733152,
3.941848509488216,
4.231599744193105
]
] | [
57,
14,
14,
14,
77
] | [
1,
1,
1
] | mp-2914 | I4mm | Ir-La-Si | 0 | 0 | null | 0 | 5,450.536307 | 119.71566 |
[
[
4.57621114,
2.371134316045529,
4.106925106960937
],
[
4.57621114,
0.11392424530264773,
2.803724265
],
[
4.57621114,
2.3711343160455294,
1.5005234230390638
],
[
2.28810557,
-0.7848693534595613,
4.2480149325043035
],
[
2.2881055700000004,
-3.28... | [
[
4.57621114,
0,
2.8021211624117303e-16
],
[
-2.9735605316711895e-16,
4.856192877393707,
2.803724265000001
],
[
2.9735605316711895e-16,
-4.856192877393707,
2.803724264999999
]
] | [
3,
3,
3,
3,
3,
3,
29,
32
] | [
1,
1,
1
] | alex<agm003762068> | P-6m2 | Cu-Ge-Li | 0.07069 | null | null | -0.000028 | 2,295.695938 | 33.146664 |
[
[
1.7581737049999997,
1.936359645,
1.9363596450000002
],
[
-1.1856783206236777e-16,
1.936359645,
1.1856783206236777e-16
],
[
0,
0,
1.936359645
],
[
1.758173705,
0,
1.0765709000866464e-16
]
] | [
[
3.51634741,
0,
2.1531418001732928e-16
],
[
-2.3713566412473554e-16,
3.87271929,
2.3713566412473554e-16
],
[
0,
0,
3.87271929
]
] | [
3,
29,
29,
32
] | [
1,
1,
1
] | alex<agm001212850> | P4/mmm | Cu-Ge-Li | 0.085674 | null | null | 0.000042 | 1,731.267268 | 87.722969 |
[
[
2.1269060436289697,
3.794350395854505,
5.152325555686371
],
[
-2.820526124448982e-10,
0.7805854329765437,
11.55142392068637
],
[
2.1269060436289697,
3.794350395854505,
1.246772809313631
],
[
-2.820526124448982e-10,
0.7805854329765437,
7.645871174313632
... | [
[
4.25381209,
0,
2.6047086800964064e-16
],
[
-2.126906046653083,
4.574935828831048,
3.089277274607369e-16
],
[
0,
0,
12.79819673
]
] | [
3,
3,
3,
3,
3,
3,
29,
29,
29,
29,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003329933> | Cmcm | Cu-Ge-Li | 0.096521 | null | null | 0.000001 | 1,891.95293 | 57.840137 |
[
[
3.8233579797870494,
1.565192154723559,
1.6588706537134945
],
[
1.7778437089534023,
4.27696444468665,
8.992322423427696
],
[
2.6155323230438796,
5.040171046932213,
5.989092802425223
],
[
5.020427840626044,
4.602592057097238,
5.050278690701037
],
[
... | [
[
3.9766741986818754,
0,
1.109210788893158
],
[
1.6245274900585762,
5.842156599410209,
1.8589131982480323
],
[
0,
0,
7.68306909
]
] | [
3,
3,
29,
29,
29,
29,
29,
29,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003410514> | C2/m | Cu-Ge-Li | 0.079479 | null | null | 0 | 1,724.152494 | 84.788971 |
[
[
-2.5710706390317207e-16,
4.198877,
4.198877
],
[
0,
0,
0
],
[
-1.6705840005585287e-16,
2.728270717274,
6.927147717274001
],
[
-3.471557277504913e-16,
5.669483282726,
1.4706062827260005
],
[
-9.004866384731918e-17,
1.470606282726,
2.728270... | [
[
3.248075,
0,
1.9888723260702697e-16
],
[
-5.142141278063441e-16,
8.397754,
5.142141278063441e-16
],
[
0,
0,
8.397754
]
] | [
73,
73,
73,
73,
73,
73,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5,
5,
5
] | [
1,
1,
1
] | mp-1189575 | P4/mbm | B-Co-Ta | 0.078333 | 0 | null | 0.000055 | 4,009.271157 | 265.837402 |
[
[
1.6908435049999997,
3.923676107344623,
1.0401343023446232
],
[
1.6908435049999997,
4.726949307655377,
3.9236761073446234
],
[
1.6908435049999997,
1.8434075026553773,
4.726949307655378
],
[
1.690843505,
1.0401343023446228,
1.8434075026553776
],
[
... | [
[
3.38168701,
0,
2.0706860862573415e-16
],
[
-3.5313202417008314e-16,
5.76708361,
3.5313202417008314e-16
],
[
0,
0,
5.76708361
]
] | [
73,
73,
73,
73,
27,
27,
5,
5,
5,
5
] | [
1,
1,
1
] | alex<agm002958556> | P4/mbm | B-Co-Ta | 0.048419 | null | null | 0.01905 | 4,383.453697 | 272.101715 |
[
[
0,
0,
0
],
[
1.4824167949999998,
-2.129785412743748e-16,
2.40369374
],
[
1.4824167949999998,
-2.081659841757628,
3.6055406099999994
],
[
1.4824167949999998,
2.0816598417576277,
3.6055406100000003
],
[
2.96483359,
1.3877732278384183,
2.403... | [
[
2.96483359,
0,
1.815436982999028e-16
],
[
-2.549298062122065e-16,
4.1633196835152555,
2.403693740000001
],
[
2.549298062122065e-16,
-4.1633196835152555,
2.403693739999999
]
] | [
73,
27,
27,
27,
5,
5
] | [
1,
1,
1
] | alex<agm002136940> | P6/mmm | B-Co-Ta | 0.047998 | null | null | -0.000248 | 3,661.740946 | 279.728577 |
[
[
2.29941258,
2.9111121997782488,
7.145211254263997
],
[
0.76647086,
0.24278375684489284,
1.3517851993643737
],
[
2.29941258,
0.6468420465096291,
3.6015235760857274
],
[
0.7664708599999999,
2.5070539101135125,
4.895472877542643
],
[
2.29941258,
... | [
[
3.06588344,
0,
1.8773121706774381e-16
],
[
-1.9312042940611548e-16,
3.1538959566231415,
-0.5664470663716298
],
[
0,
0,
9.06344352
]
] | [
73,
73,
27,
27,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | alex<agm002361635> | Cmcm | B-Co-Ta | 0 | null | null | 0.000005 | 4,012.041796 | 313.379211 |
[
[
0.8667572206539995,
5.565148779346,
2.349195779346
],
[
5.565148779346,
2.3491957793459997,
0.8667572206540004
],
[
4.082710220654,
4.082710220654,
4.0827102206540005
],
[
2.3491957793459997,
0.8667572206539998,
5.565148779346
],
[
4.242607403814... | [
[
6.431906,
0,
3.938406547658328e-16
],
[
-3.938406547658328e-16,
6.431906,
3.938406547658328e-16
],
[
0,
0,
6.431906
]
] | [
57,
57,
57,
57,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | mp-3555 | P2_13 | Ir-La-Si | 0 | 0 | null | 0 | 6,146.487109 | 100.370918 |
[
[
0,
0,
0
],
[
0.5727712528743294,
1.69223943,
2.04838471473907
],
[
1.057477426502067,
0,
3.7818248555048934
],
[
2.6863562294151078,
1.69223943,
3.3237152531592753
],
[
2.20165005578737,
0,
1.5902751123934513
],
[
1.39033139926024... | [
[
3.259127482289437,
0,
-0.911320282101655
],
[
-2.0723956013404415e-16,
3.38447886,
2.0723956013404415e-16
],
[
0,
0,
6.28342025
]
] | [
73,
27,
27,
27,
27,
5,
5
] | [
1,
1,
1
] | alex<agm003461645> | Cmmm | B-Co-Ta | 0.082404 | null | null | 0.03458 | 3,532.42741 | 247.41713 |
[
[
2.4502537125,
2.5707547941129,
1.852445452363601
],
[
0.8167512374999999,
1.0726012506182592,
6.058313417051784
],
[
2.4502537125,
3.0639958695039673,
7.163848929425325
],
[
0.8167512375,
0.5793601752271914,
0.7469099399900606
],
[
2.4502537125,
... | [
[
3.26700495,
0,
2.0004635774080293e-16
],
[
-2.230912159167087e-16,
3.6433560447311586,
-0.3360897305846146
],
[
0,
0,
8.2468486
]
] | [
73,
73,
27,
27,
27,
27,
5,
5,
5,
5
] | [
1,
1,
1
] | alex<agm003398657> | P2_1/m | B-Co-Ta | 0.059765 | null | null | -0.000001 | 3,838.620007 | 260.709167 |
[
[
0,
0,
0
],
[
0.897960439849649,
-0.7828722384831381,
2.4322304
],
[
2.2630293551132636,
0.782872238483138,
1.2652176911056543
],
[
2.088567411507882,
-1.2300766687266174,
0.7926672526995623
],
[
1.0724223834550308,
1.2300766687266178,
2.9... | [
[
0.43085196443568335,
-3.131488953932552,
1.1670127088943454
],
[
3.1609897949629127,
0,
-1.1670127088943454
],
[
-0.43085196443568335,
3.131488953932552,
3.697448091105654
]
] | [
73,
27,
27,
5,
5
] | [
1,
1,
1
] | alex<agm002254530> | I4/mmm | B-Co-Ta | 0 | null | null | -0.000124 | 3,838.620007 | 269.716187 |
[
[
4.85592,
-3.9170425057922302,
5.615765874853649
],
[
4.85592,
-6.266425283338862e-16,
4.523011090292698
],
[
4.85592,
-2.9048746564328893,
1.6771301648536507
],
[
2.4279600000000006,
-5.169723866622979,
2.984741466030809
],
[
2.42796,
-1.6521... | [
[
4.85592,
0,
2.9733934424578077e-16
],
[
-4.1772195083836933e-16,
6.821917162225119,
3.938635710000001
],
[
4.1772195083836933e-16,
-6.821917162225119,
3.9386357099999985
]
] | [
57,
57,
57,
12,
12,
12,
81,
81,
81
] | [
1,
1,
1
] | mp-11985 | P-62m | La-Mg-Tl | 0 | 0 | null | -0.000002 | 4,818.500888 | 34.862633 |
[
[
0,
0,
-3.926862975
],
[
0,
0,
0
],
[
-2.5324085149999997,
1.46208673783335,
-6.157448218085872
],
[
-2.5324085149999997,
1.46208673783335,
-1.6962777319141302
],
[
-2.5324085150000006,
-1.462086737833351,
-2.175614187820481
],
[
-... | [
[
-2.5324085150000006,
-4.386260213500052,
-6.202611964056505e-16
],
[
-2.5324085149999997,
4.386260213500052,
3.1013059820282523e-16
],
[
0,
0,
-7.85372595
]
] | [
57,
57,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003099819> | P-6m2 | La-Mg-Tl | 0.086625 | null | null | -0 | 4,818.500888 | 32.567505 |
[
[
0,
0,
-3.900271165
],
[
0,
0,
0
],
[
-2.52861703,
1.4598977229479724,
-1.9501355825
],
[
-2.5286170300000004,
-1.4598977229479724,
-5.8504067475
],
[
-2.52861703,
1.4598977229479724,
-5.8504067475
],
[
-2.5286170300000004,
-1.... | [
[
-2.5286170300000004,
-4.379693168843916,
-6.193325504117973e-16
],
[
-2.5286170299999995,
4.379693168843916,
3.0966627520589865e-16
],
[
0,
0,
-7.80054233
]
] | [
57,
57,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm002160801> | P6_3/mmc | La-Mg-Tl | 0.068971 | null | null | -0.000022 | 4,818.500888 | 35.112125 |
[
[
-2.74056167,
-1.5822640179052705,
-1.6793243850000004
],
[
-2.74056167,
1.5822640179052707,
-5.0379731549999995
],
[
0,
0,
0
],
[
0,
0,
-3.35864877
],
[
-2.74056167,
1.5822640179052707,
-1.679324385
],
[
-2.74056167,
-1.582264... | [
[
-2.7405616700000004,
-4.7467920537158115,
-6.71244015406285e-16
],
[
-2.7405616699999995,
4.7467920537158115,
3.356220077031425e-16
],
[
0,
0,
-6.71729754
]
] | [
57,
57,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003099803> | P6_3/mmc | La-Mg-Tl | 0.070625 | null | null | 0.000021 | 4,818.500888 | 36.719528 |
[
[
2.112222182441887,
0.48528209095198194,
1.516639184129818
],
[
3.122340883626407,
3.4054988197448157,
5.580244730860206
],
[
5.474295844881188,
5.698071321288787,
6.542860390920498
],
[
4.554113599763692,
3.057188941001508,
8.669405918188337
],
[
... | [
[
4.663742466375557,
0,
2.018058376052228
],
[
2.0285931446503116,
5.821972680851409,
1.709906283492239
],
[
0,
0,
6.39799465
]
] | [
57,
57,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003099813> | Imm2 | La-Mg-Tl | 0.095851 | null | null | 0.000029 | 4,818.500888 | 33.660557 |
[
[
-2.220446049250313e-16,
3.444026277250159,
8.46441956525723e-16
],
[
4.440892098500626e-16,
10.33207883175048,
5.551115123125783e-16
],
[
2.220446049250313e-16,
6.8880525545003195,
4.440892098500626e-16
],
[
0,
0,
0
]
] | [
[
1.6235295568188326,
4.592035036333546,
2.8120356800000006
],
[
1.6235295568188326,
4.592035036333546,
-2.8120356799999997
],
[
-3.2470591136376648,
4.592035036333546,
0
]
] | [
57,
57,
12,
81
] | [
1,
1,
1
] | mp-977187 | Fm-3m | La-Mg-Tl | 0.010593 | 0 | null | 0.000391 | 4,347.208624 | 34.004124 |
[
[
0,
0,
-4.373924175
],
[
0,
0,
0
],
[
-2.081352205,
1.2016692558351711,
-6.5608862625
],
[
-2.081352205,
-1.2016692558351711,
-2.186962087499999
],
[
-2.081352205,
-1.2016692558351711,
-6.5608862625
],
[
-2.081352205,
1.2016692... | [
[
-2.0813522050000004,
-3.6050077675055134,
-5.097842631503071e-16
],
[
-2.0813522049999995,
3.6050077675055134,
2.5489213157515357e-16
],
[
0,
0,
-8.74784835
]
] | [
57,
57,
14,
14,
77,
77
] | [
1,
1,
1
] | alex<agm002318907> | P6_3/mmc | Ir-La-Si | 0.059152 | null | null | 0.000304 | 6,146.487109 | 112.546257 |
[
[
-1.6986519115970764e-16,
2.7741090946054716,
-0.12622626241566187
],
[
0,
0,
2.776979355
],
[
2.04570694,
2.7741090946054716,
2.6507530925843383
],
[
2.04570694,
0,
1.2526342280322634e-16
]
] | [
[
4.09141388,
0,
2.5052684560645267e-16
],
[
-3.3973038231941527e-16,
5.548218189210943,
-0.25245252483132374
],
[
0,
0,
5.55395871
]
] | [
57,
57,
12,
81
] | [
1,
1,
1
] | alex<agm003181774> | Cmmm | La-Mg-Tl | 0.041677 | null | null | -0.000194 | 4,347.208624 | 34.010773 |
[
[
-1.6837293119838981e-16,
2.74973864,
1.6837293119838981e-16
],
[
0,
0,
2.74973864
],
[
2.068770785,
2.74973864,
2.7497386400000003
],
[
2.068770785,
0,
1.2667567600099034e-16
]
] | [
[
4.13754157,
0,
2.533513520019807e-16
],
[
-3.3674586239677963e-16,
5.49947728,
3.3674586239677963e-16
],
[
0,
0,
5.49947728
]
] | [
57,
57,
12,
81
] | [
1,
1,
1
] | alex<agm003192608> | P4/mmm | La-Mg-Tl | 0.043325 | null | null | 0.003762 | 4,347.208624 | 33.18137 |
[
[
0.30821311128666706,
0,
0.23198426684798942
],
[
1.4902543402563062,
2.548884305,
4.378660178184304
],
[
2.932204033024992,
0,
2.6314806743138175
],
[
2.451267935148124,
2.548884305,
0.9669442075184893
]
] | [
[
3.5909697278128934,
0,
-0.9903559365194802
],
[
-3.121483005515176e-16,
5.09776861,
3.121483005515176e-16
],
[
0,
0,
6.79318746
]
] | [
57,
57,
12,
81
] | [
1,
1,
1
] | alex<agm003181771> | Amm2 | La-Mg-Tl | 0.076844 | null | null | 0.000213 | 4,347.208624 | 35.099113 |
[
[
-3.416907715950318,
-2.406859343087383,
-4.106549849274219
],
[
-3.071508645946537,
1.1828760511564105,
-3.027637188618736
],
[
-1.9905984741031229,
-0.13352041033506173,
0.3487693807543002
],
[
-0.6908390609527923,
-1.1011015616053133,
-2.15795320615611... | [
[
-3.8136536114055506,
0,
1.2208888299288398
],
[
-0.7285602631222156,
4.917210527742691,
-2.2757817177707813
],
[
0.7285602631222156,
-4.917210527742691,
-4.290960082229219
]
] | [
57,
57,
12,
81
] | [
1,
1,
1
] | alex<agm003181772> | Imm2 | La-Mg-Tl | 0.072849 | null | null | 0.000021 | 4,347.208624 | 34.388771 |
[
[
0,
0,
5.370094583559475
],
[
0,
0,
1.8685366064405244
],
[
1.8515035699999998,
2.313571335,
2.5503728253086083e-16
],
[
1.8515035699999998,
2.313571335,
3.6193155950000007
]
] | [
[
3.70300714,
0,
2.2674379206103975e-16
],
[
-2.8333077300068185e-16,
4.62714267,
2.8333077300068185e-16
],
[
0,
0,
7.23863119
]
] | [
57,
57,
12,
81
] | [
1,
1,
1
] | alex<agm003192607> | Pmmm | La-Mg-Tl | 0.050196 | null | null | 0.002473 | 4,347.208624 | 28.600723 |
[
[
1.9482723599999998,
1.94827236,
2.00165206941378
],
[
1.9482723599999998,
1.94827236,
6.174115897243851
],
[
1.9482723599999998,
1.94827236,
10.40348889
],
[
1.9482723599999998,
1.94827236,
14.63286188275615
],
[
1.9482723599999998,
1.9482723... | [
[
3.89654472,
0,
2.38594550954126e-16
],
[
-2.38594550954126e-16,
3.89654472,
2.38594550954126e-16
],
[
0,
0,
20.80697778
]
] | [
57,
57,
57,
57,
57,
12,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003648042> | P4/mmm | La-Mg-Tl | 0.030987 | null | null | 0.001283 | 4,868.081743 | 30.959831 |
[
[
1.8855466499999998,
1.88554665,
2.3091286695655147e-16
],
[
1.8855466499999998,
1.88554665,
3.8964099900000004
],
[
0,
0,
5.605364034096829
],
[
0,
0,
2.187455945903171
]
] | [
[
3.7710933,
0,
2.3091286695655147e-16
],
[
-2.3091286695655147e-16,
3.7710933,
2.3091286695655147e-16
],
[
0,
0,
7.79281998
]
] | [
57,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003181770> | P4/mmm | La-Mg-Tl | 0.085498 | null | null | 0.000089 | 5,419.347242 | 35.028999 |
[
[
2.1989065,
0,
1.3464419034246549e-16
],
[
2.1989065,
2.559436745,
2.5594367450000006
],
[
-1.5672030086921852e-16,
2.559436745,
1.5672030086921852e-16
],
[
0,
0,
2.559436745
]
] | [
[
4.397813,
0,
2.6928838068493098e-16
],
[
-3.1344060173843705e-16,
5.11887349,
3.1344060173843705e-16
],
[
0,
0,
5.11887349
]
] | [
57,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003192606> | P4/mmm | La-Mg-Tl | 0.045196 | null | null | 0 | 5,419.347242 | 32.345955 |
[
[
-3.172557166351507,
-2.061113239390866,
-5.046880013073156
],
[
0,
0,
0
],
[
-1.721679833222753,
-1.1185226655280716,
-2.210493430935532
],
[
-4.623434499480262,
-3.0037038132536606,
-7.88326659521078
]
] | [
[
-1.8335150111307723,
-4.122226478781732,
-1.9520139030731558
],
[
-4.511599321572242,
0,
-1.9520139030731558
],
[
0,
0,
-6.18973222
]
] | [
57,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003273257> | R-3m | La-Mg-Tl | 0.049162 | null | null | -0 | 5,419.347242 | 35.911682 |
[
[
0,
0,
0
],
[
0,
0,
3.82825067
],
[
2.60584853,
0,
5.455114334434995
],
[
-1.5956220306636678e-16,
2.60584853,
5.455114334434995
],
[
2.60584853,
2.60584853,
3.1912440613273355e-16
],
[
-1.5956220306636678e-16,
2.60584853,
... | [
[
5.21169706,
0,
3.1912440613273355e-16
],
[
-3.1912440613273355e-16,
5.21169706,
3.1912440613273355e-16
],
[
0,
0,
7.65650134
]
] | [
57,
12,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003762022> | P4/mmm | La-Mg-Tl | 0.047127 | null | null | -0.000014 | 5,978.445252 | 31.98263 |
[
[
1.1225612175,
1.1497392364705248,
7.377129508462824
],
[
3.3676836524999993,
4.665656641470525,
3.877403551537177
],
[
1.1225612174999997,
2.3661781685294754,
3.625618488462824
],
[
3.3676836524999993,
5.882095573529475,
0.12589253153717697
],
[
... | [
[
4.49024487,
0,
2.7494820037166614e-16
],
[
-4.3057569960997186e-16,
7.03183481,
4.3057569960997186e-16
],
[
0,
0,
7.50302204
]
] | [
57,
57,
57,
57,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002241916> | Pnma | Ir-La-Si | 0.079999 | null | null | 0.000053 | 6,146.487109 | 114.735268 |
[
[
-4.0702395752437115e-16,
6.64720567281533,
5.299144622184669
],
[
-8.064469748445513e-17,
1.3170278571846692,
2.665088907815331
],
[
-1.6318963001995802e-16,
2.6650889078153304,
6.64720567281533
],
[
-3.244790249888683e-16,
5.299144622184669,
1.317027857... | [
[
4.91381827,
0,
3.008845907973642e-16
],
[
-4.876686550088263e-16,
7.96423353,
4.876686550088263e-16
],
[
0,
0,
7.96423353
]
] | [
57,
57,
57,
57,
12,
12,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002995233> | P4/mbm | La-Mg-Tl | 0.074739 | null | null | -0.000005 | 4,966.149983 | 30.893118 |
[
[
1.845679045559894,
2.382162641819912,
4.742809522744289
],
[
1.8456790452673582,
1.13751994309374,
9.660098158194115
],
[
-1.7557764056489026e-8,
3.8250597784944227,
7.737696042998399
],
[
1.3139010932327592e-9,
5.590214261538492,
3.0750659828430846
],... | [
[
3.69135809,
0,
2.2603049347125936e-16
],
[
-1.8456790431262051,
7.972376903358404,
-3.1171186144126284
],
[
0,
0,
10.93499412
]
] | [
57,
57,
57,
57,
57,
57,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003717348> | C2/m | La-Mg-Tl | 0.087818 | null | null | 0.000049 | 4,078.781546 | 32.59396 |
[
[
0,
0,
-3.697900952499998
],
[
0,
0,
-11.0937028575
],
[
-2.52890314,
1.46006290863349,
-5.984950925387035
],
[
-2.5289031400000006,
-1.4600629086334904,
-8.806652884612962
],
[
-2.5289031400000006,
-1.4600629086334904,
-13.380752830387037... | [
[
-2.5289031400000006,
-4.38018872590047,
-6.194026271509382e-16
],
[
-2.5289031399999997,
4.38018872590047,
3.097013135754691e-16
],
[
0,
0,
-14.79160381
]
] | [
57,
57,
12,
12,
12,
12,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003435540> | P6_3/mmc | La-Mg-Tl | 0.082519 | null | null | 0.000793 | 5,545.870314 | 36.08445 |
[
[
6.92117469,
-2.8478206375039328,
4.9325700349999995
],
[
3.460587344999999,
2.847820637503932,
4.932570035000001
],
[
6.92117469,
2.8478206375039323,
4.932570035
],
[
3.460587345,
-2.847820637503933,
4.932570035
],
[
1.7302936725,
-5.92250046... | [
[
6.92117469,
0,
4.237997215224087e-16
],
[
-5.231361642397448e-16,
8.543461912511797,
4.932570035000002
],
[
5.231361642397448e-16,
-8.543461912511797,
4.932570034999999
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
12,
12,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003567783> | P6_3/mcm | La-Mg-Tl | 0.034834 | null | null | 0.001465 | 4,617.675374 | 30.024143 |
[
[
0,
0,
0
],
[
2.3004938949999993,
3.638494748610955,
4.643541261257652
],
[
-1.8819858167382412e-16,
3.0735160832471093,
2.5322290970149828
],
[
2.300493895,
0.833107804175698,
3.113304403020558
],
[
-8.560810599264126e-17,
1.3980864695395434,... | [
[
4.60098779,
0,
2.817292484969777e-16
],
[
-2.738066876664654e-16,
4.471602552786653,
-1.1965829557217904
],
[
0,
0,
8.95342862
]
] | [
57,
12,
12,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm003462048> | Cmmm | La-Mg-Tl | 0.086745 | null | null | -0.000043 | 4,863.139125 | 36.684971 |
[
[
0,
0,
0
],
[
1.2296547739609232,
-1.0920431449033923,
3.5777091200000006
],
[
3.1693182560764153,
1.0920431449033923,
2.065786824163617
],
[
2.9012521740044512,
-1.6864531491057577,
1.2858423333979594
],
[
1.4977208560328876,
1.68645314910575... | [
[
0.5196460658063543,
-4.368172579613569,
1.5119222958363836
],
[
4.398973030037339,
0,
-1.5119222958363836
],
[
-0.5196460658063543,
4.368172579613569,
5.643495944163616
]
] | [
57,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm002932218> | I4/mmm | La-Mg-Tl | 0.061419 | null | null | -0.000069 | 5,218.83017 | 35.114128 |
[
[
5.556272300206223,
5.1165439591074175,
4.9961764995519635
],
[
0.6710258779256119,
3.5619312108925834,
1.708481248740903
],
[
3.78467496699153,
0.7773063741074173,
0.4855593628873355
],
[
2.4426232111403055,
7.901168795892583,
6.219098385405531
],
[
... | [
[
6.227298178131836,
0,
-2.4458437717071346
],
[
-5.314033419210142e-16,
8.67847517,
5.314033419210142e-16
],
[
0,
0,
9.15050152
]
] | [
57,
57,
57,
57,
12,
12,
12,
12,
12,
12,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003335947> | Cmce | La-Mg-Tl | 0.066664 | null | null | 0.000151 | 5,317.002882 | 30.328978 |
[
[
-0.8905227845086131,
2.481499564315218,
-3.287827457987943
],
[
-3.6037576449178816,
-2.481499564315217,
-4.400009979293018
],
[
0,
0,
0
],
[
-3.5417996087908397,
4.254212401929547,
-4.171259702149477
],
[
-0.9524808206356551,
-4.254212401929... | [
[
-4.494280429426495,
0,
1.2172959727190407
],
[
-0.8364859971926056,
6.6907700637267125,
-3.088322586227536
],
[
0.8364859971926056,
-6.6907700637267125,
-5.816810823772464
]
] | [
62,
62,
62,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-1205500 | Immm | Ag-Sm-Sn | 0 | 0 | null | -0.000051 | 2,034.896546 | 54.441769 |
[
[
-9.473071037825184e-18,
3.2724822337455888,
-7.460371820311448e-17
],
[
4.440892098500626e-16,
9.817446701236763,
4.440892098500626e-16
],
[
2.220446049250313e-16,
6.544964467491175,
4.440892098500626e-16
],
[
0,
0,
0
]
] | [
[
1.542662919196004,
4.363309644994117,
2.6719705550000006
],
[
1.542662919196004,
4.363309644994117,
-2.6719705549999997
],
[
-3.0853258383920075,
4.363309644994117,
0
]
] | [
62,
62,
47,
50
] | [
1,
1,
1
] | mp-972511 | Fm-3m | Ag-Sm-Sn | 0.025306 | 0 | null | 0.00559 | 2,414.541677 | 56.5294 |
[
[
1.165531245,
1.2475460951302801,
2.915779771124889
],
[
3.4965937349999994,
4.690268059582926,
3.0247065713745496
],
[
3.4965937349999994,
4.724710706856189,
-1.201689260478496
],
[
1.165531245,
1.2131034478570168,
7.142175602977936
],
[
3.496593... | [
[
4.66212498,
0,
2.8547282169909587e-16
],
[
-3.6358625492506876e-16,
5.937814154713206,
-2.1785670675005604
],
[
0,
0,
8.11905341
]
] | [
62,
62,
62,
62,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003629178> | P2_1/m | Ag-Sm-Sn | 0.072031 | null | null | 0.00005 | 2,414.541677 | 46.884399 |
[
[
-1.5821986372971926e-16,
2.583926465,
1.5821986372971926e-16
],
[
0,
0,
2.583926465
],
[
2.031012045,
2.583926465,
2.5839264650000002
],
[
2.031012045,
0,
1.2436361999694852e-16
]
] | [
[
4.06202409,
0,
2.4872723999389703e-16
],
[
-3.164397274594385e-16,
5.16785293,
3.164397274594385e-16
],
[
0,
0,
5.16785293
]
] | [
62,
62,
47,
50
] | [
1,
1,
1
] | alex<agm001195949> | P4/mmm | Ag-Sm-Sn | 0.089714 | null | null | 0.006426 | 2,414.541677 | 49.220734 |
[
[
2.22481678,
2.364079035,
2.3640790350000005
],
[
2.22481678,
0,
1.3623073741581605e-16
],
[
-1.4475809115720568e-16,
2.364079035,
1.4475809115720568e-16
],
[
0,
0,
2.364079035
]
] | [
[
4.44963356,
0,
2.724614748316321e-16
],
[
-2.8951618231441137e-16,
4.72815807,
2.8951618231441137e-16
],
[
0,
0,
4.72815807
]
] | [
62,
47,
50,
50
] | [
1,
1,
1
] | alex<agm001195923> | P4/mmm | Ag-Sm-Sn | 0.032408 | null | null | -0 | 2,011.514377 | 49.829414 |
[
[
3.3574098374999997,
1.5748276242956332,
8.237066743319653
],
[
1.1191366124999997,
2.836283846484342,
2.8773200870380236
],
[
1.1191366125,
0.17414022653220768,
0.9108329285231588
],
[
1.1191366124999997,
2.030604481902762,
10.620987465777016
],
[
... | [
[
4.47654645,
0,
2.7410941406134736e-16
],
[
-2.701026771686435e-16,
4.411111470779975,
-0.8433512096423245
],
[
0,
0,
11.95773804
]
] | [
62,
62,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003394256> | Cmcm | Ag-Sm-Sn | 0.041531 | null | null | 0.000083 | 1,902.216675 | 45.25684 |
[
[
0,
0,
-3.78684769
],
[
0,
0,
0
],
[
-2.39254439,
-1.3813361476146289,
-1.8934238450000012
],
[
-2.39254439,
1.381336147614629,
-5.680271535
],
[
-2.39254439,
-1.3813361476146289,
-5.680271535
],
[
-2.39254439,
1.38133614761462... | [
[
-2.3925443900000003,
-4.144008442843887,
-5.860043658062913e-16
],
[
-2.3925443899999994,
4.144008442843887,
2.9300218290314567e-16
],
[
0,
0,
-7.57369538
]
] | [
62,
62,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002194878> | P6_3/mmc | Ag-Sm-Sn | 0.039657 | null | null | 0.000001 | 2,141.11353 | 45.134544 |
[
[
2.287294679999999,
3.7403111704120278,
2.15946966109035
],
[
2.2872946800000005,
-3.740311170412027,
2.159469661090348
],
[
2.28729468,
2.022346745571028e-16,
3.206709267819304
],
[
-3.886259654442654e-33,
2.9872029208744685e-16,
5.672492995260873
],
... | [
[
4.57458936,
0,
2.8011281085687695e-16
],
[
-3.990758274949505e-16,
6.517402858894542,
3.7628242950000015
],
[
3.990758274949505e-16,
-6.517402858894542,
3.762824294999999
]
] | [
62,
62,
62,
47,
47,
47,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003601979> | P-62m | Ag-Sm-Sn | 0.020348 | null | null | 0 | 2,141.11353 | 55.701824 |
[
[
2.220446049250313e-16,
5.924903744855014,
4.440892098500626e-16
],
[
-2.220446049250313e-16,
2.962451872427506,
7.591331618872486e-16
],
[
0,
0,
0
]
] | [
[
1.3965132052881837,
3.9499358299033425,
2.4188318250000003
],
[
1.3965132052881837,
3.9499358299033425,
-2.4188318249999994
],
[
-2.793026410576367,
3.9499358299033425,
0
]
] | [
62,
47,
50
] | [
1,
1,
1
] | alex<agm001237086> | F-43m | Ag-Sm-Sn | 0.068721 | null | null | -0.000035 | 2,141.11353 | 51.550716 |
[
[
-3.1004840217322576,
0,
-2.192373276909674
],
[
1.5502420113816253,
2.685097927145501,
-2.1923732761806516
],
[
-1.5502420103506318,
2.685097927145501,
-4.384746553090325
],
[
-1.924950300622636e-16,
-1.308219470078893e-16,
-4.143644489664875
],
[
... | [
[
-3.1004840227632515,
-5.370195854291002,
-2.192373277638697
],
[
-3.1004840207012645,
5.370195854291002,
-2.1923732761806516
],
[
6.200968043464516,
0,
-2.1923732761806516
]
] | [
57,
57,
57,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002241183> | I-43m | Ir-La-Si | 0.09645 | null | null | -0.003829 | 6,472.525412 | 131.055222 |
[
[
0,
0,
-3.7528868
],
[
0,
0,
0
],
[
-2.3931529250000003,
1.3816874854606902,
-2.184672946694576
],
[
-2.3931529250000003,
1.3816874854606902,
-5.321100653305424
],
[
-2.393152925,
-1.3816874854606906,
-5.755741012874217
],
[
-2.393... | [
[
-2.3931529250000003,
-4.145062456382071,
-5.861534138942751e-16
],
[
-2.3931529249999994,
4.145062456382071,
2.9307670694713756e-16
],
[
0,
0,
-7.5057736
]
] | [
62,
62,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002326718> | P-6m2 | Ag-Sm-Sn | 0.056386 | null | null | -0.000046 | 2,141.11353 | 50.129265 |
[
[
0,
0,
-7.546634151390029
],
[
0,
0,
-3.770880846390029
],
[
-2.39497204,
-1.3827377519956277,
-5.231815326653147
],
[
-2.39497204,
1.3827377519956272,
-1.456062021653147
],
[
-2.39497204,
-1.3827377519956277,
-2.105570050266824
],
[
... | [
[
-2.3949720400000003,
-4.148213255986882,
-5.865989685666813e-16
],
[
-2.3949720399999994,
4.148213255986882,
2.9329948428334067e-16
],
[
0,
0,
-7.55150661
]
] | [
62,
62,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002133092> | P6_3mc | Ag-Sm-Sn | 0 | null | null | -0.00002 | 2,141.11353 | 51.277557 |
[
[
6.022709989471693,
3.9549835366970907,
5.105233454028535
],
[
2.4371738038341775,
4.239997876816347,
10.07632033623963
],
[
0.7206155981126714,
1.7865839878762177,
7.143958482354587
],
[
4.306151783750187,
1.501569647756961,
2.1728716001434907
],
[
... | [
[
4.564720477005104,
0,
1.0794479881860948
],
[
2.17860511057926,
5.741567524573308,
0.9784789481970282
],
[
0,
0,
10.191265
]
] | [
62,
62,
62,
62,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003403091> | C2/m | Ag-Sm-Sn | 0.048511 | null | null | -0.000029 | 2,264.862087 | 53.164581 |
[
[
4.6898780325,
3.1637613759488716,
4.022016690917871
],
[
1.5632926774999998,
3.092679944051129,
9.027188279082129
],
[
4.6898780325,
0.0355407159488712,
9.027188279082129
],
[
1.5632926774999996,
6.220900604051129,
4.022016690917871
],
[
3.126585... | [
[
6.25317071,
0,
3.828962747261741e-16
],
[
-3.830965418295621e-16,
6.25644132,
3.830965418295621e-16
],
[
0,
0,
13.04920497
]
] | [
62,
62,
62,
62,
47,
47,
47,
47,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003721571> | Pbcm | Ag-Sm-Sn | 0.055776 | null | null | 0.000001 | 1,931.999085 | 50.62254 |
[
[
0,
0,
0
],
[
1.267193162353033,
3.528870185727614,
0.8143235174061058
],
[
4.003442770675664,
3.528870185727614,
1.9614750137244856
],
[
0,
0,
3.83690319
],
[
2.7362496083226313,
0,
4.98405468631838
],
[
4.63347714515349,
5.28... | [
[
5.472499216645263,
0,
2.2943029926367595
],
[
2.534386324706066,
7.057740371455228,
1.6286470348122115
],
[
0,
0,
7.67380638
]
] | [
62,
47,
47,
47,
47,
47,
47,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003695731> | Immm | Ag-Sm-Sn | 0.047058 | null | null | -0.000297 | 1,663.648365 | 45.937786 |
[
[
1.99665262968949,
-1.3600017311946595,
-4.55977612
],
[
0.8857264275914296,
1.30035716887097,
-0.671084260840377
],
[
-1.9966526296894895,
1.3600017311946586,
-4.55977612
],
[
2.8196846816812156,
4.139649755907664,
-2.1363774992630487
],
[
-0.463... | [
[
-2.140599704742656,
5.440006924778635,
-1.403730880051713
],
[
5.846010814015302,
0,
-1.403730880051713
],
[
-3.705411109272646,
-5.440006924778635,
-6.312090479896575
]
] | [
62,
62,
62,
62,
47,
47,
47,
47,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003427943> | Fmmm | Ag-Sm-Sn | 0.055086 | null | null | 0.000187 | 2,119.974548 | 48.077751 |
[
[
0,
0,
-5.205058481035106
],
[
-2.85272512,
-1.6470216159560076,
-4.555822673980469
],
[
-2.85272512,
-1.6470216159560076,
-0.014395769295879194
],
[
-1.4459116861750858,
2.4592456977339716,
-6.855225794290226
],
[
-4.259538496770413,
2.459245... | [
[
-2.8527251200000006,
-4.941064847868023,
-6.987161374110499e-16
],
[
-2.8527251199999997,
4.941064847868023,
3.4935806870552493e-16
],
[
0,
0,
-9.12002008
]
] | [
62,
47,
47,
47,
47,
47,
47,
47,
47,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003587788> | P3m1 | Ag-Sm-Sn | 0.099139 | null | null | 0.000174 | 1,638.666207 | 53.98737 |
[
[
-0.42826599620784156,
-1.1326437027954985,
-1.6108161620735328
],
[
1.050367552295966,
-5.729105995222818,
-4.981647775105709
],
[
1.9152865516844608,
-6.218235186734021,
-1.728469537254484
],
[
0.09900185170177003,
-4.613248396566073,
0.3723708052022082... | [
[
4.436094729743375,
0,
-1.1794197665474109
],
[
0.6221015560881237,
-6.861749698018315,
2.3398806028207586
],
[
-4.436094729743375,
0,
-7.75292477345259
]
] | [
62,
62,
47,
47,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003425646> | C2/m | Ag-Sm-Sn | 0.040495 | null | null | -0.000071 | 1,826.064888 | 62.946384 |
[
[
-1.3626167453222713,
-3.538664363760058,
-8.261695744354311
],
[
1.4758342176544597,
-0.6007012142149989,
-3.830837781875915
],
[
0,
0,
0
],
[
0.8500642741338414,
-1.2474037362155599,
-7.624950027601222
],
[
-1.8036107372445354,
-1.8647635374... | [
[
4.103692002700724,
0,
-0.6768295038520076
],
[
0.11321747233218817,
-4.139365577975057,
0.6864500337697738
],
[
-4.103692002700724,
0,
-12.102154056147993
]
] | [
57,
57,
57,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002186973> | Immm | Ir-La-Si | 0.012419 | null | null | 0 | 6,472.525412 | 123.475243 |
[
[
2.346214299259807,
1.4911151150458353,
5.729388980100753
],
[
0,
0,
0
],
[
-1.9932341492046404e-9,
4.01535910891083,
1.4150498550769668
],
[
2.3462142989572428,
2.100628949485288,
2.6358649051684533
],
[
-1.6906698480010567e-9,
3.405845274471... | [
[
4.6924286,
0,
2.873283832608748e-16
],
[
-2.3462143027334275,
5.5064742239566655,
-1.8831589848222812
],
[
0,
0,
9.02759782
]
] | [
62,
62,
62,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003338642> | C2/m | Ag-Sm-Sn | 0.045278 | null | null | -0.000038 | 2,154.871606 | 54.867016 |
[
[
-3.5648348901463857e-17,
4.5832099514097635,
2.862429682171109e-17
],
[
8.881784197001252e-16,
13.749629854229285,
1.2212453270876722e-15
],
[
0,
0,
0
],
[
2.273386881615224,
10.77394718307019,
7.59819803408526e-16
],
[
-2.273386881615224,
7.... | [
[
2.1605458908290065,
6.110946601879682,
3.7421752550000007
],
[
2.1605458908290065,
6.110946601879682,
-3.742175254999999
],
[
-4.321091781658012,
6.110946601879682,
0
]
] | [
19,
19,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-1205761 | Fm-3m | Br-K-Pd | 0.002748 | 0.5077 | null | -0.000002 | 7,111.615043 | 9.843344 |
[
[
2.2258495,
0,
3.7703175
],
[
2.2258494999999994,
3.7703175,
3.671593361851494e-16
],
[
0,
0,
0
],
[
-3.5445405590160484e-16,
5.78867402664,
5.788674026640001
],
[
-1.0727666991282027e-16,
1.75196097336,
1.75196097336
],
[
-3.54454... | [
[
4.451699,
0,
2.7258794655587365e-16
],
[
-4.617307258144251e-16,
7.540635,
4.617307258144251e-16
],
[
0,
0,
7.540635
]
] | [
19,
19,
46,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-27138 | P4/mmm | Br-K-Pd | 0 | 1.2049 | 9.369523 | -0.000006 | 7,178.682854 | 9.637356 |
[
[
5.236407977443727,
5.207884307837417,
2.6334816650000006
],
[
2.611360082188515,
2.570779889741331,
3.1729310751581603e-16
],
[
2.6103488218300916,
2.566288099030724,
2.6334816650000006
],
[
2.6098120126082627,
5.203256078325742,
4.783690287953495e-16
... | [
[
5.24303941,
0,
3.2104357156299633e-16
],
[
0.0007175636014365268,
5.265874221109969,
3.224418034733953e-16
],
[
0,
0,
5.26696333
]
] | [
19,
46,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002155572> | Pm-3m | Br-K-Pd | 0.05511 | null | null | -0 | 7,234.323364 | 17.203627 |
[
[
5.458871277606349,
0.8913319503623788,
5.770918304077322
],
[
-1.794955824257194,
5.284313021204752,
1.9166954485749133
],
[
1.8319577266745775,
3.087822485783565,
3.8438068763261177
],
[
1.8319577266745775,
3.087822485783565,
-0.07962906367388223
],
... | [
[
6.959763341339156,
0,
-0.12095145949800797
],
[
-3.295847887990001,
6.17564497156713,
-0.03830666784975648
],
[
0,
0,
7.84687188
]
] | [
19,
19,
46,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003718318> | C2/c | Br-K-Pd | 0.032279 | null | null | 0.000016 | 7,234.323364 | 7.181789 |
[
[
0,
0,
0
],
[
-3.432200285,
-1.9815817584574602,
-3.6573648400000005
],
[
-3.432200285,
1.9815817584574604,
-3.65736484
],
[
-4.714042762286498,
-3.724528977412213,
-2.1716672419506255
],
[
-4.714042762286497,
3.7245289774122123,
-2.171667... | [
[
-3.432200285000001,
-5.944745275372381,
-8.406466186115767e-16
],
[
-3.432200284999999,
5.944745275372381,
4.2032330930578834e-16
],
[
0,
0,
-7.31472968
]
] | [
19,
46,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003498882> | P-31m | Br-K-Pd | 0.098209 | null | null | 0.010029 | 7,236.158276 | 8.107398 |
[
[
0,
0,
0
],
[
2.01186100887333,
3.4846454843628956,
-7.113002807702596
],
[
-2.011861007535335,
3.484645484362895,
-1.4226005613512984
],
[
-5.267345761487106e-18,
1.1443168982097172e-16,
-4.267801684999999
],
[
-4.023722016408665,
0,
-7.1... | [
[
-4.0237220177466595,
-6.969290968725791,
-2.845201124594807
],
[
-4.02372201507067,
6.969290968725791,
-2.845201122702597
],
[
8.04744403281733,
0,
-2.845201122702597
]
] | [
19,
46,
46,
46,
46,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003589385> | Im-3 | Br-K-Pd | 0.055614 | null | null | 0 | 7,237.151323 | 16.391329 |
[
[
1.633028809151934,
1.7935178078166065,
1.1628021491994887
],
[
3.8681806876546574,
5.450324957954888,
11.591169925096494
],
[
3.083630051625955,
0,
5.5665401842028075
],
[
-0.3330253032226588,
3.621921382885747,
5.1063814229451845
],
[
1.09921150... | [
[
6.16726010325191,
0,
2.541209228405615
],
[
-0.6660506064453176,
7.243842765771494,
1.6208917058903682
],
[
0,
0,
8.59187114
]
] | [
19,
19,
46,
46,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002282752> | C2/c | Br-K-Pd | 0.059168 | null | null | -0 | 7,176.890975 | 9.003072 |
[
[
3.1422318674999996,
0.3558611011179527,
1.5533961089974164
],
[
1.0474106224999997,
4.085080105923696,
5.873063096858098
],
[
3.142231867499999,
3.6780761932677977,
3.5221053928652717
],
[
1.0474106225,
0.7628650137738505,
3.9043538129902413
],
[
... | [
[
4.18964249,
0,
2.5654161324751235e-16
],
[
-2.719292217202569e-16,
4.440941207041648,
-0.8966132141444875
],
[
0,
0,
8.32307242
]
] | [
57,
57,
14,
14,
14,
14,
77,
77
] | [
1,
1,
1
] | alex<agm002186255> | P2_1/m | Ir-La-Si | 0.031834 | null | null | 0 | 5,773.27745 | 122.426003 |
[
[
4.264371748688983,
-1.54359272188831,
0.49292441747145627
],
[
2.3236125768358264,
1.4371099793607802,
-3.6532258188366766
],
[
3.845068091765704,
-5.905423513556834,
-6.045285760482078
],
[
0.935378887011426,
-1.4365957485307606,
-5.397245795974956
],... | [
[
2.6371342235328474,
5.9614054024981815,
3.051296753299275
],
[
3.8815183437063134,
-5.9614054024981815,
1.094853482616264
],
[
0,
0,
-7.19744699
]
] | [
19,
19,
46,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003468895> | I4mm | Br-K-Pd | 0.051801 | null | null | 0.003557 | 7,140.561848 | 9.31901 |
[
[
4.43938575,
2.0170574897199196,
1.1645486846607471
],
[
4.43938575,
6.66410816423622e-17,
6.399898100678508
],
[
4.439385749999999,
5.5424743368193665,
5.529046419660747
],
[
1.47979525,
-2.017057489719919,
7.5644467853392525
],
[
1.47979525,
... | [
[
5.919181,
0,
3.6244530326119147e-16
],
[
-4.62887822721194e-16,
7.559531826539286,
4.364497735000001
],
[
4.62887822721194e-16,
-7.559531826539286,
4.364497734999998
]
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
49,
49,
49,
49,
49,
49,
29,
29
] | [
1,
1,
1
] | mp-1189765 | P6_3/mcm | Cu-In-Zr | 0.036271 | 0 | null | null | 2,279.936814 | 94.097198 |
[
[
-2.218051115,
-1.2805924083216003,
-2.0097311500000004
],
[
-2.218051115,
1.2805924083216,
-6.029193449999999
],
[
0,
0,
0
],
[
0,
0,
-4.0194623
],
[
-2.218051115,
-1.2805924083216003,
-7.258782017281256
],
[
-2.218051115,
1.2... | [
[
-2.2180511150000006,
-3.8417772249647992,
-5.432658396659936e-16
],
[
-2.2180511149999997,
3.8417772249647992,
2.716329198329968e-16
],
[
0,
0,
-8.0389246
]
] | [
40,
40,
49,
49,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002266995> | P6_3/mmc | Cu-In-Zr | 0.009626 | null | null | -0.000059 | 1,973.549383 | 110.161018 |
[
[
0,
0,
-4.737564330021068
],
[
-2.4969076649999997,
1.4415903125293899,
-3.667677471729767
],
[
-2.4969076649999997,
1.4415903125293899,
-0.5261621780058391
],
[
0,
0,
-7.782699385545965
],
[
-2.496907665,
-1.4415903125293907,
-4.159100226... | [
[
-2.4969076650000006,
-4.324770937588171,
-6.115659959417484e-16
],
[
-2.4969076649999997,
4.324770937588171,
3.057829979708742e-16
],
[
0,
0,
-8.36038915
]
] | [
40,
49,
49,
49,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003587888> | P3m1 | Cu-In-Zr | 0.012921 | null | null | 0.000001 | 1,788.728939 | 110.589119 |
[
[
1.077039325448947,
1.3112557553596382,
2.27116159
],
[
2.6885746789916034,
-1.3112557553596391,
2.27116159
],
[
2.6746744433580076,
0,
4.54232318
]
] | [
[
3.22014424,
0,
1.9717696681543934e-16
],
[
-2.4087377454970894e-16,
3.933767266078916,
2.271161590000001
],
[
2.4087377454970894e-16,
-3.933767266078916,
2.2711615899999993
]
] | [
40,
49,
29
] | [
1,
1,
1
] | alex<agm003159423> | P-6m2 | Cu-In-Zr | 0.069454 | null | null | 0 | 2,085.172189 | 108.360527 |
[
[
0,
0,
-3.129621285
],
[
0,
0,
0
],
[
-2.28873155,
1.3213997764952898,
-1.5648106425
],
[
-2.28873155,
-1.3213997764952898,
-4.6944319275
],
[
-2.28873155,
1.3213997764952898,
-4.6944319275
],
[
-2.28873155,
-1.3213997764952898... | [
[
-2.2887315500000005,
-3.9641993294858686,
-5.605775533630121e-16
],
[
-2.2887315499999996,
3.9641993294858686,
2.8028877668150607e-16
],
[
0,
0,
-6.25924257
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm002267897> | P6_3/mmc | Cu-In-Zr | 0.044899 | null | null | 0.000786 | 2,085.172189 | 109.174492 |
[
[
-3.077645545082526,
-2.2712987098417017,
-3.5058552554700593
],
[
0.736015471970568,
-5.769480430202179,
-6.330344228409634
],
[
-3.993158227962117,
-1.9777421152334362,
-7.3515375791792685
],
[
-1.1678142226784867,
2.2712987098417003,
-4.905494591115962... | [
[
-4.245459767761012,
0,
1.0106846934139795
],
[
-0.9883170117694642,
7.7472225454356165,
-4.1515025789971185
],
[
0.9883170117694642,
-7.7472225454356165,
-5.270531961002882
]
] | [
57,
57,
57,
57,
14,
14,
14,
14,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003634126> | Immm | Ir-La-Si | 0.073856 | null | null | 0 | 5,773.27745 | 119.432144 |
[
[
2.0169197799999994,
2.4959660033595843,
5.52534185607219
],
[
2.01691978,
2.587133336616673e-17,
2.88209328785562
],
[
2.0169197800000003,
-2.4959660033595834,
5.52534185607219
],
[
-2.7431297400095773e-16,
4.479870836096499,
4.379933866844933
],
[
... | [
[
4.03383956,
0,
2.470014352713984e-16
],
[
-3.6941895732189733e-16,
6.03306941363177,
3.4831942500000013
],
[
3.6941895732189733e-16,
-6.03306941363177,
3.4831942499999986
]
] | [
40,
40,
40,
49,
49,
49,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002209109> | P-62m | Cu-In-Zr | 0.025211 | null | null | -0 | 2,085.172189 | 105.229187 |
[
[
-0.07668397185686858,
-3.464743280625147,
-0.2146717122365801
],
[
1.0547699531330532,
-1.4995805463172889,
-3.0880648644519626
],
[
-1.6650537669318797,
-1.2611568312214791,
-4.661206684593972
],
[
2.6431397482080654,
-3.7031669957209576,
1.358470107905... | [
[
3.8273651588498825,
0,
-1.367192919583494
],
[
0.9780859812761852,
-4.964323826942437,
2.7380863033114577
],
[
-3.8273651588498825,
0,
-4.673629960416506
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm003062402> | Immm | Cu-In-Zr | 0.074249 | null | null | -0.000001 | 2,085.172189 | 103.677979 |
[
[
2.3265237952899916e-8,
1.3523699485311356,
4.4885359875
],
[
2.3265143967350426,
2.687388769788802,
1.4961786625000004
],
[
2.32651442,
0,
1.4245792188115805e-16
],
[
2.32651442,
0,
2.992357325
],
[
2.3265143967350435,
2.7005449712115803,
... | [
[
4.65302884,
0,
2.849158437623161e-16
],
[
-2.32651441999972,
4.039758718319938,
2.8545253236325103e-16
],
[
0,
0,
5.98471465
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm003062397> | P6_3/mmc | Cu-In-Zr | 0.045776 | null | null | -0.000018 | 2,085.172189 | 101.20002 |
[
[
0,
0,
-3.3533729
],
[
0,
0,
0
],
[
-2.23198862,
-1.2886392305851813,
-5.132353789112126
],
[
-2.23198862,
-1.2886392305851813,
-1.5743920108878746
],
[
-2.2319886200000005,
1.288639230585181,
-2.040943496159432
],
[
-2.23198862000... | [
[
-2.2319886200000005,
-3.8659176917555444,
-5.466795438432636e-16
],
[
-2.2319886199999996,
3.8659176917555444,
2.733397719216318e-16
],
[
0,
0,
-6.7067458
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm002335204> | P-6m2 | Cu-In-Zr | 0.061561 | null | null | 0 | 2,085.172189 | 99.636993 |
[
[
3.6918082798445275,
1.1102380625,
3.3528226905850063
],
[
0.42499855343345194,
3.3307141875,
1.0826256390434432
],
[
2.4680671116268913,
1.1102380625,
0.23550957607616485
],
[
1.6487397216510877,
3.3307141875,
4.199938753552285
],
[
1.02475485708... | [
[
4.1168068332779795,
0,
-1.6161052203715505
],
[
-2.719298979064368e-16,
4.44095225,
2.719298979064368e-16
],
[
0,
0,
6.05155355
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm003062395> | Cmcm | Cu-In-Zr | 0.020756 | null | null | 0.000024 | 2,085.172189 | 101.342506 |
[
[
-5.669533717865501e-16,
5.41643298123188,
9.350852325784586e-16
],
[
0,
0,
0
],
[
-1.724543834307594e-16,
2.7082164906159405,
2.220446049250313e-16
]
] | [
[
1.276665496957177,
3.6109553208212533,
2.2112495050000005
],
[
1.276665496957177,
3.6109553208212533,
-2.2112495049999996
],
[
-2.5533309939143534,
3.6109553208212533,
0
]
] | [
40,
49,
29
] | [
1,
1,
1
] | alex<agm002147179> | F-43m | Cu-In-Zr | 0.037822 | null | null | 0 | 2,085.172189 | 109.493462 |
[
[
5.2118603431132176,
3.6867893125615225,
4.8054324440865726
],
[
0.3963833164843368,
1.2753338262452738,
4.695017654459411
],
[
4.015903047484555,
4.07357063471008,
7.564276357882784
],
[
1.5923406121129986,
0.8885525040967166,
1.9361737406631998
],
[... | [
[
4.093991612627403,
0,
1.7747431145337553
],
[
1.5142520469701508,
4.962123138806796,
2.1163091240122287
],
[
0,
0,
5.60939786
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm003062404> | Immm | Cu-In-Zr | 0.08752 | null | null | 0.00005 | 2,085.172189 | 107.593422 |
[
[
2.0473122672067525,
-1.0532308759002442,
1.6218294289696509
],
[
0.9835262640043893,
1.0543291948579097,
3.733309570756915
],
[
3.0287894073769803,
-0.0010983189576651477,
5.3473608509350985
]
] | [
[
0.2102809265266872,
-3.0225080017211723,
0.7981930146691679
],
[
3.0298139692940613,
0,
-0.7981930146691679
],
[
-0.2102809265266872,
3.0225080017211723,
5.3512499253308325
]
] | [
40,
49,
29
] | [
1,
1,
1
] | alex<agm004199053> | I4mm | Cu-In-Zr | 0.095306 | null | null | 0.000722 | 2,085.172189 | 100.414124 |
[
[
0,
0,
-0.08070184927173611
],
[
0,
0,
-3.453955249271736
],
[
-2.230390775,
1.2877167143443087,
-5.231439180299375
],
[
-2.230390775,
-1.2877167143443087,
-1.858185780299376
],
[
-2.230390775,
1.2877167143443087,
-1.2857401581598196
],
... | [
[
-2.2303907750000005,
-3.8631501430329243,
-5.462881846903069e-16
],
[
-2.2303907749999996,
3.8631501430329243,
2.7314409234515345e-16
],
[
0,
0,
-6.7465068
]
] | [
40,
40,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm002209108> | P6_3mc | Cu-In-Zr | 0.028942 | null | null | 0.000033 | 2,085.172189 | 104.041626 |
[
[
-1.3544933875190248e-33,
1.3268733457197658e-18,
1.4699314690090401
],
[
3.749923,
1.2729979939840073,
5.122198345495481
],
[
-2.326495136871717e-16,
3.7994548934297034,
2.1936163054954805
],
[
1.8749615,
-2.9733399988268445,
4.14050543128504
],
[
... | [
[
3.749923,
0,
2.29616559949952e-16
],
[
-3.1059815961984753e-16,
5.072452887413711,
2.928582040000001
],
[
3.1059815961984753e-16,
-5.072452887413711,
2.9285820399999993
]
] | [
28,
28,
28,
42,
42,
42,
15,
15,
15
] | [
1,
1,
1
] | mp-7632 | P-62m | Mo-Ni-P | 0 | 0 | 241.330777 | -0.000007 | 4,064.973992 | 229.490265 |
[
[
-2.753713489486584,
-1.7450116682029673,
-4.36847822427995
],
[
-1.6073941684041122,
-1.0185960122487339,
-1.5810060102523902
],
[
-3.900032810569056,
-2.4714273241572,
-7.15595043830751
],
[
0,
0,
0
]
] | [
[
-1.6479100957093178,
-3.4900233364059345,
-1.4749904742799504
],
[
-3.8595168832638502,
0,
-1.4749904742799504
],
[
0,
0,
-5.7869755
]
] | [
57,
14,
14,
77
] | [
1,
1,
1
] | alex<agm003187221> | R-3m | Ir-La-Si | 0.027722 | null | null | 0.000096 | 5,773.27745 | 123.382416 |
[
[
0,
0,
0
],
[
-5.963071908697715,
-3.652790066931295,
-6.050669261017604
],
[
-0.959168389951404,
-0.5875563503130955,
-5.418619997686642
],
[
-4.612738448942111,
-2.8256183131166663,
-1.9257872193543997
],
[
-2.309501849707008,
-1.41472810412... | [
[
-2.162368808537802,
-4.240346417244391,
-1.4391599343521237
],
[
-4.759871490111317,
0,
-1.4391599343521237
],
[
0,
0,
-8.59096939
]
] | [
40,
49,
49,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003538277> | R-3m | Cu-In-Zr | 0.021187 | null | null | 0.000001 | 1,741.006571 | 112.344208 |
[
[
1.611469295,
1.783567336224339,
4.069090015359147
],
[
1.6114692949999996,
6.198650418137931,
0.7914997099083726
],
[
1.6114692949999996,
5.71470220427811,
4.840026629664037
],
[
1.611469295,
1.2996191223645173,
8.117616935114812
],
[
-2.05351286... | [
[
3.22293859,
0,
1.9734807140459918e-16
],
[
-4.591365895960209e-16,
7.498269540502449,
-0.5824293149768156
],
[
0,
0,
9.49154596
]
] | [
40,
40,
40,
40,
49,
49,
49,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm002146060> | P2/m | Cu-In-Zr | 0.027069 | null | null | 0.000012 | 2,145.760066 | 95.838196 |
[
[
1.7871055599999999,
4.812928090536787,
1.2238231305367877
],
[
1.78710556,
1.2238231305367873,
2.3652818294632127
],
[
1.7871055599999996,
5.9543867894632125,
4.812928090536787
],
[
1.7871055599999999,
2.3652818294632127,
5.9543867894632125
],
[
... | [
[
3.57421112,
0,
2.1885731037924383e-16
],
[
-4.395385901067889e-16,
7.17820992,
4.395385901067889e-16
],
[
0,
0,
7.17820992
]
] | [
40,
40,
40,
40,
49,
49,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002146058> | P4/mbm | Cu-In-Zr | 0 | null | null | 0.000096 | 2,108.217119 | 114.112946 |
[
[
1.5788091849999997,
2.556391664467713,
1.0242386117073992
],
[
1.578809185,
1.5136372360600248,
4.826364572248991
],
[
0,
0,
0
],
[
-4.998926335322831e-17,
0.8163866249114892,
2.6031201517376057
],
[
-1.9922812992019748e-16,
3.253642275616248... | [
[
3.15761837,
0,
1.9334836148746912e-16
],
[
-2.4921739327342577e-16,
4.0700289005277375,
-1.27643637604361
],
[
0,
0,
7.12703956
]
] | [
40,
40,
49,
29,
29
] | [
1,
1,
1
] | alex<agm002334927> | Cmmm | Cu-In-Zr | 0.020356 | null | null | 0.000468 | 2,108.217119 | 111.299149 |
[
[
0,
0,
6.257825548314168
],
[
0,
0,
1.812153811685832
],
[
1.568403505,
1.568403505,
4.03498968
],
[
1.568403505,
1.568403505,
1.9207403321697398e-16
]
] | [
[
3.13680701,
0,
1.9207403321697398e-16
],
[
-1.9207403321697398e-16,
3.13680701,
1.9207403321697398e-16
],
[
0,
0,
8.06997936
]
] | [
40,
40,
49,
29
] | [
1,
1,
1
] | alex<agm003177359> | P4/mmm | Cu-In-Zr | 0.050645 | null | null | 0.000198 | 2,215.335964 | 108.889702 |
[
[
1.2034247404139349,
-0.9676706358995579,
2.59752193
],
[
2.759627514274428,
0.9676706358995577,
0.7614507576348633
],
[
2.4068494808278693,
-1.9353412717991159,
2.431347729068636e-18
],
[
0,
0,
0
]
] | [
[
0.8506467069673757,
-3.8706825435982317,
1.836071172365137
],
[
3.9630522546883626,
0,
-1.836071172365137
],
[
-0.8506467069673757,
3.8706825435982317,
3.3589726876348633
]
] | [
40,
40,
49,
29
] | [
1,
1,
1
] | alex<agm003177358> | I4/mmm | Cu-In-Zr | 0.099584 | null | null | 0.000083 | 2,215.335964 | 108.875183 |
[
[
7.645620889505765e-16,
3.061662489951417,
-3.330307041249369e-16
],
[
7.645620889505765e-16,
6.123324979902834,
-1.1098609919990558e-16
],
[
1.4495807556087672,
8.672483294078324,
2.4998370205821825e-8
],
[
1.4432815974569954e-8,
10.722500038004197,
2.49... | [
[
1.4432815388994247,
4.0822166532685555,
2.4998369550000006
],
[
1.4432815388994247,
4.0822166532685555,
-2.4998369549999997
],
[
-2.886563077798849,
4.0822166532685555,
0
]
] | [
40,
49,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002208172> | F-43m | Cu-In-Zr | 0.026898 | null | null | -0.000001 | 1,842.778113 | 125.486641 |
[
[
0,
0,
-7.184877655707343
],
[
0,
0,
-3.544292415707343
],
[
-2.24922454,
-1.298590393636912,
-5.113832955813797
],
[
-2.24922454,
1.2985903936369114,
-1.4732477158137973
],
[
-2.24922454,
-1.298590393636912,
-2.0524764045588606
],
[
... | [
[
-2.2492245400000006,
-3.895771180910737,
-5.509011266949356e-16
],
[
-2.2492245399999997,
3.895771180910737,
2.754505633474678e-16
],
[
0,
0,
-7.28117048
]
] | [
39,
39,
47,
47,
32,
32
] | [
1,
1,
1
] | alex<agm002152863> | P6_3mc | Ag-Ge-Y | 0.085134 | null | null | -0.000054 | 1,930.80758 | 77.064407 |
[
[
2.11100631,
0,
5.987666058577759
],
[
-1.2926185602606826e-16,
2.11100631,
1.2358617414222421
],
[
0,
0,
3.6117639
],
[
2.11100631,
2.11100631,
3.6117639000000006
],
[
2.11100631,
0,
1.743682463643096
],
[
-1.2926185602606826e-16,... | [
[
4.22201262,
0,
2.5852371205213653e-16
],
[
-2.5852371205213653e-16,
4.22201262,
2.5852371205213653e-16
],
[
0,
0,
7.2235278
]
] | [
39,
39,
47,
47,
32,
32
] | [
1,
1,
1
] | alex<agm003067300> | P4/nmm | Ag-Ge-Y | 0.093366 | null | null | -0 | 1,930.80758 | 70.154556 |
[
[
1.056310325,
0.44528361932527116,
1.7606859062003768
],
[
3.168930975,
3.7568118560722783,
5.98149501155254
],
[
1.0563103249999999,
3.1544980719000932,
3.6146440573746332
],
[
3.1689309750000003,
1.0475974034974562,
4.127536860378283
],
[
3.1689... | [
[
4.2252413,
0,
2.587214116835101e-16
],
[
-2.573041386828592e-16,
4.20209547539755,
-1.0582921422470832
],
[
0,
0,
8.80047306
]
] | [
57,
57,
14,
14,
14,
14,
77,
77
] | [
1,
1,
1
] | alex<agm002186256> | Cmcm | Ir-La-Si | 0 | null | null | 0.000006 | 5,773.27745 | 113.442047 |
[
[
1.0735191699999995,
6.9961111431023655,
6.707056716960577
],
[
3.2205575099999995,
3.8044756718976354,
2.589041781960577
],
[
3.22055751,
0.20428006689763492,
1.5289731530394228
],
[
1.0735191699999997,
3.3959155381023653,
5.646988088039423
],
[
... | [
[
4.29407668,
0,
2.6293636307276464e-16
],
[
-4.408968023967619e-16,
7.20039121,
4.408968023967619e-16
],
[
0,
0,
8.23602987
]
] | [
39,
39,
39,
39,
47,
47,
47,
47,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003067315> | Pnma | Ag-Ge-Y | 0.057716 | null | null | -0.000172 | 1,930.80758 | 77.583252 |
[
[
1.099897005,
1.2361252021085634,
2.928570447558375
],
[
3.299691015,
4.392466541695528,
2.8743108518385276
],
[
3.299691015,
4.4742785166931425,
-1.0592277547123277
],
[
1.099897005,
1.1543132271109486,
6.862109054109231
],
[
1.0998970049999999,
... | [
[
4.39958802,
0,
2.6939706931300207e-16
],
[
-3.44651843137845e-16,
5.628591743804091,
-2.058413690603097
],
[
0,
0,
7.86129499
]
] | [
39,
39,
39,
39,
47,
47,
32,
32
] | [
1,
1,
1
] | alex<agm003628628> | P2_1/m | Ag-Ge-Y | 0.084236 | null | null | 0.000751 | 2,096.8467 | 71.858788 |
[
[
2.1454025449999996,
4.830847156805373,
1.2545474218053732
],
[
2.1454025449999996,
5.898052048194628,
4.8308471568053735
],
[
2.145402545,
2.3217523131946276,
5.898052048194628
],
[
2.145402545,
1.2545474218053727,
2.3217523131946276
],
[
0,
... | [
[
4.29080509,
0,
2.6273603596168355e-16
],
[
-4.3797040232592776e-16,
7.15259947,
4.3797040232592776e-16
],
[
0,
0,
7.15259947
]
] | [
39,
39,
39,
39,
47,
47,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002980770> | P4/mbm | Ag-Ge-Y | 0.074315 | null | null | -0.000006 | 2,063.667408 | 77.158958 |
[
[
0.019809474103568325,
-2.816729187893127,
8.01232
],
[
2.816798845,
0,
1.7247918446856057e-16
],
[
0.019809474103568325,
-2.816729187893127,
4.00616
],
[
2.816798845,
0,
4.00616
],
[
0.025149369357172244,
-0.024973120979860576,
2.00308
... | [
[
0.03961894820713664,
-5.633458375786254,
-3.4495836893712115e-16
],
[
5.63359769,
0,
3.4495836893712115e-16
],
[
0,
0,
8.01232
]
] | [
41,
41,
41,
41,
47,
47,
47,
47,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205362 | Cmcm | Ag-Nb-O | 0.050958 | 0.9892 | null | 0.000009 | 3,989.949077 | 169.418747 |
[
[
-1.7196328639017305e-16,
2.80837359,
2.80837359
],
[
0,
0,
0
],
[
2.012340345,
0,
2.80837359
],
[
2.012340345,
2.80837359,
2.951835945051396e-16
],
[
2.012340345,
2.80837359,
2.8083735900000004
],
[
2.012340345,
0,
1.23220... | [
[
4.02468069,
0,
2.4644061622993306e-16
],
[
-3.439265727803461e-16,
5.61674718,
3.439265727803461e-16
],
[
0,
0,
5.61674718
]
] | [
41,
41,
47,
47,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1220387 | P4/mbm | Ag-Nb-O | 0.05353 | 1.0243 | null | 0.000016 | 3,989.949077 | 183.271683 |
[
[
0,
0,
0
],
[
2.011993,
2.011993,
2.0119930000000004
],
[
2.011993,
0,
1.2319903936784403e-16
],
[
-1.2319903936784403e-16,
2.011993,
1.2319903936784403e-16
],
[
0,
0,
2.011993
]
] | [
[
4.023986,
0,
2.4639807873568806e-16
],
[
-2.4639807873568806e-16,
4.023986,
2.4639807873568806e-16
],
[
0,
0,
4.023986
]
] | [
41,
47,
8,
8,
8
] | [
1,
1,
1
] | mp-12725 | Pm-3m | Ag-Nb-O | 0.07099 | 1.3336 | 190.271865 | -0.000014 | 3,989.949077 | 201.142883 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.