pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
-2.8286024700000003,
1.6330943974849401,
-3.535962857540467
],
[
-2.82860247,
-1.6330943974849403,
-4.6009990624595325
],
[
-2.82860247,
-1.6330943974849403,
-7.604443817540467
],
[
-2.8286024700000003,
1.6330943974849401,
-0.5325181024595327
],
[
... | [
[
-2.8286024700000003,
-4.8992831924548215,
-6.928077921891594e-16
],
[
-2.8286024699999994,
4.8992831924548215,
3.464038960945797e-16
],
[
0,
0,
-8.13696192
]
] | [
59,
59,
59,
59,
14,
14,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002355986> | P6_3/mmc | Ir-Pr-Si | 0.055634 | null | null | -0.000067 | 6,936.128301 | 160.112534 |
[
[
-6.611727384060882,
-4.887515222589367,
-2.911930949368679
],
[
-0.8445942533746268,
-1.4029212340608306,
-3.0216683113373732
],
[
-1.6347702706550853,
-0.09515042824130182,
-6.873325126337374
],
[
-7.4019034013413405,
-3.5797444167698385,
-6.76358776436... | [
[
-2.6179457261214307,
-4.982665650830668,
-1.0409712228530261
],
[
-5.628551928594536,
0,
-1.0409712228530261
],
[
0,
0,
-7.70331363
]
] | [
59,
59,
59,
59,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002242286> | C2/c | Ir-Pr-Si | 0.013253 | null | null | 0 | 6,337.090306 | 123.806145 |
[
[
0,
0,
0
],
[
3.7588763788575763,
4.190237134355548,
7.386228542948843
],
[
1.2314302132557464,
1.4461095117399512,
2.5274028054309694
],
[
0.6330446566654864,
2.8181733230477497,
4.343152338426915
],
[
3.1040993136516937,
3.114781612584675,
... | [
[
3.72421727878235,
0,
1.2273266715259834
],
[
1.2660893133309727,
5.636346646095499,
2.4222327468538296
],
[
0,
0,
6.26407193
]
] | [
59,
14,
14,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003475346> | Immm | Ir-Pr-Si | 0.03249 | null | null | -0.000001 | 7,977.161272 | 199.94133 |
[
[
-0.3208151020726942,
-0.598080894399076,
-1.701477466833666
],
[
0.3208151020726943,
0.5980808943990765,
-5.930777983166332
],
[
-2.277138450823187,
-0.981917683248404,
-4.867793912588865
],
[
2.2771384508231867,
0.9819176832484035,
-2.7644615374111354
... | [
[
-3.0733389760045937,
4.629057138283479,
-1.047664228950751
],
[
5.556400134162604,
0,
-1.047664228950751
],
[
-2.48306115815801,
-4.629057138283479,
-5.536926992098498
]
] | [
59,
59,
14,
14,
14,
14,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003365420> | Fmmm | Ir-Pr-Si | 0.09693 | null | null | 0.00003 | 7,180.887824 | 175.202866 |
[
[
1.0569265574999998,
3.723477493465718,
5.933580843399999
],
[
3.1707796725,
0.4391681481293186,
1.7282818943594729
],
[
1.0569265575,
1.0392258804227985,
4.089721258768107
],
[
3.1707796725,
3.1234197611722374,
3.572141478991364
],
[
3.1707796725... | [
[
4.22770623,
0,
2.5887234511524117e-16
],
[
-2.548885330482021e-16,
4.162645641595036,
-1.057756482240529
],
[
0,
0,
8.71961922
]
] | [
59,
59,
14,
14,
14,
14,
77,
77
] | [
1,
1,
1
] | alex<agm002240500> | Cmcm | Ir-Pr-Si | 0 | null | null | 0 | 5,759.528561 | 116.355858 |
[
[
-1.593088037431127e-16,
2.601710205,
1.593088037431127e-16
],
[
0,
0,
2.601710205
],
[
1.866305325,
0,
1.1427824212464554e-16
],
[
1.8663053249999997,
2.601710205,
2.6017102050000003
]
] | [
[
3.73261065,
0,
2.2855648424929107e-16
],
[
-3.186176074862254e-16,
5.20342041,
3.186176074862254e-16
],
[
0,
0,
5.20342041
]
] | [
66,
66,
81,
30
] | [
1,
1,
1
] | alex<agm001232352> | P4/mmm | Dy-Tl-Zn | 0.035503 | null | null | 0.004069 | 4,136.349025 | 54.301182 |
[
[
0,
0,
0
],
[
-4.331164911655813,
-2.7511167059409987,
-5.927747533762291
],
[
-1.1433199380861871,
-0.7262264647184358,
-2.751766248126139
],
[
-2.737242424871,
-1.738671585329717,
-4.339756890944215
]
] | [
[
-1.632853988477604,
-3.477343170659434,
-1.4874418059442154
],
[
-3.841630861264396,
0,
-1.4874418059442154
],
[
0,
0,
-5.70463017
]
] | [
59,
14,
14,
77
] | [
1,
1,
1
] | alex<agm001990334> | R-3m | Ir-Pr-Si | 0.033485 | null | null | 0 | 5,759.528561 | 137.605606 |
[
[
-3.0508394515673043,
-2.2703174006434015,
-3.539636991402434
],
[
-0.24650595920867005,
1.9622043264062161,
-1.0460893378496414
],
[
-0.722778299703231,
5.753364791922348,
-3.06723081006169
],
[
-1.1494081529089692,
2.270317400643403,
-4.877706069473421
... | [
[
-4.2002476044762735,
0,
0.989768299124145
],
[
-0.9692842589119012,
7.715569118328565,
-4.113320147911331
],
[
0.9692842589119012,
-7.715569118328565,
-5.293791212088669
]
] | [
59,
59,
59,
59,
14,
14,
14,
14,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003634127> | Immm | Ir-Pr-Si | 0.0578 | null | null | 0 | 5,759.528561 | 126.255241 |
[
[
3.9690965701585665,
-0.0060074997482620785,
4.204902943703007
],
[
2.865169707857324,
1.0292343164740587,
1.4235676654519809
],
[
1.1910961089658265,
-0.9330646350924022,
3.0009575279486125
],
[
1.3827696590590433,
1.620841194811375,
3.4838775710046
],... | [
[
0.6260744817356331,
-3.924597903132922,
1.5773898624966316
],
[
3.974221679518629,
0,
-1.5773898624966316
],
[
-0.6260744817356331,
3.924597903132922,
4.217815617503368
]
] | [
59,
14,
14,
14,
77
] | [
1,
1,
1
] | alex<agm002186864> | I4mm | Ir-Pr-Si | 0 | null | null | 0.000052 | 5,439.260769 | 112.29895 |
[
[
3.223600155,
1.238971849754795,
3.304366961805684
],
[
1.0745333849999998,
4.26981974003141,
3.750861787496223
],
[
1.074533385,
1.6088522241823435,
0.2690500972282629
],
[
3.2236001549999997,
3.899939365603862,
6.786178652073644
],
[
1.074533384... | [
[
4.29813354,
0,
2.6318477410344415e-16
],
[
-3.3731619938007683e-16,
5.508791589786206,
-1.3470422106980928
],
[
0,
0,
8.40227096
]
] | [
59,
59,
59,
59,
14,
14,
77,
77
] | [
1,
1,
1
] | alex<agm003629021> | P2_1/m | Ir-Pr-Si | 0.020005 | null | null | 0.000115 | 5,279.413775 | 87.467575 |
[
[
0.7814799523767407,
0,
4.692694280121606
],
[
3.403473676326794,
0,
7.656871418494514
],
[
2.0924768143517674,
2.133376825,
-0.3316267756919395
],
[
0.36311754548317093,
2.133376825,
2.179511126839847
],
[
3.8218360832203633,
2.133376825,
... | [
[
4.184953628703535,
0,
-0.6632535513838792
],
[
-2.6126331001113933e-16,
4.26675365,
2.6126331001113933e-16
],
[
0,
0,
13.01281925
]
] | [
59,
59,
59,
14,
14,
14,
14,
14,
14,
14,
77,
77
] | [
1,
1,
1
] | alex<agm002356883> | P2/m | Ir-Pr-Si | 0.094517 | null | null | 0.000181 | 4,986.661886 | 97.806801 |
[
[
2.6378219180790725,
-1.728940950965361,
0.5874764849676319
],
[
0.7945040056149705,
0.9436028923153374,
1.9251926120019933
],
[
1.468739322298425,
-0.6865248944373981,
3.5589576286283053
],
[
3.1669344900330296,
1.3303584197631133,
1.8695891083536746
]... | [
[
0.6971822190276687,
-4.033766628401023,
1.6893685202746311
],
[
4.093572554496879,
0,
-1.6893685202746311
],
[
-0.6971822190276687,
4.033766628401023,
4.114960739725369
]
] | [
57,
28,
32,
32,
32
] | [
1,
1,
1
] | mp-1207245 | I4mm | Ge-La-Ni | 0 | 0 | null | 0 | 2,244.651505 | 71.167496 |
[
[
3.4250821846170996,
2.120611985,
6.821757856952198
],
[
0.6912894085251821,
2.120611985,
3.6472985564289524
],
[
2.5041069388094574,
0,
1.9626182247216923
],
[
1.6122646543328245,
0,
8.506438188659459
],
[
0.23170322983654326,
0,
1.222484... | [
[
4.116371593142282,
0,
-0.7801949966188493
],
[
-2.597000679663765e-16,
4.24122397,
2.597000679663765e-16
],
[
0,
0,
11.24925141
]
] | [
57,
57,
28,
28,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002168161> | Cmmm | Ge-La-Ni | 0.083081 | null | null | 0.000058 | 2,244.651505 | 80.00631 |
[
[
1.7618412500000002,
-5.913502340529468,
3.414162168158169
],
[
5.28552375,
-1.9711464211131244,
1.1380419168418305
],
[
1.7618412499999994,
5.913502340529467,
3.414162168158171
],
[
5.285523750000001,
-5.913502340529467,
5.690246001841828
],
[
1.... | [
[
7.047365,
0,
4.3152664948365434e-16
],
[
-4.827954934173372e-16,
7.884648761642592,
4.552204085000001
],
[
4.827954934173372e-16,
-7.884648761642592,
4.552204084999998
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
28,
28,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-1211722 | P6_3/mcm | Ge-La-Ni | 0.065236 | 0 | null | 0.000002 | 2,734.02479 | 51.121464 |
[
[
0,
0,
0
],
[
2.787320319941353,
0.9673593401975856,
1.3633227516351365
],
[
1.1277269816072468,
-0.9673593401975855,
2.8906807749999994
],
[
2.7012804792512144,
-1.4149835929685335,
1.1427784913811563
],
[
1.2137668222973854,
1.41498359296853... | [
[
0.595860624880387,
-3.8694373607903425,
1.527358023364863
],
[
3.9150473015486003,
0,
-1.527358023364863
],
[
-0.595860624880387,
3.8694373607903425,
4.254003526635136
]
] | [
57,
28,
28,
32,
32
] | [
1,
1,
1
] | mp-19979 | I4/mmm | Ge-La-Ni | 0 | 0 | null | 0.000001 | 2,198.157649 | 100.677635 |
[
[
3.1734633675,
3.1683930302178953,
7.324412751463754
],
[
1.0578211225,
1.0627993127893134,
2.4206885770569158
],
[
1.0578211224999998,
3.1440483573293223,
0.009722352907146205
],
[
3.1734633675,
3.1795035066317805,
3.6596558890177344
],
[
1.05782... | [
[
4.23128449,
0,
2.5909145034801705e-16
],
[
-2.590858079720284e-16,
4.2311923430072085,
0.012473898520668499
],
[
0,
0,
9.73262743
]
] | [
57,
57,
28,
28,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002168920> | P4/nmm | Ge-La-Ni | 0.039009 | null | null | 0.000002 | 2,198.157649 | 108.298676 |
[
[
3.6847576749999997,
3.684757675,
3.6847576750000006
],
[
1.727224559324584,
1.727224559324584,
1.7272245593245843
],
[
5.642290790675417,
5.642290790675417,
1.727224559324585
],
[
5.642290790675417,
1.727224559324584,
5.642290790675417
],
[
1.727... | [
[
7.36951535,
0,
4.512526692322393e-16
],
[
-4.512526692322393e-16,
7.36951535,
4.512526692322393e-16
],
[
0,
0,
7.36951535
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
81,
81,
81,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003722724> | Pm-3m | Dy-Tl-Zn | 0.095713 | null | null | 0.009645 | 3,913.968952 | 52.551109 |
[
[
0,
0,
-3.4245757825
],
[
0,
0,
-10.2737273475
],
[
0,
0,
-6.849151565
],
[
0,
0,
0
],
[
-2.0358955,
1.1754248149669482,
-7.877453318668277
],
[
-2.0358955,
-1.1754248149669484,
-1.0283017536682768
],
[
-2.0358955,
... | [
[
-2.0358955000000005,
-3.5262744449008436,
-4.986505814947e-16
],
[
-2.0358954999999996,
3.5262744449008436,
2.4932529074735e-16
],
[
0,
0,
-13.69830313
]
] | [
57,
57,
28,
28,
28,
28,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002226454> | P6_3/mmc | Ge-La-Ni | 0.044731 | null | null | 0.000003 | 2,109.128098 | 100.851555 |
[
[
-3.1953593076420637,
-0.9451507487104264,
-2.096305639897243
],
[
-5.49235762815584,
-2.326288263154089,
-4.4544323779994786
],
[
-4.6301842955344386,
-3.760186536361776,
-8.44921856799948
],
[
-2.333185975020663,
-2.379049021918113,
-6.091091829897244
... | [
[
-2.4981608755623825,
-4.705337285072202,
-1.2779759139483615
],
[
-5.327382727614119,
0,
-1.2779759139483615
],
[
0,
0,
-7.98957238
]
] | [
57,
57,
57,
57,
28,
28,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm003395563> | C2/c | Ge-La-Ni | 0.046099 | null | null | 0.000003 | 2,512.217407 | 78.063408 |
[
[
2.1389983032609656,
1.1982418926126985,
5.344672798413955
],
[
0,
0,
0
],
[
2.0184214900018262e-8,
4.13922572929764,
1.2467283351229064
],
[
2.138998324438171,
1.9286758845367389,
2.1164943677020056
],
[
-9.92990888704838e-10,
3.4087917373736... | [
[
4.27799665,
0,
2.6195174520928e-16
],
[
-2.13899832655482,
5.3374676219103385,
-1.9377650564631392
],
[
0,
0,
8.52916619
]
] | [
57,
57,
57,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003337609> | C2/m | Ge-La-Ni | 0.06737 | null | null | 0.000081 | 2,449.442447 | 69.729729 |
[
[
2.04612738,
2.164353205,
3.9569792405390523
],
[
-1.3252841123637824e-16,
2.164353205,
9.100286822825945
],
[
0,
0,
1.5023328098585897
],
[
2.04612738,
0,
6.792699204633779
],
[
-1.3252841123637824e-16,
2.164353205,
6.089034098962106
],... | [
[
4.09225476,
0,
2.5057833465647605e-16
],
[
-2.650568224727565e-16,
4.32870641,
2.650568224727565e-16
],
[
0,
0,
10.68589158
]
] | [
57,
57,
57,
57,
28,
28,
28,
32
] | [
1,
1,
1
] | alex<agm003552877> | Pmm2 | Ge-La-Ni | 0.05111 | null | null | 0.000254 | 2,641.368866 | 70.162079 |
[
[
3.1223254804487484,
2.2799982666140193,
-1.1514239803609416
],
[
3.8609190386763106,
0.474627870418893,
1.8225890284755606
],
[
3.9479185547923716,
5.280053527943088,
-3.076983625277002
],
[
0.5923067669376408,
2.1077873661631,
1.8704350103015692
],
... | [
[
6.1910152743196365,
0,
-1.8251037578731968
],
[
-2.6569969614568882,
6.721794662207065,
-2.985731240013949
],
[
0,
0,
8.3993675
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm003743691> | C2/c | Ge-La-Ni | 0.071531 | null | null | -0.000004 | 2,836.405782 | 45.575527 |
[
[
-2.706112418920249,
-1.7351661050783238,
-4.288695808204724
],
[
-3.7793299219955694,
-2.423315873614591,
-7.121096874419224
],
[
-1.6328949158449286,
-1.0470163365420566,
-1.456294741990225
],
[
0,
0,
0
]
] | [
[
-1.5935195380176865,
-3.4703322101566476,
-1.5531088682047238
],
[
-3.818705299822811,
0,
-1.5531088682047238
],
[
0,
0,
-5.47117388
]
] | [
57,
28,
28,
32
] | [
1,
1,
1
] | alex<agm003627500> | R-3m | Ge-La-Ni | 0.034274 | null | null | -0.000056 | 2,264.001513 | 98.26152 |
[
[
-2.076786595,
-1.1990332996726563,
-2.4505934250000005
],
[
-2.076786595,
1.1990332996726558,
-7.351780275
],
[
-2.076786595,
-1.1990332996726563,
-5.361249594784798
],
[
-2.076786595,
1.1990332996726558,
-4.441124105215202
],
[
-2.076786595,
... | [
[
-2.0767865950000006,
-3.5970998990179694,
-5.086660112157761e-16
],
[
-2.0767865949999997,
3.5970998990179694,
2.5433300560788806e-16
],
[
0,
0,
-9.8023737
]
] | [
57,
57,
28,
28,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm002294914> | P6_3/mmc | Ge-La-Ni | 0.038198 | null | null | 0.000335 | 2,264.001513 | 104.246414 |
[
[
-0.5489610013541313,
-2.707977152811114,
-3.1914919606117897
],
[
0,
0,
0
],
[
0.6690195537243236,
-1.4568266832133836,
-8.55209720737579
],
[
1.1212056485968773,
-3.114785945649471,
-5.897295554939504
],
[
-1.001147096226686,
-1.050017890375... | [
[
4.144286696141464,
0,
-0.7096040615262756
],
[
0.12005855237019143,
-4.164803836024498,
0.7153676420124183
],
[
-4.144286696141464,
0,
-11.749352748473724
]
] | [
57,
57,
57,
28,
28,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002168970> | Immm | Ge-La-Ni | 0.01669 | null | null | 0.000117 | 2,331.134491 | 91.705009 |
[
[
0,
0,
0
],
[
0,
0,
7.737580080193505
],
[
0,
0,
4.233548409806494
],
[
1.800286475,
1.800286475,
9.848652197174395
],
[
1.800286475,
1.800286475,
2.122476292825604
],
[
1.800286475,
1.800286475,
5.985564245
]
] | [
[
3.60057295,
0,
2.2047150691570215e-16
],
[
-2.2047150691570215e-16,
3.60057295,
2.2047150691570215e-16
],
[
0,
0,
11.97112849
]
] | [
66,
66,
66,
81,
81,
30
] | [
1,
1,
1
] | alex<agm003418875> | P4/mmm | Dy-Tl-Zn | 0.004469 | null | null | 0.001396 | 4,463.573787 | 53.883148 |
[
[
0,
0,
0
],
[
-2.5552985676026068,
-1.541526988885646,
-6.287998276154362
],
[
-0.8221872699502553,
-0.4959983473616666,
-4.899673891767059
],
[
-3.196546202872045,
-1.9283704477517285,
-3.8161731821096176
],
[
-4.929657500524398,
-2.973899089... | [
[
-1.8292852886846453,
-3.4698974366373747,
-1.017601189131989
],
[
-3.922559481790007,
0,
-1.017601189131989
],
[
0,
0,
-8.06896908
]
] | [
57,
28,
28,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm003456025> | R-3m | Ge-La-Ni | 0.066398 | null | null | 0.000024 | 2,040.236732 | 117.140152 |
[
[
0,
0,
-4.2674655
],
[
0,
0,
0
],
[
-2.084826325,
-1.2036750399523688,
-6.40119825
],
[
-2.084826325,
1.2036750399523686,
-2.13373275
],
[
-2.084826325,
1.2036750399523686,
-6.40119825
],
[
-2.084826325,
-1.2036750399523688,
... | [
[
-2.0848263250000003,
-3.611025119857105,
-5.106351771378779e-16
],
[
-2.0848263249999994,
3.611025119857105,
2.5531758856893893e-16
],
[
0,
0,
-8.534931
]
] | [
57,
57,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm002297012> | P6_3/mmc | Ge-La-Ni | 0.017659 | null | null | 0.000878 | 2,429.935623 | 85.506538 |
[
[
1.1316145349999998,
2.1727242710501145,
3.571271328445695
],
[
3.3948436049999997,
4.812943168949886,
3.981582371554305
],
[
1.131614535,
1.3201094489498857,
7.347698178445696
],
[
3.3948436049999997,
5.665557991050115,
0.20515552155430555
],
[
1... | [
[
4.52645814,
0,
2.771656236312741e-16
],
[
-4.277487635151943e-16,
6.98566744,
4.277487635151943e-16
],
[
0,
0,
7.5528537
]
] | [
57,
57,
57,
57,
28,
28,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002168192> | Pnma | Ge-La-Ni | 0.044331 | null | null | -0.000027 | 2,429.935623 | 76.310104 |
[
[
1.7378173777289154,
-0.3121589424256794,
6.196727371368846
],
[
0.6449753997565004,
0.697862560161376,
2.299860071368845
],
[
3.280385979767549,
1.3568983181297618,
3.9034997918788323
],
[
2.506272887838788,
-1.6731661896314063,
1.143159272137414
],
... | [
[
0.3187288860436542,
-4.040086010348224,
1.1365267802585814
],
[
4.052639025846005,
0,
-1.1365267802585814
],
[
-0.3187288860436542,
4.040086010348224,
6.657207819741418
]
] | [
57,
57,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm002168189> | I4_1md | Ge-La-Ni | 0 | null | null | -0.00006 | 2,429.935623 | 84.706551 |
[
[
3.194389815,
1.2059195231230633,
1.3594759844870585
],
[
1.0647966049999997,
2.2899012518769366,
6.674908529487059
],
[
1.0647966049999995,
5.785722026876936,
9.271389105512943
],
[
3.1943898149999996,
4.701740298123064,
3.9559565605129423
],
[
3... | [
[
4.25918642,
0,
2.6079995081124373e-16
],
[
-4.2811457224965695e-16,
6.99164155,
4.2811457224965695e-16
],
[
0,
0,
10.63086509
]
] | [
57,
57,
57,
57,
28,
28,
28,
28,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003633985> | Pnma | Ge-La-Ni | 0.092187 | null | null | -0.000022 | 2,317.667044 | 76.424644 |
[
[
2.8191140928684257,
4.330735756133849,
7.245082472469734
],
[
1.8538623368460514,
3.8782314381842236,
1.587345038372057
],
[
3.438095888384594,
1.2671466185681777,
4.409758591787247
],
[
4.403347644406968,
1.719650936517802,
10.067496025884923
],
[
... | [
[
4.200595024688656,
0,
0.9170351509828979
],
[
2.0566149565643626,
5.597882374702026,
0.6586110232740828
],
[
0,
0,
10.07919489
]
] | [
57,
57,
57,
57,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002295619> | C2/m | Ge-La-Ni | 0.035539 | null | null | 0.000067 | 2,543.225075 | 64.920822 |
[
[
1.5764446241945946,
-1.3456267250210965,
-4.109271735
],
[
-3.4827230580089807,
-4.0801211363208765,
-5.156466484520691
],
[
-1.5764446241945942,
1.3456267250210963,
-4.109271735
],
[
3.48272305800898,
4.080121136320876,
-3.0620769854793086
],
[
... | [
[
-0.855680383198514,
5.382506900084386,
-2.0197501437167866
],
[
5.450098113579863,
0,
-2.0197501437167866
],
[
-4.594417730381349,
-5.382506900084386,
-4.179043182566427
]
] | [
57,
57,
57,
57,
28,
28,
28,
28,
28,
28,
32,
32
] | [
1,
1,
1
] | alex<agm003427797> | Fmmm | Ge-La-Ni | 0.059345 | null | null | 0.000133 | 2,399.38366 | 78.119072 |
[
[
0.7759280459470047,
0,
4.699207270110878
],
[
3.44973481262505,
0,
7.747740307518005
],
[
2.1128314292860275,
2.17349672,
-0.3488684611855587
],
[
1.5712735620653195,
2.17349672,
9.516011285083785
],
[
2.6543892965067357,
2.17349672,
2.93... | [
[
4.225662858572055,
0,
-0.6977369223711176
],
[
-2.661765801105271e-16,
4.34699344,
2.661765801105271e-16
],
[
0,
0,
13.1446845
]
] | [
57,
57,
57,
28,
28,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002168922> | Cmmm | Ge-La-Ni | 0.086471 | null | null | 0.000012 | 2,334.598378 | 75.332039 |
[
[
0,
0,
0
],
[
0,
0,
7.951485594574572
],
[
0,
0,
3.596689035425428
],
[
1.78218167,
1.78218167,
5.774087315
],
[
1.78218167,
1.78218167,
9.795670418258451
],
[
1.78218167,
1.78218167,
1.7525042117415488
]
] | [
[
3.56436334,
0,
2.1825430776645844e-16
],
[
-2.1825430776645844e-16,
3.56436334,
2.1825430776645844e-16
],
[
0,
0,
11.54817463
]
] | [
66,
66,
66,
81,
30,
30
] | [
1,
1,
1
] | alex<agm003434348> | P4/mmm | Dy-Tl-Zn | 0.003853 | null | null | 0.002766 | 3,753.848025 | 58.535339 |
[
[
2.143813094390476,
4.662724142094693,
5.809096066123902
],
[
2.159933050087054e-8,
0.907097804656514,
13.175113501123903
],
[
2.143813094390476,
4.662724142094693,
1.556921368876098
],
[
2.159933050087054e-8,
0.907097804656514,
8.922938803876097
],
[... | [
[
4.28762623,
0,
2.6254138692548667e-16
],
[
-2.143813114010193,
5.569821946751207,
3.654439783121709e-16
],
[
0,
0,
14.73203487
]
] | [
57,
57,
57,
57,
57,
57,
28,
28,
28,
28,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003329960> | Cmcm | Ge-La-Ni | 0.057433 | null | null | 0.000078 | 2,502.514611 | 77.482613 |
[
[
2.140865085,
0,
7.234347027107386
],
[
0,
0,
3.615792398282459
],
[
2.140865085,
2.16573882,
4.929269525995364
],
[
-1.326132556851083e-16,
2.16573882,
1.171068062988564
],
[
-1.326132556851083e-16,
2.16573882,
5.894674440091482
],
[
... | [
[
4.28173017,
0,
2.621803573751576e-16
],
[
-2.652265113702166e-16,
4.33147764,
2.652265113702166e-16
],
[
0,
0,
7.26463073
]
] | [
57,
57,
28,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003411524> | Pmm2 | Ge-La-Ni | 0.077342 | null | null | 0.000049 | 2,458.950511 | 72.19471 |
[
[
6.849828002227902,
6.6394944899106605,
7.301628330489885
],
[
2.9562665571693456,
2.9838804240247594,
9.023327482626843
],
[
1.0293592244813297,
0.9809577234565552,
5.669790443432951
],
[
4.922920669539885,
4.636571789342456,
3.9480912912959933
],
[
... | [
[
5.610373381629938,
0,
2.174019712381068
],
[
2.268813845079293,
7.620452213367216,
2.4711978315417675
],
[
0,
0,
8.32620123
]
] | [
57,
57,
57,
57,
28,
28,
28,
28,
28,
28,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003343038> | Ibam | Ge-La-Ni | 0.05275 | null | null | 0.000015 | 2,221.80137 | 91.165779 |
[
[
-3.734990221010934e-16,
10.402163029587786,
-2.941428716031422e-16
],
[
-0.8097332317172529,
8.111891593190316,
-1.4024990979112257
],
[
-0.8097332317172529,
8.111891593190316,
1.4024990979112242
],
[
1.6194664634345053,
8.111891593190316,
-2.94142871603... | [
[
2.046946723217882,
5.789639634859789,
3.5454157250000007
],
[
2.046946723217882,
5.789639634859789,
-3.545415724999999
],
[
-4.0938934464357635,
5.789639634859789,
0
]
] | [
75,
75,
75,
75,
33,
33,
33,
33,
33,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1209063 | F-43m | As-Re-S | 0.000743 | 0 | null | -0 | 3,273.733666 | 72.19445 |
[
[
-4.9033710032464555,
-3.4626621942340687,
-5.655433806541434
],
[
-2.4798887415189865,
-3.4739186677030873,
-7.046020239506989
],
[
-4.10332736674732,
-1.1750164260260878,
-7.046020239506991
],
[
-4.9193109542179085,
-3.4739186677030873,
-8.4494887125629... | [
[
-2.049988537596663,
-5.775512298111006,
-3.5259217548252595
],
[
-6.1285394108147155,
0,
-3.5259217548252595
],
[
0,
0,
-7.08908521
]
] | [
75,
75,
75,
75,
33,
33,
33,
33,
33,
33,
16,
16,
16
] | [
1,
1,
1
] | mp-1219545 | R3m | As-Re-S | 0 | 0 | null | 0 | 3,372.389316 | 77.770035 |
[
[
-5.300056430103735,
-3.7470492443766052,
-6.502201172145581
],
[
-0.7369585179712965,
-0.5210170673309604,
-3.9517736090970423
],
[
-3.0185074740375155,
-2.134033155853783,
-5.226987390621312
],
[
-2.263616207453816,
0,
-1.3062886828106557
],
[
-... | [
[
-1.5097825331673989,
-4.268066311707566,
-2.6125773656213114
],
[
-4.527232414907632,
0,
-2.6125773656213114
],
[
0,
0,
-5.22882005
]
] | [
39,
39,
13,
26,
26,
26
] | [
1,
1,
1
] | mp-1216110 | R-3m | Al-Fe-Y | 0.042158 | 0 | null | 0.039911 | 1,944.093634 | 98.383423 |
[
[
-4.659670981554211,
-0.02721175143929278,
-1.8882696852380698
],
[
-6.183240821968606,
-4.028945653111635,
1.8137213836286539
],
[
-5.433648683656939,
-2.0601036658660856,
-0.007647960731520987
],
[
-3.831375268557262,
-2.0435628301988333,
2.704327275636... | [
[
-4.649310721522819,
0,
-1.9134431883424086
],
[
-2.3255353605817244,
-6.1081372478773375,
-0.9545833592281388
],
[
-4.649310721522819,
0,
4.6917581516575915
]
] | [
39,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | mp-1215964 | Imm2 | Al-Fe-Y | 0.011886 | 0 | null | 0.044316 | 1,455.904168 | 130.740326 |
[
[
2.6960955078323647,
1.5596035763325264,
-2.67020390646619
],
[
0.024665757181944626,
3.126182914540157,
-1.5459380347530793
],
[
0.024665757181944626,
3.126182914540157,
-7.212019065246919
],
[
2.6960955078323647,
1.5596035763325264,
-6.08775319353381
... | [
[
-2.614720396257968,
4.673971252423108,
3.27937741537792e-16
],
[
5.35562975,
0,
3.27937741537792e-16
],
[
0,
0,
-8.7579571
]
] | [
39,
39,
39,
39,
13,
13,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | mp-1216021 | Amm2 | Al-Fe-Y | 0.041365 | 0 | null | 0.029419 | 1,958.394403 | 86.182549 |
[
[
1.783361965,
1.783361965,
2.1659312708706038
],
[
1.783361965,
1.783361965,
5.708804655129086
],
[
1.783361965,
1.783361965,
9.282795455
],
[
1.783361965,
1.783361965,
12.856786254870917
],
[
1.783361965,
1.783361965,
16.399659639129396
... | [
[
3.56672393,
0,
2.1839885221583842e-16
],
[
-2.1839885221583842e-16,
3.56672393,
2.1839885221583842e-16
],
[
0,
0,
18.56559091
]
] | [
66,
66,
66,
66,
66,
81,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003645184> | P4/mmm | Dy-Tl-Zn | 0.004391 | null | null | 0.000036 | 3,397.954063 | 58.387276 |
[
[
2.6975180450480476,
1.5701008543383996,
1.5913556409100005
],
[
9.661036609706791e-11,
3.157003802570137,
2.5901416552140004
],
[
9.661036609706791e-11,
3.157003802570137,
5.999940344786001
],
[
2.6975180450480476,
1.5701008543383996,
6.998726359090002
... | [
[
5.39503609,
0,
3.303506839451476e-16
],
[
-2.6975180448566154,
4.6854695742715595,
3.310525694390833e-16
],
[
0,
0,
8.590082
]
] | [
39,
39,
39,
39,
13,
13,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | mp-1216033 | Amm2 | Al-Fe-Y | 0.045875 | 0 | null | 0.028989 | 1,958.394403 | 86.477142 |
[
[
0.7351931556581563,
-3.350880072561726,
-4.083435501870273
],
[
-0.33912352407637975,
-1.5519628683540578,
-1.0260313521712328
],
[
1.873627885288909,
-3.8835507676451155,
-0.6390571492083728
],
[
-1.4775582537071317,
-1.0192921732706683,
-4.470409704833... | [
[
3.7590471721062384,
0,
-1.2424389573701056
],
[
0.3960696315817768,
-4.902842940915784,
1.198324005958494
],
[
-3.7590471721062384,
0,
-5.065351902629894
]
] | [
39,
39,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002197033> | C2/m | Al-Fe-Y | 0.077805 | null | null | 0.018484 | 1,958.394403 | 86.773888 |
[
[
-2.3516290460799056,
-1.6825436075488078,
-3.950545026765354
],
[
-3.939027043055808,
-2.8182951653465134,
-6.617244212550693
],
[
0,
0,
-2.704887295
],
[
-0.7675989633871431,
-2.2504193864476605,
-1.2895036623290117
],
[
-2.3777290811807137,
... | [
[
-1.5351979267742861,
-4.500838772895321,
-2.5790073246580234
],
[
-4.755458162361427,
0,
-2.5790073246580234
],
[
0,
0,
-5.40977459
]
] | [
39,
39,
13,
13,
13,
26
] | [
1,
1,
1
] | mp-1216123 | R-3m | Al-Fe-Y | 0.024099 | 0 | null | null | 1,975.319252 | 86.387512 |
[
[
2.6530278658113917,
1.5889659525552982,
9.103006897437272
],
[
5.2683686286670035,
0.03744071131245746,
4.770644974231555
],
[
5.225822993925364,
3.139046700407967,
0.526149532828924
],
[
2.6024137979163555,
1.5056265798869661,
12.311933111648504
],
... | [
[
5.265044527452665,
0,
0.046884125100411934
],
[
2.5631922643890546,
4.644673280294933,
0.0028029693770141415
],
[
0,
0,
12.78839555
]
] | [
39,
39,
39,
39,
39,
39,
13,
13,
13,
13,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | mp-1216185 | P-1 | Al-Fe-Y | 0.048758 | 0 | null | 0.037727 | 1,948.607663 | 93.482285 |
[
[
0,
0,
0
],
[
-6.533841163752659,
-1.3315406794402795,
2.6053817303655102
],
[
-5.105916545793553,
-4.8980351208838435,
-0.5381930568063853
],
[
-8.73620687869244,
-4.8980351208838435,
1.7182347300747505
],
[
-2.9035508308537716,
-1.3315406794... | [
[
-4.682886043276323,
0,
-1.8863389842708425
],
[
-2.2739856229935667,
-6.229575800324123,
-0.9159966078991902
],
[
-4.682886043276323,
0,
4.869524265729158
]
] | [
39,
13,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26
] | [
1,
1,
1
] | mp-1216193 | C2/m | Al-Fe-Y | 0.007981 | 0 | null | 0.01766 | 1,419.134719 | 108.513512 |
[
[
0,
0,
0
],
[
-3.1174426494900036,
-4.0580743302308875,
0.9881024435118247
],
[
-6.186169259736163,
-4.0580743302308875,
1.8569258448881598
],
[
-5.443345625419942,
-2.0934590989525668,
0.03815536561668852
],
[
-3.860266282451827,
-2.093459098... | [
[
-4.651805953214275,
0,
-1.8998941557950628
],
[
-2.325902978727556,
-6.151533429183455,
-0.9499470779050275
],
[
-4.651805953214275,
0,
4.744922444204938
]
] | [
39,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | mp-4656 | I4/mmm | Al-Fe-Y | 0 | 0 | 123.097298 | 0.028614 | 1,438.524193 | 122.360435 |
[
[
-2.737729596069626,
-1.358716627931968,
-1.2385763373340775
],
[
-1.092373035185628,
1.3587166279319687,
-2.6807825067380886
],
[
0,
0,
0
],
[
-1.1454049577050636,
-3.2725619385751767,
-2.8109275954185904
],
[
-1.6131991431904158,
-1.28348548... | [
[
-3.8301026312552544,
0,
1.5607013659278341
],
[
-1.071498530359775,
4.556047425676822,
-2.6295545260046094
],
[
1.071498530359775,
-4.556047425676822,
-2.850505683995391
]
] | [
39,
39,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002134746> | Immm | Al-Fe-Y | 0.05563 | null | null | 0.020785 | 2,040.101591 | 85.035378 |
[
[
0,
0,
0
],
[
1.9937316399999998,
2.2989933725380345,
1.3273244425000008
],
[
1.9937316400000002,
-2.298993372538035,
1.3273244424999997
],
[
1.99373164,
-1.8884967228482597e-16,
2.654648885
],
[
3.98746328,
-1.5326622483586905,
2.65464888... | [
[
3.98746328,
0,
2.4416170712848033e-16
],
[
-2.815454874939683e-16,
4.59798674507607,
2.6546488850000007
],
[
2.815454874939683e-16,
-4.59798674507607,
2.654648884999999
]
] | [
39,
13,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002195742> | P6/mmm | Al-Fe-Y | 0.066915 | null | null | 0.030364 | 1,663.937809 | 122.044792 |
[
[
2.6197079568352137,
4.633593301619989,
2.784314898106113
],
[
5.615757257055195,
-0.12950049495773172,
0.251742057860044
],
[
0,
0,
0
],
[
2.747329652450313,
3.3694306375493137,
6.1229490529830795
],
[
1.263971582049075,
0.129500494957733,
... | [
[
1.3850695342036434,
-6.738861275098627,
3.086892097016922
],
[
6.879728839104271,
0,
-3.086892097016922
],
[
-1.3850695342036434,
6.738861275098627,
6.1229490529830795
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
81,
81,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003478068> | I4/mcm | Dy-Tl-Zn | 0.018248 | null | null | 0.000706 | 3,568.69479 | 57.297813 |
[
[
0,
0,
0
],
[
2.10632508,
2.10632508,
2.5795042671857924e-16
],
[
2.10632508,
0,
4.743122613114256
],
[
-1.2897521335928962e-16,
2.10632508,
2.169290246885744
],
[
2.10632508,
0,
2.169290246885744
],
[
-1.2897521335928962e-16,
... | [
[
4.21265016,
0,
2.5795042671857924e-16
],
[
-2.5795042671857924e-16,
4.21265016,
2.5795042671857924e-16
],
[
0,
0,
6.91241286
]
] | [
39,
13,
13,
13,
13,
13,
26
] | [
1,
1,
1
] | alex<agm002249164> | P4/mmm | Al-Fe-Y | 0.025298 | null | null | 0.000003 | 1,588.529706 | 90.131271 |
[
[
0,
0,
0
],
[
-2.1056045602977077e-16,
3.438713205740156,
1.9853419950000006
],
[
1.2749966521741774e-33,
-6.23153522405322e-17,
3.9706839899999995
],
[
2.105604560297708e-16,
-3.4387132057401555,
1.9853419949999995
],
[
1.8756397050000002,
-1... | [
[
3.75127941,
0,
2.2969961610819356e-16
],
[
-4.211209120595416e-16,
6.877426411480312,
3.9706839900000013
],
[
4.211209120595416e-16,
-6.877426411480312,
3.9706839899999986
]
] | [
39,
13,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002252159> | P6/mmm | Al-Fe-Y | 0.094131 | null | null | 0.000095 | 1,421.544522 | 92.45945 |
[
[
-7.65646600945413e-17,
1.25039579,
4.75584457939965
],
[
-2.296939802836239e-16,
3.7511873700000002,
2.1572125706003504
],
[
1.9750078149999999,
3.7511873700000002,
4.637954487556413
],
[
1.975007815,
1.25039579,
2.2751026624435875
],
[
-2.296939... | [
[
3.95001563,
0,
2.418686998930758e-16
],
[
-3.062586403781652e-16,
5.00158316,
3.062586403781652e-16
],
[
0,
0,
6.91305715
]
] | [
39,
39,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm002329285> | Pmma | Al-Fe-Y | 0 | null | null | 0.054269 | 1,821.370529 | 103.31321 |
[
[
1.7865729207596344e-32,
3.6484124608665185e-16,
5.0784299119520675
],
[
3.8314186,
2.9080005996715568,
1.6789349290239672
],
[
1.7806368131531776e-16,
-2.9080005996715563,
1.6789349290239657
],
[
1.9157093000000005,
-5.530762563019473,
3.193187254583196
... | [
[
3.8314186,
0,
2.346067262341817e-16
],
[
-4.473665321261313e-16,
7.306049914760817,
4.218149885000002
],
[
4.473665321261313e-16,
-7.306049914760817,
4.218149884999998
]
] | [
39,
39,
39,
39,
39,
39,
13,
13,
26
] | [
1,
1,
1
] | alex<agm002133404> | P-62m | Al-Fe-Y | 0.060358 | null | null | -0.002214 | 2,361.591061 | 57.622074 |
[
[
-2.6338502460939597,
-1.6131469549390853,
-8.70484026498824
],
[
-6.9874812060955085,
-4.279603233715872,
-2.999224797625259
],
[
-3.526084882324279,
-2.1596114278758565,
-5.749622195732939
],
[
-6.125199132946703,
-3.7514837240127625,
-5.855235209008812... | [
[
-2.1914148614511606,
-4.295741302812627,
-1.4559759302280977
],
[
-4.82241562245306,
0,
-1.4559759302280977
],
[
0,
0,
-8.71427811
]
] | [
39,
39,
39,
13,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm003585287> | R3m | Al-Fe-Y | 0.046634 | null | null | 0.072974 | 1,817.671211 | 114.541237 |
[
[
2.423212823026637,
4.9580406375,
1.3202547960909903
],
[
1.4848274111678488,
1.6526802125,
5.769562547505169
],
[
0.7362736858709756,
0.3596930895593845,
2.8609231286844583
],
[
3.17176654832351,
6.251027760440615,
4.228894214911701
],
[
3.171766... | [
[
3.908040234194486,
0,
-1.0057548064038415
],
[
-4.047899064504585e-16,
6.61072085,
4.047899064504585e-16
],
[
0,
0,
8.09557215
]
] | [
39,
39,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002134176> | Cmcm | Al-Fe-Y | 0.070497 | null | null | 0.001766 | 1,651.37451 | 94.130707 |
[
[
1.0049832025,
1.5892938481681393,
10.627089440365838
],
[
3.0149496075,
2.5385358368318607,
5.262946205365838
],
[
1.0049832024999996,
5.71712353316814,
5.465340264634164
],
[
3.0149496074999997,
6.66636552183186,
0.1011970296341637
],
[
3.014949... | [
[
4.01993281,
0,
2.4614989242769625e-16
],
[
-5.055133411160677e-16,
8.25565937,
5.055133411160677e-16
],
[
0,
0,
10.72828647
]
] | [
39,
39,
39,
39,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm002133876> | Pnma | Al-Fe-Y | 0.050203 | null | null | 0.00168 | 1,729.24531 | 90.035744 |
[
[
2.121546,
0,
1.2990722590719352e-16
],
[
-1.2990722590719352e-16,
2.121546,
1.2990722590719352e-16
],
[
0,
0,
2.121546
],
[
2.121546,
2.121546,
2.1215460000000004
],
[
0,
0,
0
]
] | [
[
4.243092,
0,
2.5981445181438705e-16
],
[
-2.5981445181438705e-16,
4.243092,
2.5981445181438705e-16
],
[
0,
0,
4.243092
]
] | [
12,
12,
12,
33,
7
] | [
1,
1,
1
] | mp-1206514 | Pm-3m | As-Mg-N | 0 | 2.2818 | null | 0.000004 | 2,120.243779 | 82.644424 |
[
[
-3.4695491695428106e-16,
5.666203793548386,
5.574814014511561
],
[
1.1471147890079745e-32,
-3.105915859627991e-16,
6.54276857097688
],
[
3.4695491695428106e-16,
-5.666203793548386,
5.574814014511558
],
[
1.8668677350000007,
-3.009663566668916,
7.10856822... | [
[
3.73373547,
0,
2.286253596099219e-16
],
[
-4.691029436915182e-16,
7.661032454714714,
4.423099150000001
],
[
4.691029436915182e-16,
-7.661032454714714,
4.423099149999998
]
] | [
66,
66,
66,
66,
66,
66,
81,
81,
30
] | [
1,
1,
1
] | alex<agm002385134> | P-62m | Dy-Tl-Zn | 0.022 | null | null | 0.000232 | 4,004.870079 | 51.315784 |
[
[
2.127918355,
2.99786295,
2.9978629500000005
],
[
-8.416742817729238e-17,
1.374558415306242,
4.372421365306242
],
[
-2.6773359147728947e-16,
4.372421365306242,
4.621167484693758
],
[
-9.939873512270473e-17,
1.623304534693758,
1.3745584153062422
],
[
... | [
[
4.25583671,
0,
2.605948402297651e-16
],
[
-3.671323265999942e-16,
5.9957259,
3.671323265999942e-16
],
[
0,
0,
5.9957259
]
] | [
12,
12,
12,
12,
12,
12,
33,
33,
7,
7
] | [
1,
1,
1
] | alex<agm003107019> | P4/mbm | As-Mg-N | 0.057978 | null | null | -0 | 2,120.243779 | 83.338745 |
[
[
-4.484762724684306,
-1.2271306155627264,
-7.395806760419218
],
[
-1.8330658928734518,
-1.0860065206993692,
-5.99071887071841
],
[
-4.384841647193643,
-1.3682547104260836,
-4.396509535419217
],
[
-2.4478165368468523,
-3.681391846688179,
-4.569879822454418... | [
[
-1.728581928228596,
-4.908522462250906,
-2.9835460664368183
],
[
-5.203997333302563,
0,
-2.9835460664368183
],
[
0,
0,
-5.99859445
]
] | [
12,
12,
12,
12,
12,
12,
33,
33,
7,
7
] | [
1,
1,
1
] | alex<agm003107041> | R-3c | As-Mg-N | 0.056835 | null | null | 0 | 2,120.243779 | 82.803078 |
[
[
2.6633382296561496,
3.5968822174310375,
4.388444376842967
],
[
5.261883627482905,
3.5968822174310375,
5.886743399828998
],
[
1.674057408380594,
1.3123911364085952,
6.104184082972558
],
[
4.272602806207349,
1.3123911364085952,
7.602483105958589
],
[
... | [
[
5.19709079565351,
0,
2.996598045972062
],
[
1.7388502402099888,
4.909273353839633,
2.989294386829494
],
[
0,
0,
6.00503505
]
] | [
12,
12,
12,
12,
12,
12,
33,
33,
7,
7
] | [
1,
1,
1
] | alex<agm003107049> | Imma | As-Mg-N | 0.056788 | null | null | 0.000002 | 2,120.243779 | 82.578957 |
[
[
2.6121179672642896,
0.859956355653796,
2.422145080337497
],
[
2.6121179672642896,
2.529026716977763,
-0.45862358055945524
],
[
0.056789467264289746,
4.162596669012782,
0.4878401973553361
],
[
0.05678946726428985,
2.4935263076888146,
3.3686088582522884
... | [
[
5.110657,
0,
3.1293748682950074e-16
],
[
-3.0754267426028905e-16,
5.0225530246665775,
-2.879400232307167
],
[
0,
0,
5.78938551
]
] | [
12,
12,
12,
12,
33,
33,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | alex<agm002163575> | Cmc2_1 | As-Mg-N | 0 | null | null | 0 | 2,083.949908 | 113.673767 |
[
[
-5.498730172391285,
2.0179157720891947,
2.3824788928202456
],
[
-2.59296021767646,
-2.0179157720891934,
0.4746320569202987
],
[
-3.905413709899515,
4.971420618793791,
0.130169238577925
],
[
-4.186276680168231,
-4.97142061879379,
2.726941711162619
],
... | [
[
-3.7705117517961906,
-6.989336390882984,
-3.2513003970210583
],
[
0,
0,
8.5812899
],
[
-4.3211786382715545,
6.989336390882984,
-2.472878553238396
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
27,
27,
27,
27,
50,
50
] | [
1,
1,
1
] | mp-1209038 | Immm | Co-Sm-Sn | 0.03163 | 0 | null | 0.000035 | 2,902.226786 | 40.603584 |
[
[
1.2571641142193584,
4.902401552433986,
-5.115241887711002
],
[
-1.2571641142193575,
-4.902401552433986,
-3.525554292288997
],
[
0.3303312150291188,
-2.152778986006886,
-5.77061171580969
],
[
-0.33033121502911966,
2.152778986006887,
-2.870184464190309
]... | [
[
-4.073310383953235,
-7.0551805384408715,
-2.880265394610353
],
[
-4.0733103812442675,
7.0551805384408715,
-2.880265392694824
],
[
8.146620765197502,
0,
-2.880265392694824
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
27,
27,
27,
27,
27,
27,
50
] | [
1,
1,
1
] | mp-1209134 | Im-3 | Co-Sm-Sn | 0 | 0.0303 | null | 0 | 2,959.658889 | 35.309776 |
[
[
3.360968993285738,
2.439750764024956,
4.143207669878605
],
[
2.412388932891433,
5.262041866200585,
7.614334941423761
],
[
0,
0,
0
],
[
4.342122416455358,
2.9343059741896287,
8.773865044665126
],
[
1.4312355097218126,
4.767486656035912,
2.... | [
[
4.180976158847722,
0,
1.1425656006562381
],
[
1.592381767329449,
7.70179263022554,
2.3939970606461274
],
[
0,
0,
8.22097995
]
] | [
62,
62,
62,
27,
27,
27,
27,
27,
27,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-22002 | Immm | Co-Sm-Sn | 0.028068 | 0 | null | 0.012804 | 2,362.091873 | 102.071495 |
[
[
1.5746420885202774,
2.7273601004488763,
-2.226880196173002
],
[
1.5746420874730567,
-2.727360100448877,
-2.2268801969134993
],
[
3.149284175993334,
0,
-4.453760393086501
],
[
1.4552422692612954,
-2.196167948219686e-18,
-0.5145058383036657
],
[
4.... | [
[
-3.1492841770405544,
-5.454720200897754,
-2.226880197653996
],
[
-3.1492841749461133,
5.454720200897754,
-2.2268801961730023
],
[
6.298568351986668,
0,
-2.2268801961730023
]
] | [
62,
62,
62,
27,
27,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002333449> | I-43m | Co-Sm-Sn | 0.079923 | null | null | 0.004325 | 2,405.68486 | 77.028595 |
[
[
2.2689303070222304,
4.722198770992289,
2.889334594231103
],
[
4.104951633793864,
0.9679309615173989,
6.9124323314086045
],
[
6.006733876286284,
3.38106766028392,
10.763306101064869
],
[
4.170712549514651,
7.13533546975881,
6.740208363887367
],
[
... | [
[
5.886166053340414,
0,
2.2475365838825487
],
[
2.389498129968101,
8.103266431276209,
2.5735745614134222
],
[
0,
0,
8.83152955
]
] | [
62,
62,
62,
62,
27,
27,
27,
27,
27,
27,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003346119> | Ibam | Co-Sm-Sn | 0.038812 | null | null | 0.000293 | 2,202.724186 | 75.799416 |
[
[
-0.5860311359731699,
-2.9602214793031716,
-2.2405503432542697
],
[
0.8074228206176659,
-2.090687238824454,
-5.614937685244721
],
[
0,
0,
0
],
[
-0.9152384666035527,
-0.5593844028601829,
-3.499196314706583
],
[
1.1366301512480488,
-4.491524315... | [
[
4.260618351031028,
0,
-1.1143935781564738
],
[
0.22139168464449577,
-5.0509087181276255,
0.8464383615010087
],
[
-4.260618351031028,
0,
-7.587532811843527
]
] | [
62,
62,
62,
27,
27,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002263167> | C2/m | Co-Sm-Sn | 0.078914 | null | null | 0.000007 | 2,471.57454 | 74.253517 |
[
[
-1.8135964855263902,
-3.577722844269584,
-6.571887210375779
],
[
2.1149218311904887,
-6.431328321025815,
-2.006207054165158
],
[
1.2863378449035532,
-4.612538917743293,
-5.008727625844951
],
[
0.17912640748685013,
-1.5142498408156937,
-9.020903899934646
... | [
[
4.959432785950887,
0,
-1.3686190068612356
],
[
0.4024548471294249,
-6.608806701497389,
1.4583662463492963
],
[
-4.959432785950887,
0,
-8.301380983138765
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
81,
81,
30
] | [
1,
1,
1
] | alex<agm003531309> | C2/m | Dy-Tl-Zn | 0.059036 | null | null | -0 | 3,839.112656 | 49.839359 |
[
[
2.2607666,
2.2832934349078653,
-0.38042792982091667
],
[
-2.277956448848305e-16,
3.720185200229661,
8.146814538671398
],
[
-5.1827154772577764e-17,
0.8464016695860691,
5.024541701686767
],
[
2.2607666,
1.7076832884922208,
10.086291499594301
],
[
... | [
[
4.5215332,
0,
2.768640580309245e-16
],
[
-2.796227996574083e-16,
4.566586869815731,
-0.7608558596418336
],
[
0,
0,
13.9322121
]
] | [
62,
62,
62,
27,
27,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002143901> | Cmmm | Co-Sm-Sn | 0.001401 | null | null | 0.000498 | 2,175.943703 | 56.004227 |
[
[
2.23450345,
0.2551251152120999,
0.6502452570768511
],
[
2.23450345,
1.5912716996743879,
4.055723698435384
],
[
-1.3287300911410972e-16,
2.169980915421836,
-0.7785880981058334
],
[
-6.600519200659959e-17,
1.0779465892133957,
2.7473960787543867
],
[
... | [
[
4.4690069,
0,
2.7364774977262177e-16
],
[
-2.6271432123262706e-16,
4.290450461562289,
-1.6833672376169881
],
[
0,
0,
6.30928592
]
] | [
62,
27,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003718059> | Amm2 | Co-Sm-Sn | 0.097546 | null | null | 0.000617 | 2,113.538385 | 62.789249 |
[
[
3.1502078695512954,
-1.4046571085797426,
1.575173214262552
],
[
4.3037505758157755,
-0.049190172865163515,
4.459719813759363
],
[
1.84071048482336,
-0.39022836541628464,
4.602876880489807
],
[
0.7843906015704413,
0.9216958499586146,
1.9614454740312781
... | [
[
0.6949655724902744,
-4.289682287761183,
1.7378294913183654
],
[
4.345612877015019,
0,
-1.7378294913183654
],
[
-0.6949655724902744,
4.289682287761183,
4.564400598681635
]
] | [
62,
27,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002206556> | I4mm | Co-Sm-Sn | 0.062646 | null | null | 0.000026 | 2,113.538385 | 56.566982 |
[
[
1.1640179699999997,
4.936782446321952,
0.23622935327983238
],
[
3.49205391,
2.2220959536780476,
7.396210406720168
],
[
1.1640179699999995,
5.801535153678048,
4.052449233279832
],
[
3.49205391,
1.357343246321952,
3.579990526720168
],
[
1.164017969... | [
[
4.65607188,
0,
2.8510217622209995e-16
],
[
-4.3835487590225623e-16,
7.1588784,
4.3835487590225623e-16
],
[
0,
0,
7.63243976
]
] | [
62,
62,
62,
62,
27,
27,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002206586> | Pnma | Co-Sm-Sn | 0.052022 | null | null | -0.00025 | 2,485.255141 | 88.060432 |
[
[
-1.4545088306108447,
-0.9317053065926684,
-3.828762768018124
],
[
1.8032692413917657,
-4.106115478712812,
-1.4229900945245273
],
[
1.3300450886871782,
-1.8015954438290653,
-2.668677345216494
],
[
-0.9812846779062568,
-3.2362253414764144,
-2.5830755173261... | [
[
4.0965049849098865,
0,
-1.556221431907723
],
[
0.34876041078092196,
-5.03782078530548,
0.9180562174573498
],
[
-4.0965049849098865,
0,
-4.6135876480922775
]
] | [
62,
62,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm002206584> | C2/m | Co-Sm-Sn | 0.070667 | null | null | 0.000015 | 2,485.255141 | 82.222862 |
[
[
0,
0,
0
],
[
1.1479845792460925,
3.1710735699285633,
0.7559763150338046
],
[
3.6368854324765625,
3.1710735699285633,
1.8141319305477273
],
[
0,
0,
3.45616498
],
[
2.48890085323047,
0,
4.514320595513922
],
[
4.2140814026649105,
... | [
[
4.97780170646094,
0,
2.1163112310278454
],
[
2.295969158492185,
6.3421471398571265,
1.5119526300676092
],
[
0,
0,
6.91232996
]
] | [
62,
27,
27,
27,
27,
27,
27,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003695746> | Immm | Co-Sm-Sn | 0.066287 | null | null | 0.000083 | 2,105.253578 | 123.95359 |
[
[
-1.317227647808071,
2.0417655705875286,
-3.8713514762604633
],
[
-1.533246106781314,
-4.084802200641901,
-4.319746844470342
],
[
0.775458097893576,
-5.050390884219551,
-6.774113520063328
],
[
-3.594803985523737,
0.8687556595450429,
-1.2902391704598666
... | [
[
-5.621855302766812,
0,
1.9685016310162258
],
[
-0.9955303827944465,
6.483674081018742,
-2.8431410334616576
],
[
0.9955303827944465,
-6.483674081018742,
-6.145607796538343
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm003735232> | C2/m | Co-Sm-Sn | 0.098851 | null | null | 0.000109 | 2,841.185179 | 50.402264 |
[
[
0,
0,
0
],
[
1.8884430202186833,
3.2708792574924783,
-6.676654324407957
],
[
-1.888443018962769,
3.2708792574924783,
-1.335330864703978
],
[
0,
0,
-4.005992595
],
[
3.776886039181453,
-3.472616746756898e-34,
-1.335330864703978
],
[
... | [
[
-3.776886040437368,
-6.541758514984957,
-2.6706617311840883
],
[
-3.776886037925538,
6.541758514984957,
-2.670661729407956
],
[
7.553772078362906,
0,
-2.670661729407956
]
] | [
62,
27,
27,
27,
27,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003589997> | Im-3 | Co-Sm-Sn | 0.079194 | null | null | 0.000007 | 1,867.780093 | 54.24268 |
[
[
3.5161542435703583,
1.366321480303958,
4.683075251899343
],
[
2.5304278925922703,
0.8903892033986307,
9.03519835119558
],
[
2.9399929163627303,
4.198106069137372,
7.226910073685874
],
[
3.925719267340818,
4.674038346042699,
2.874786974389635
],
[
... | [
[
4.353507655614654,
0,
0.9860399433212598
],
[
2.102639504318435,
5.56442754944133,
0.8202453222639567
],
[
0,
0,
10.10370006
]
] | [
62,
62,
62,
62,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002333778> | C2/m | Co-Sm-Sn | 0.04157 | null | null | 0.000002 | 2,464.059078 | 72.480728 |
[
[
3.0588324960591525e-33,
2.416035574693964e-16,
6.67388866164523
],
[
1.0807824892362871e-16,
-1.76505175204601,
1.0190531041773843
],
[
3.9400951000000006,
-5.779757123013698,
5.3750505391773835
],
[
1.9700475500000003,
-3.0492333751340492,
6.95151916004... | [
[
3.9400951,
0,
2.4126124262755854e-16
],
[
-4.619863019510208e-16,
7.544808875059709,
4.355997435000002
],
[
4.619863019510208e-16,
-7.544808875059709,
4.355997434999998
]
] | [
62,
62,
62,
62,
62,
62,
27,
50,
50
] | [
1,
1,
1
] | alex<agm002264172> | P-62m | Co-Sm-Sn | 0.097193 | null | null | 0.00018 | 2,783.18807 | 36.500496 |
[
[
3.9830012345430696,
3.3384460287215374,
7.172605520766948
],
[
1.1600822338111463,
1.3993571753220608,
2.795505795689353
],
[
2.8082099349968095,
3.3142720037873215,
4.412615086511238
],
[
2.3348735333574067,
1.423531200256277,
5.555496229945064
],
[... | [
[
3.9570008936884973,
0,
1.638834077422036
],
[
1.1860825746657189,
4.7378032040435984,
2.7327273990342653
],
[
0,
0,
5.59654984
]
] | [
62,
62,
27,
27,
50
] | [
1,
1,
1
] | alex<agm002205637> | Immm | Co-Sm-Sn | 0.073438 | null | null | 0.011831 | 2,680.842976 | 77.278664 |
[
[
1.358716563808738,
2.005611185,
4.881091496966116
],
[
2.363828735740554,
2.005611185,
1.2872867550417628
],
[
2.9533642517067054,
0,
3.4051506387785726
],
[
0.7691810478425873,
0,
2.763227613229305
],
[
0,
0,
0
]
] | [
[
3.7225452995492927,
0,
-1.0362198479921219
],
[
-2.45616531804438e-16,
4.01122237,
2.45616531804438e-16
],
[
0,
0,
7.2045981
]
] | [
62,
62,
27,
27,
50
] | [
1,
1,
1
] | alex<agm002263198> | Cmmm | Co-Sm-Sn | 0.062984 | null | null | 0.013936 | 2,680.842976 | 81.746788 |
[
[
2.4548231407584433,
4.765022519808224,
2.148633815700515
],
[
5.561785735421997,
-0.18356646692475623,
-0.3235969578356825
],
[
0,
0,
0
],
[
4.33433806358567,
-3.369991443592008,
2.2970006398806976e-17
],
[
1.3927545743373753,
0.1835664669247... | [
[
1.7141358174119674,
-6.739982887184016,
3.4526839760675836
],
[
6.9545403097593725,
0,
-3.4526839760675836
],
[
-1.7141358174119674,
6.739982887184016,
5.277720833932416
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
27,
27,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm003477559> | I4/mcm | Co-Sm-Sn | 0.07877 | null | null | 0.000103 | 2,872.139887 | 74.741386 |
[
[
-1.3627437678601858e-16,
2.225529465,
7.601997981414512
],
[
2.225529465,
0,
2.3692843785854882
],
[
2.225529465,
0,
6.2507861185749105
],
[
0,
0,
0
],
[
2.225529465,
2.225529465,
2.7254875357203716e-16
],
[
-1.3627437678601858e-1... | [
[
4.45105893,
0,
2.7254875357203716e-16
],
[
-2.7254875357203716e-16,
4.45105893,
2.7254875357203716e-16
],
[
0,
0,
9.97128236
]
] | [
62,
62,
27,
27,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002205610> | P4/nmm | Co-Sm-Sn | 0.069803 | null | null | 0.006508 | 2,302.453406 | 89.438538 |
[
[
3.3824266874999998,
1.5076777492286706,
9.463544443050083
],
[
3.3824266874999993,
5.16697163422867,
7.04734275194992
],
[
1.1274755624999995,
5.810910020771329,
1.5437136869499195
],
[
1.1274755624999997,
2.1516161357713295,
3.959915378050081
],
[
... | [
[
4.50990225,
0,
2.761518677464973e-16
],
[
-4.481342543404733e-16,
7.31858777,
4.481342543404733e-16
],
[
0,
0,
11.00725813
]
] | [
62,
62,
62,
62,
27,
27,
27,
27,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003620083> | Pnma | Co-Sm-Sn | 0.038508 | null | null | 0.000204 | 2,250.006576 | 69.921379 |
[
[
-3.249849436072569e-10,
0.7161634782055465,
5.4692904225
],
[
2.158724577817976,
4.808486559606112,
1.8230968075000007
],
[
2.1587245785171225,
3.2677898359413176,
5.4692904225
],
[
-1.0241315610348226e-9,
2.2568602018703405,
1.8230968075000002
],
[
... | [
[
4.31744916,
0,
2.6436751471377143e-16
],
[
-2.1587245825070087,
5.524650037811658,
3.6319527634866587e-16
],
[
0,
0,
7.29238723
]
] | [
62,
62,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002264171> | Cmcm | Co-Sm-Sn | 0.017335 | null | null | 0.000527 | 2,250.006576 | 76.241249 |
[
[
4.440892098500626e-16,
9.018558916233607,
7.771561172376096e-16
],
[
-1.4232732850271737,
6.515575691453657,
-2.4545406810603423e-8
],
[
0.7116366212566406,
6.515575691453655,
1.2325907845431519
],
[
-1.4171297947851726e-8,
4.502763328846161,
-2.45454073... | [
[
1.4171298147109301,
4.0082484072149365,
2.4545408400000004
],
[
1.4171298147109301,
4.0082484072149365,
-2.4545408399999995
],
[
-2.83425962942186,
4.0082484072149365,
0
]
] | [
70,
28,
28,
28,
28,
50
] | [
1,
1,
1
] | mp-1207519 | F-43m | Ni-Sn-Yb | 0 | 0 | null | null | 2,048.379978 | 126.808174 |
[
[
1.1128429999999996,
6.986546605290001,
1.4060084566320006
],
[
3.3385290000000003,
0.17574839471,
6.225553543368
],
[
1.1128429999999998,
3.40539910529,
2.409772543368
],
[
3.338529,
3.75689589471,
5.221789456632
],
[
3.3385290000000003,
2.10... | [
[
4.451372,
0,
2.725679235807076e-16
],
[
-4.385640823149546e-16,
7.162295,
4.385640823149546e-16
],
[
0,
0,
7.631562
]
] | [
70,
70,
70,
70,
28,
28,
28,
28,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-22162 | Pnma | Ni-Sn-Yb | 0 | 0 | null | 0.000006 | 2,323.913362 | 68.463615 |
[
[
2.6398469999999996,
3.7741935183988637,
0.06319884507105127
],
[
2.639847,
0.9482562802836343,
1.681015495784795
],
[
2.6398469999999996,
3.770841266225134,
3.4159434917952387
],
[
2.639847,
0.9732251704168976,
4.99407114121351
],
[
-2.8635335779... | [
[
5.279694,
0,
3.232880178788743e-16
],
[
-3.473202110400139e-16,
5.672169498696796,
-3.1996554250215348
],
[
0,
0,
6.62747953
]
] | [
3,
20,
12,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | mp-1023253 | Amm2 | Ca-Li-Mg | 0.080285 | 0 | null | 0.000023 | 840.99062 | 31.946112 |
[
[
1.8650958299999998,
2.303998035,
4.157810963851703
],
[
-1.4107919094022708e-16,
2.303998035,
9.683557444783354
],
[
0,
0,
1.89007517818212
],
[
1.86509583,
0,
7.502353272495333
],
[
1.8650958299999998,
2.303998035,
0.8374719436944891
]... | [
[
3.73019166,
0,
2.284083638312576e-16
],
[
-2.8215838188045416e-16,
4.60799607,
2.8215838188045416e-16
],
[
0,
0,
11.57127486
]
] | [
66,
66,
66,
66,
81,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003554468> | Pmm2 | Dy-Tl-Zn | 0.058665 | null | null | 0.000079 | 3,537.298987 | 51.75935 |
[
[
0,
0,
-3.424984255
],
[
0,
0,
0
],
[
-2.2698885700000004,
-1.3105207769199552,
-1.7124921275000002
],
[
-2.26988857,
1.310520776919955,
-5.1374763825
],
[
-2.26988857,
1.310520776919955,
-1.7124921275
],
[
-2.2698885700000004,
... | [
[
-2.2698885700000004,
-3.9315623307598644,
-5.559623543343326e-16
],
[
-2.2698885699999996,
3.9315623307598644,
2.779811771671663e-16
],
[
0,
0,
-6.84996851
]
] | [
70,
70,
28,
28,
50,
50
] | [
1,
1,
1
] | alex<agm002227471> | P6_3/mmc | Ni-Sn-Yb | 0.073654 | null | null | 0.000014 | 2,323.913362 | 59.125927 |
[
[
-2.2479481170129004e-16,
3.6711778752502515,
5.06147005548127
],
[
2.247948117012901e-16,
-3.671177875250251,
5.061470055481268
],
[
1.0332085601528025e-32,
1.481903509533799e-16,
4.2391110690374605
],
[
2.05240817,
-2.0729835287220464,
3.590512794999999... | [
[
4.10481634,
0,
2.513475095934377e-16
],
[
-3.808008964701958e-16,
6.218950586166137,
3.5905127950000013
],
[
3.808008964701958e-16,
-6.218950586166137,
3.5905127949999986
]
] | [
70,
70,
70,
28,
28,
28,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002227470> | P-62m | Ni-Sn-Yb | 0.035299 | null | null | 0 | 2,323.913362 | 70.124947 |
[
[
-1.4767579114471097,
-0.9226111452961491,
-3.8911017071705647
],
[
1.8031731190479177,
-4.09700322771202,
-1.4340403379334528
],
[
1.3243457637460214,
-1.8559684818266091,
-2.6957000350120324
],
[
-0.9979305561452133,
-3.16364589118156,
-2.62944201009198... | [
[
4.103753823658979,
0,
-1.5574640259012202
],
[
0.3264152076008074,
-5.019614373008169,
0.8600697248959831
],
[
-4.103753823658979,
0,
-4.62774774409878
]
] | [
70,
70,
28,
28,
50,
50
] | [
1,
1,
1
] | alex<agm002295950> | C2/m | Ni-Sn-Yb | 0.002441 | null | null | -0.000026 | 2,323.913362 | 62.03455 |
[
[
-1.3545051769553458e-16,
2.212074825,
1.9964926198330464
],
[
2.212074825,
0,
4.619318720166953
],
[
0,
0,
0
],
[
2.212074825,
2.212074825,
2.7090103539106915e-16
],
[
-1.3545051769553458e-16,
2.212074825,
5.278781802166453
],
[
2... | [
[
4.42414965,
0,
2.7090103539106915e-16
],
[
-2.7090103539106915e-16,
4.42414965,
2.7090103539106915e-16
],
[
0,
0,
6.61581134
]
] | [
70,
70,
28,
28,
50,
50
] | [
1,
1,
1
] | alex<agm002295948> | P4/nmm | Ni-Sn-Yb | 0.044902 | null | null | -0.000037 | 2,323.913362 | 64.343376 |
[
[
2.220446049250313e-16,
5.517039085309701,
4.440892098500626e-16
],
[
-6.669744381191512e-17,
2.758519542654851,
-2.801334442192877e-17
],
[
3.3306690738754696e-16,
8.275558627964552,
6.661338147750939e-16
],
[
0,
0,
0
]
] | [
[
1.3003785830979058,
3.6780260568731338,
2.2523217750000004
],
[
1.3003785830979058,
3.6780260568731338,
-2.2523217749999995
],
[
-2.600757166195811,
3.6780260568731338,
0
]
] | [
70,
28,
28,
50
] | [
1,
1,
1
] | mp-570899 | Fm-3m | Ni-Sn-Yb | 0.074905 | 0 | null | -0.000001 | 2,205.717501 | 110.767807 |
[
[
-7.801328285294641e-17,
1.274053595,
5.004505652590132
],
[
-2.3403984855883926e-16,
3.8221607850000003,
1.8641495074098688
],
[
-2.3403984855883926e-16,
3.8221607850000003,
6.088522236178909
],
[
-7.801328285294641e-17,
1.274053595,
0.7801329238210921
... | [
[
4.02975287,
0,
2.46751197680018e-16
],
[
-3.1205313141178565e-16,
5.09621438,
3.1205313141178565e-16
],
[
0,
0,
6.86865516
]
] | [
70,
70,
28,
28,
28,
28,
50,
50
] | [
1,
1,
1
] | alex<agm002226305> | Pmma | Ni-Sn-Yb | 0 | null | null | -0 | 2,205.717501 | 83.368576 |
[
[
-2.185262755,
-1.2616620398493137,
-2.2028372425000002
],
[
-2.185262755,
1.2616620398493135,
-6.608511727499999
],
[
-2.185262755,
-1.2616620398493137,
-4.886751581708636
],
[
-2.185262755,
1.2616620398493135,
-3.924597388291364
],
[
-2.18526275... | [
[
-2.1852627550000006,
-3.78498611954794,
-5.352350076413354e-16
],
[
-2.1852627549999997,
3.78498611954794,
2.676175038206677e-16
],
[
0,
0,
-8.81134897
]
] | [
70,
70,
28,
28,
28,
28,
50,
50
] | [
1,
1,
1
] | alex<agm002295120> | P6_3/mmc | Ni-Sn-Yb | 0.044094 | null | null | 0.000001 | 2,205.717501 | 103.105606 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.