pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
1.4176516315076165e-16,
-2.3152008113598805,
4.010045435
],
[
-1.4176516315076163e-16,
2.3152008113598805,
4.010045435
],
[
2.1542813850000004,
-5.029453524103112,
2.903756346017643
],
[
2.1542813849999995,
-1.9161489099765276,
6.913801781017644
],
[... | [
[
4.30856277,
0,
2.6382338026029767e-16
],
[
-4.2529548945228485e-16,
6.945602434079641,
4.010045435000002
],
[
4.2529548945228485e-16,
-6.945602434079641,
4.0100454349999985
]
] | [
59,
59,
30,
30,
30,
30,
30,
30,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002326016> | P-62m | Pr-Sn-Zn | 0.075397 | null | null | 0.000029 | 2,124.514283 | 58.434673 |
[
[
2.6302860548559064,
4.840943295179045,
2.6487135512696782
],
[
5.853189376354091,
-0.08447263564347636,
0.18104921485369496
],
[
0,
0,
0
],
[
4.3602850999549,
-3.5141934390793783,
-2.0563468827009735e-16
],
[
1.3393773850445243,
0.08447263564... | [
[
1.5280034385111805,
-7.028386878158757,
3.315157121938313
],
[
7.192566761398616,
0,
-3.315157121938313
],
[
-1.5280034385111805,
7.028386878158757,
6.144919888061686
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
30,
30,
30,
30,
50,
50
] | [
1,
1,
1
] | alex<agm003477515> | I4/mcm | Pr-Sn-Zn | 0.033851 | null | null | 0.003265 | 2,748.822501 | 60.710213 |
[
[
-1.4645026834024422,
-4.012700201313128,
-5.087613852406638
],
[
2.4851311190291385,
-7.18632030299593,
-0.5854456574961074
],
[
1.5413092840943061,
-5.574192832404382,
-3.8642386437602934
],
[
0.4517280550940464,
-1.8576917909483703,
-7.649392958727624
... | [
[
4.901191514625836,
0,
-1.4108397787381655
],
[
0.9498321690471416,
-7.484658802878674,
3.299672604508033
],
[
-4.901191514625836,
0,
-7.807835351261834
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
30,
30,
50
] | [
1,
1,
1
] | alex<agm003528740> | C2/m | Pr-Sn-Zn | 0.052596 | null | null | 0 | 2,856.646406 | 47.806923 |
[
[
1.84368573816257,
-1.3921267918650417,
-4.45165475
],
[
-3.1889790178839776,
-4.223376181630408,
-6.344899165735634
],
[
-1.8436857381625702,
1.3921267918650426,
-4.45165475
],
[
-1.0156789984217607,
-1.3451309858297602,
-8.088464488074601
],
[
-... | [
[
-1.58504246817227,
5.568507167460168,
-1.6866276730948824
],
[
5.78970048447801,
0,
-1.6866276730948824
],
[
-4.204658016305739,
-5.568507167460168,
-5.5300541538102355
]
] | [
59,
59,
59,
59,
30,
30,
30,
30,
30,
30,
50,
50
] | [
1,
1,
1
] | alex<agm003412405> | Fmmm | Pr-Sn-Zn | 0.010772 | null | null | 0.000592 | 2,407.020015 | 53.198376 |
[
[
2.218899615,
2.31594862,
7.582592779988146
],
[
2.218899615,
0,
1.5789613821686772
],
[
0,
0,
10.167247617280445
],
[
-1.4181095322363649e-16,
2.31594862,
4.256299362260993
],
[
2.218899615,
2.31594862,
10.870654120194672
],
[
2.2... | [
[
4.43779923,
0,
2.7173683111390447e-16
],
[
-2.8362190644727297e-16,
4.63189724,
2.8362190644727297e-16
],
[
0,
0,
11.77447622
]
] | [
59,
59,
59,
59,
30,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003553693> | Pmm2 | Pr-Sn-Zn | 0.038942 | null | null | 0.002123 | 2,478.091041 | 54.619843 |
[
[
2.2527214600000005,
-4.305098872435772,
6.055391807111253
],
[
2.25272146,
-4.047708625262666e-16,
4.971099985777495
],
[
2.252721459999999,
4.305098872435772,
6.0553918071112545
],
[
4.505442920000001,
-1.834226790200863,
7.481950468922709
],
[
... | [
[
4.50544292,
0,
2.758788125359552e-16
],
[
-4.529155694235269e-16,
7.396672571044391,
4.270470900000002
],
[
4.529155694235269e-16,
-7.396672571044391,
4.2704708999999985
]
] | [
59,
59,
59,
59,
59,
59,
30,
50,
50
] | [
1,
1,
1
] | alex<agm003488803> | P-62m | Pr-Sn-Zn | 0.041651 | null | null | 0.010332 | 2,721.501088 | 57.451916 |
[
[
-1.8282781692311896,
-3.5150970077396386,
-6.896842849241642
],
[
2.2570604957294864,
-6.662214926189213,
-1.8039866300142435
],
[
1.429204958568982,
-4.593906812905375,
-4.926919357825365
],
[
0.17864753108652776,
-1.4782602062825259,
-9.644417157105487... | [
[
5.111368222091577,
0,
-1.3549682282325488
],
[
0.48971223739458775,
-6.699102529401985,
1.8473492706564512
],
[
-5.111368222091577,
0,
-8.963363751767451
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
30,
50,
50
] | [
1,
1,
1
] | alex<agm003528741> | C2/m | Pr-Sn-Zn | 0.061832 | null | null | 0.000351 | 2,796.08854 | 47.865501 |
[
[
-0.23362401112073009,
3.3558956281088554,
-1.1911277613348425
],
[
-2.7865077408642995,
-1.4548104425899762,
-2.736505455238874
],
[
-1.5107152005352287,
0.9427228120175515,
-7.702353902625965
],
[
-2.1906712315837154,
0.3481242537091177,
0.3013561220219... | [
[
-4.332872431001522,
0,
0.8498358193504004
],
[
-0.5012723867655593,
7.20053475312052,
-2.555728124873606
],
[
0.5012723867655593,
-7.20053475312052,
-8.914725325126394
]
] | [
39,
39,
39,
39,
39,
39,
32,
32,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-1190225 | Imm2 | Ge-Pd-Y | 0 | 0 | null | 0.000016 | 4,554.80133 | 94.192856 |
[
[
1.82686061,
8.646047274006659e-17,
3.2720196313767893
],
[
1.8268606099999998,
3.8989162548952945,
2.251040349311607
],
[
1.8268606099999998,
2.833652122453695,
6.138090514311605
],
[
2.2888793607302021e-32,
2.4209846178114795e-16,
5.9894401538586
],
... | [
[
3.65372122,
0,
2.2372589985248813e-16
],
[
-4.122509156680564e-16,
6.732568377348988,
3.887050165000001
],
[
4.122509156680564e-16,
-6.732568377348988,
3.8870501649999984
]
] | [
65,
65,
65,
49,
49,
49,
78,
78
] | [
1,
1,
1
] | alex<agm002281359> | P-62m | In-Pt-Tb | 0.00487 | null | null | -0 | 4,719.705926 | 73.906982 |
[
[
3.470400805374633,
3.6321272229126227,
3.059391248919231
],
[
2.3941247870003286,
1.5899577752076979,
5.64085085307922
],
[
3.5881242689849455,
0.5431803931644832,
2.777030256268488
],
[
2.276401323390016,
4.678904604955837,
5.923211845729963
],
[
... | [
[
4.043133770984923,
0,
1.6856850729650634
],
[
1.8213918213900384,
5.22208499812032,
1.3229645790333873
],
[
0,
0,
5.69159245
]
] | [
39,
39,
32,
32,
46,
46
] | [
1,
1,
1
] | mp-1215971 | C2/m | Ge-Pd-Y | 0.07651 | 0 | null | -0 | 4,554.80133 | 89.596321 |
[
[
3.3114742799999997,
3.5345147148175373,
5.405655024934781
],
[
1.1038247599999997,
3.5167279551824624,
2.23405397506522
],
[
3.3114742799999997,
0.0088933798175375,
6.05390847506522
],
[
1.1038247599999995,
7.042349290182463,
1.5858005249347806
],
[
... | [
[
4.41529904,
0,
2.7035909183071905e-16
],
[
-4.317640882913368e-16,
7.05124267,
4.317640882913368e-16
],
[
0,
0,
7.639709
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002215350> | Pnma | Ge-Pd-Y | 0.041714 | null | null | -0 | 4,554.80133 | 96.132652 |
[
[
0,
0,
0
],
[
0,
0,
-3.5634119
],
[
-2.21564301,
-1.2792020882516133,
-1.7817059500000003
],
[
-2.21564301,
1.2792020882516133,
-5.34511785
],
[
-2.21564301,
1.2792020882516133,
-1.78170595
],
[
-2.21564301,
-1.2792020882516133... | [
[
-2.2156430100000004,
-3.837606264754838,
-5.426760240499414e-16
],
[
-2.2156430099999995,
3.837606264754838,
2.713380120249707e-16
],
[
0,
0,
-7.1268238
]
] | [
39,
39,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002152870> | P6_3/mmc | Ge-Pd-Y | 0.095917 | null | null | -0.000061 | 4,554.80133 | 95.677895 |
[
[
1.7433144800000002,
-1.287343085004354,
2.22974363
],
[
3.48662896,
1.2873430850043537,
2.2297436300000006
],
[
0,
0,
0
]
] | [
[
3.48662896,
0,
2.1349444978392324e-16
],
[
-2.364810882682591e-16,
3.8620292550130606,
2.229743630000001
],
[
2.364810882682591e-16,
-3.8620292550130606,
2.2297436299999993
]
] | [
39,
32,
46
] | [
1,
1,
1
] | alex<agm001258282> | P-6m2 | Ge-Pd-Y | 0.066312 | null | null | -0 | 4,554.80133 | 93.082062 |
[
[
-3.567772377197972,
1.5762870439676624,
-5.715873624562159
],
[
-0.6650204741028471,
-1.576287043967661,
-2.845638156233564
],
[
-0.22762894030305536,
1.8544297448278138,
-0.9740295576394522
],
[
-0.7263421102017615,
5.9173074051387164,
-3.10803487180857... | [
[
-4.23279285130082,
0,
0.9891960092042781
],
[
-0.9539710505048168,
7.771737149966531,
-4.0820644294480255
],
[
0.9539710505048168,
-7.771737149966531,
-5.468643360551975
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
32,
32,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-1207628 | Immm | Ge-Pd-Y | 0 | 0 | null | 0.000004 | 3,988.61972 | 89.791138 |
[
[
3.570484998244239,
1.04901349,
6.8295193244625345
],
[
0.39861787473604143,
3.1470404700000003,
1.821455072311768
],
[
1.839450600991905,
3.1470404700000003,
8.43013396962745
],
[
2.1296522719883755,
1.04901349,
0.22084042714685292
],
[
2.9756783... | [
[
3.9691028729802804,
0,
-0.8555587832256976
],
[
-2.5693420255817884e-16,
4.19605396,
2.5693420255817884e-16
],
[
0,
0,
9.50653318
]
] | [
39,
39,
32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002214364> | Cmcm | Ge-Pd-Y | 0.099263 | null | null | -0.000058 | 3,988.61972 | 91.753654 |
[
[
2.044036565,
2.077594405,
6.958711236821366
],
[
2.044036565,
0,
1.4916640423965775
],
[
0,
0,
9.391834805621988
],
[
-1.27215966900485e-16,
2.077594405,
3.9153489105993518
],
[
2.044036565,
0,
4.503239294469817
],
[
0,
0,
... | [
[
4.08807313,
0,
2.5032228366674005e-16
],
[
-2.5443193380097e-16,
4.15518881,
2.5443193380097e-16
],
[
0,
0,
10.87295165
]
] | [
39,
39,
39,
39,
32,
32,
32,
46
] | [
1,
1,
1
] | alex<agm003552845> | Pmm2 | Ge-Pd-Y | 0.071507 | null | null | -0.000003 | 3,220.804002 | 78.962433 |
[
[
2.179298864804745,
4.357556542762589,
5.615520245351705
],
[
-4.15970371283848e-11,
0.9283330998746511,
12.805979050351704
],
[
2.179298864804745,
4.357556542762589,
1.5749385596482952
],
[
-4.15970371283848e-11,
0.9283330998746511,
8.765397364648294
]... | [
[
4.35859773,
0,
2.6688713794077096e-16
],
[
-2.1792988652368517,
5.28588964263724,
3.5009679586144276e-16
],
[
0,
0,
14.38091761
]
] | [
39,
39,
39,
39,
39,
39,
32,
32,
32,
32,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003329926> | Cmcm | Ge-Pd-Y | 0.044718 | null | null | -0.000002 | 4,029.138472 | 89.916061 |
[
[
0,
0,
0
],
[
2.7037423296241045,
-1.4994177870021232,
1.0525499277216912
],
[
1.2889817315423606,
1.4994177870021232,
3.327227038905414
],
[
2.844734028075412,
0.9868751681314969,
1.416489446627105
],
[
1.1479900330910526,
-0.9868751681314969... | [
[
0.5992360711977455,
-3.947500672525987,
1.546798073372895
],
[
3.992724061166465,
0,
-1.546798073372895
],
[
-0.5992360711977455,
3.947500672525987,
4.379776966627105
]
] | [
39,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002152187> | I4/mmm | Ge-Pd-Y | 0.017315 | null | null | -0.000002 | 4,943.578117 | 99.040047 |
[
[
2.105169035,
0,
2.5894188210813813
],
[
-1.2890442601884362e-16,
2.105169035,
7.983619958918617
],
[
2.105169035,
2.105169035,
5.28651939
],
[
0,
0,
5.28651939
],
[
-1.2890442601884362e-16,
2.105169035,
1.405634332293305
],
[
2.10... | [
[
4.21033807,
0,
2.5780885203768723e-16
],
[
-2.5780885203768723e-16,
4.21033807,
2.5780885203768723e-16
],
[
0,
0,
10.57303878
]
] | [
39,
39,
32,
32,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002214366> | P4/nmm | Ge-Pd-Y | 0.043768 | null | null | 0.000382 | 4,943.578117 | 105.858192 |
[
[
1.9933689561956622,
4.608426799839512,
1.8170835525000004
],
[
-2.038211477976356e-8,
0.5528412244570933,
5.4512506575
],
[
-1.9307817347072027e-9,
2.3803642193116152,
1.8170835525000002
],
[
1.9933689377443289,
2.78090380498499,
5.4512506575
],
[
... | [
[
3.98673788,
0,
2.4411728918907525e-16
],
[
-1.9933689441864528,
5.161268024296605,
3.387881250370289e-16
],
[
0,
0,
7.26833421
]
] | [
39,
39,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002278230> | Cmcm | Ge-Pd-Y | 0.054133 | null | null | -0.000001 | 5,534.106618 | 113.54847 |
[
[
0,
0,
-3.18755825
],
[
0,
0,
-9.56267475
],
[
-2.19443848,
1.2669596471480733,
-4.94805750917305
],
[
-2.1944384800000005,
-1.2669596471480735,
-7.802175490826952
],
[
-2.1944384800000005,
-1.2669596471480735,
-11.32317400917305
],
[
... | [
[
-2.1944384800000005,
-3.80087894144422,
-5.374824120915566e-16
],
[
-2.1944384799999996,
3.80087894144422,
2.687412060457783e-16
],
[
0,
0,
-12.750233
]
] | [
39,
39,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002278485> | P6_3/mmc | Ge-Pd-Y | 0.064101 | null | null | 0 | 5,531.28587 | 124.597206 |
[
[
1.944285705,
0,
1.1905316326281026e-16
],
[
-2.4303172460842193e-16,
3.969009265,
3.9690092650000004
],
[
-3.778647144092e-16,
6.170999094143458,
1.7670194358565428
],
[
-1.0819873480764382e-16,
1.7670194358565425,
6.170999094143458
],
[
1.944285... | [
[
3.88857141,
0,
2.381063265256205e-16
],
[
-4.860634492168439e-16,
7.93801853,
4.860634492168439e-16
],
[
0,
0,
7.93801853
]
] | [
39,
39,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003455995> | P4_2/mnm | Ge-Pd-Y | 0.052771 | null | null | 0.000002 | 5,929.428247 | 123.219963 |
[
[
4.221687349284617,
6.695221855673659,
6.117218894286416
],
[
5.972335623008722,
3.137817721979401,
10.097665998659185
],
[
3.9632533996365016,
1.100723113035781,
6.778621416550785
],
[
2.2126051259123973,
4.658127246730039,
2.7981743121780167
],
[
... | [
[
5.736142095389569,
0,
2.2413187231227947
],
[
2.44879865353155,
7.795944968709439,
2.193691057714404
],
[
0,
0,
8.46083053
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003345589> | Ibam | Ge-Pd-Y | 0.067814 | null | null | 0.000001 | 4,308.488144 | 87.973625 |
[
[
1.617373329920381,
-1.3614406923034341,
-4.206365615
],
[
1.1253808320514578,
1.336937373808101,
-0.9645559118591757
],
[
-1.6173733299203814,
1.3614406923034332,
-4.206365615
],
[
-1.1253808320514582,
-1.3369373738081016,
-7.448175318140825
],
[
... | [
[
-0.9427331532857902,
5.445762769213735,
-1.9644684846627911
],
[
5.526760166395735,
0,
-1.9644684846627911
],
[
-4.584027013109945,
-5.445762769213735,
-4.4837942606744186
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm003411472> | Fmmm | Ge-Pd-Y | 0.065711 | null | null | -0 | 3,440.630431 | 80.703537 |
[
[
4.842773883187336,
4.438406200214023,
4.482648391434608
],
[
0.5871387316002833,
3.087233059785977,
1.5252928068973963
],
[
3.3020950389940924,
0.6755865702140232,
0.4802107860633974
],
[
2.1278175757935256,
6.8500526897859775,
5.527730412268607
],
[... | [
[
5.429912614787619,
0,
-2.0901640416679976
],
[
-4.608125015648328e-16,
7.52563926,
4.608125015648328e-16
],
[
0,
0,
8.09810524
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003333845> | Cmce | Ge-Pd-Y | 0.069585 | null | null | -0.000057 | 4,530.613001 | 111.170425 |
[
[
-0.8288339909831823,
-1.3922788852249983,
-6.924795990661664
],
[
-5.913355545426035,
-4.787505995475549,
-7.674078024344421
],
[
-6.68813597088106,
-3.6272337529227454,
-3.878738564344421
],
[
-1.603614416438206,
-0.23200664267219456,
-3.129456530661663... | [
[
-2.0825765196539057,
-5.019512638147743,
-1.606427817503043
],
[
-5.434393442210335,
0,
-1.606427817503043
],
[
0,
0,
-7.59067892
]
] | [
39,
39,
39,
39,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002339792> | C2/c | Ge-Pd-Y | 0.084833 | null | null | -0 | 4,971.050463 | 84.177986 |
[
[
1.084481145,
1.210413833223534,
2.9716407238757454
],
[
3.253443435,
4.294804390075526,
2.798400208598258
],
[
3.253443435,
4.281959449760378,
-0.9270056856412958
],
[
1.084481145,
1.223258773538682,
6.697046618115299
],
[
3.2534434350000003,
... | [
[
4.33792458,
0,
2.656212725919813e-16
],
[
-3.370973937885436e-16,
5.505218223299059,
-2.012638707525997
],
[
0,
0,
7.78267964
]
] | [
39,
39,
39,
39,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm003628634> | P2_1/m | Ge-Pd-Y | 0.033784 | null | null | 0 | 4,067.81042 | 83.947731 |
[
[
2.145673543864148,
1.3202418997744059,
5.357841931136618
],
[
0,
0,
0
],
[
2.2390448762482662e-8,
3.8416646724253276,
1.2892130852258579
],
[
2.145673565521493,
2.145629573430632,
-0.15960308034371087
],
[
7.331031261183074e-10,
3.01627699876... | [
[
4.29134713,
0,
2.6276922633923404e-16
],
[
-2.1456735637454036,
5.161906572199734,
-1.6774432236375243
],
[
0,
0,
8.32449824
]
] | [
39,
39,
39,
32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm003337559> | C2/m | Ge-Pd-Y | 0.051912 | null | null | -0.000162 | 3,828.311184 | 90.287239 |
[
[
5.578316061652806,
3.6445057363887483,
4.634366121332536
],
[
2.278537827035438,
3.9257845702367353,
9.185194729800083
],
[
0.667902588619101,
1.66837396756332,
6.587452492348361
],
[
3.9676808232364675,
1.3870951337153323,
2.0366238838808144
],
[
... | [
[
4.2136539371692585,
0,
0.9956485277021917
],
[
2.0325647131026474,
5.312879703952068,
0.8121073059787047
],
[
0,
0,
9.41406278
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002214351> | C2/m | Ge-Pd-Y | 0.055984 | null | null | 0.002417 | 3,701.185369 | 90.330666 |
[
[
2.2016703599999996,
4.628743063090242,
1.1863158430902423
],
[
2.2016703599999996,
5.698538596909757,
4.628743063090242
],
[
2.20167036,
2.256111376909758,
5.698538596909758
],
[
2.20167036,
1.1863158430902419,
2.2561113769097583
],
[
-3.64272756... | [
[
4.40334072,
0,
2.696268559151601e-16
],
[
-4.2157574762707215e-16,
6.88485444,
4.2157574762707215e-16
],
[
0,
0,
6.88485444
]
] | [
39,
39,
39,
39,
32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002980795> | P4/mbm | Ge-Pd-Y | 0.095108 | null | null | -0.000078 | 3,701.185369 | 86.683022 |
[
[
1.2801146535328918,
1.3074888928005581,
8.801080999060838
],
[
2.731266754115336,
-1.307488892800558,
4.696773931062825
],
[
1.9632590775620502,
2.0052418199556947,
13.497854930123664
],
[
0.5152353564044915,
0.5262532569389886,
3.5423609912488305
],
... | [
[
0.08486325252412805,
-4.0104836399113895,
0.5834542598763378
],
[
4.011381407648228,
0,
-0.5834542598763378
],
[
-0.08486325252412805,
4.0104836399113895,
13.497854930123664
]
] | [
39,
39,
39,
32,
32,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003351723> | I4/mmm | Ge-Pd-Y | 0.095956 | null | null | 0.0004 | 5,989.102549 | 112.807655 |
[
[
0,
0,
0
],
[
3.740623957046937,
4.389984920382315,
7.497692877307995
],
[
1.244294857488645,
1.4695792898936277,
2.5074148164650913
],
[
0.6416658537243237,
2.9297821051379715,
4.41912876128217
],
[
3.095096298435711,
3.2477880378805524,
... | [
[
3.701587107086935,
0,
1.1668501712087456
],
[
1.2833317074486474,
5.859564210275943,
2.3835786025643397
],
[
0,
0,
6.45467892
]
] | [
39,
32,
32,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003474983> | Immm | Ge-Pd-Y | 0.082085 | null | null | 0.000075 | 6,216.984445 | 129.796463 |
[
[
-2.742529423132095e-16,
4.478890444235106,
5.7991001175
],
[
-1.5384413953086202e-16,
2.512465465764893,
1.9330333725000002
],
[
-9.367872065996098e-17,
1.529889609398951,
5.7991001175
],
[
-3.3441836118411056e-16,
5.4614663006010495,
1.9330333725000004
... | [
[
3.94045388,
0,
2.4128321156648844e-16
],
[
-4.2809708184407155e-16,
6.99135591,
4.2809708184407155e-16
],
[
0,
0,
7.73213349
]
] | [
39,
39,
32,
32,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003743658> | Pmma | Ge-Pd-Y | 0.087518 | null | null | 0.000019 | 6,427.869635 | 123.253792 |
[
[
1.9164399149999995,
6.347846090150542,
5.1524939948494595
],
[
1.9164399149999998,
2.5143993951505417,
6.347846090150542
],
[
1.9164399149999998,
5.152493994849459,
1.319047299849459
],
[
1.916439915,
1.3190472998494585,
2.5143993951505417
],
[
0... | [
[
3.83287983,
0,
2.3469620076629755e-16
],
[
-4.69461822473375e-16,
7.66689339,
4.69461822473375e-16
],
[
0,
0,
7.66689339
]
] | [
65,
65,
65,
65,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-1205561 | P4/mbm | Cd-Pd-Tb | 0 | 0 | null | null | 4,407.065741 | 83.729614 |
[
[
4.373261670204897,
3.370155246613116,
7.1615790511513815
],
[
1.2897284321608253,
1.4128723424969571,
2.7518171466785826
],
[
0,
0,
0
],
[
2.5036500895183464,
1.3051280933044556,
5.668139003098423
],
[
3.1593400128473754,
3.4778994958056177,
... | [
[
4.219587915843002,
0,
1.9444631737858344
],
[
1.44340218652272,
4.783027589110073,
2.418336974044129
],
[
0,
0,
5.55059605
]
] | [
65,
65,
48,
46,
46
] | [
1,
1,
1
] | alex<agm002350769> | Immm | Cd-Pd-Tb | 0.052316 | null | null | 0.000038 | 4,407.065741 | 77.177383 |
[
[
2.9115547632032724e-33,
-1.0872437730947182e-16,
3.11851488738363
],
[
-1.653709835577035e-16,
2.700713114554192,
6.106350326308186
],
[
-2.4112670597425913e-16,
3.93789794971319,
2.273546441308186
],
[
1.9610879999999997,
4.133406230323702e-16,
5.691453... | [
[
3.922176,
0,
2.4016401420462844e-16
],
[
-4.064976895319626e-16,
6.638611064267381,
3.8328038850000015
],
[
4.064976895319626e-16,
-6.638611064267381,
3.832803884999999
]
] | [
65,
65,
65,
48,
48,
48,
46,
46,
46
] | [
1,
1,
1
] | mp-1208303 | P-62m | Cd-Pd-Tb | 0.009682 | 0 | null | 0.000003 | 3,944.772563 | 86.950035 |
[
[
-2.54534325,
1.4695546105674957,
-4.402920007500001
],
[
-2.5453432500000006,
-1.4695546105674975,
-1.4676400024999996
],
[
0,
0,
0
],
[
0,
0,
-2.935280005
],
[
-2.5453432500000006,
-1.4695546105674975,
-4.402920007500001
],
[
-2.... | [
[
-2.5453432500000006,
-4.4086638317024915,
-6.234292927687643e-16
],
[
-2.5453432499999997,
4.4086638317024915,
3.1171464638438215e-16
],
[
0,
0,
-5.87056001
]
] | [
65,
65,
48,
48,
46,
46
] | [
1,
1,
1
] | alex<agm003609973> | P6_3/mmc | Cd-Pd-Tb | 0.050469 | null | null | -0 | 3,944.772563 | 69.214844 |
[
[
0,
0,
6.002123362672516
],
[
0,
0,
1.6737378973274837
],
[
1.78768656,
1.78768656,
3.83793063
],
[
1.78768656,
1.78768656,
2.1892846235827428e-16
]
] | [
[
3.57537312,
0,
2.1892846235827428e-16
],
[
-2.1892846235827428e-16,
3.57537312,
2.1892846235827428e-16
],
[
0,
0,
7.67586126
]
] | [
65,
65,
49,
78
] | [
1,
1,
1
] | alex<agm001119463> | P4/mmm | In-Pt-Tb | 0.050746 | null | null | 0.00004 | 4,763.400572 | 80.261169 |
[
[
1.019116935,
0.3926372165805714,
2.812504989170507
],
[
3.057350805,
3.2922350534194287,
7.248939224170508
],
[
3.0573508049999996,
6.977107323419428,
6.060363480829493
],
[
1.0191169349999998,
4.077509486580571,
1.6239292458294932
],
[
3.0573508... | [
[
4.07646774,
0,
2.4961165848092223e-16
],
[
-4.512667030722341e-16,
7.36974454,
4.512667030722341e-16
],
[
0,
0,
8.87286847
]
] | [
65,
65,
65,
65,
48,
48,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002307879> | Pnma | Cd-Pd-Tb | 0 | null | null | 0.000035 | 3,944.772563 | 77.567055 |
[
[
3.295365295490622,
-0.20777500687072709,
3.6840825395762122
],
[
2.3438528804141887,
-1.2925404517476047,
1.0483135997293749
],
[
0.8623514546279131,
0.9831180807499265,
2.388785728991876
]
] | [
[
0.4532063586896785,
-3.4479595327258203,
1.2554195310774452
],
[
3.4776171357513777,
0,
-1.2554195310774452
],
[
-0.4532063586896785,
3.4479595327258203,
4.188935438922555
]
] | [
65,
48,
46
] | [
1,
1,
1
] | alex<agm001832193> | I4mm | Cd-Pd-Tb | 0.087829 | null | null | 0.000024 | 3,944.772563 | 69.383781 |
[
[
0,
0,
0
],
[
6.661338147750939e-16,
5.898182065291815,
6.208452923983643e-16
],
[
-4.8197990821579445e-16,
2.949091032645909,
-3.126216496784905e-16
],
[
5.551115123125783e-16,
8.847273097937721,
8.881784197001252e-16
]
] | [
[
1.3902148450135727,
3.9321213768612093,
2.4079227450000005
],
[
1.3902148450135727,
3.9321213768612093,
-2.4079227449999996
],
[
-2.780429690027145,
3.9321213768612093,
0
]
] | [
65,
48,
46,
46
] | [
1,
1,
1
] | mp-977397 | Fm-3m | Cd-Pd-Tb | 0 | 0 | null | -0.000029 | 4,836.095123 | 91.329788 |
[
[
1.75288348,
1.75288348,
2.1466631430602735e-16
],
[
1.75288348,
1.75288348,
3.24086353
],
[
0,
0,
4.783800932981511
],
[
0,
0,
1.697926127018489
]
] | [
[
3.50576696,
0,
2.1466631430602735e-16
],
[
-2.1466631430602735e-16,
3.50576696,
2.1466631430602735e-16
],
[
0,
0,
6.48172706
]
] | [
65,
48,
46,
46
] | [
1,
1,
1
] | alex<agm001125760> | P4/mmm | Cd-Pd-Tb | 0.055383 | null | null | -0.000438 | 4,836.095123 | 92.910118 |
[
[
1.7424091049999997,
2.369054155,
2.3690541550000006
],
[
1.742409105,
0,
1.0669178666217271e-16
],
[
-1.450627293963744e-16,
2.369054155,
1.450627293963744e-16
],
[
0,
0,
2.369054155
]
] | [
[
3.48481821,
0,
2.1338357332434542e-16
],
[
-2.901254587927488e-16,
4.73810831,
2.901254587927488e-16
],
[
0,
0,
4.73810831
]
] | [
65,
48,
46,
46
] | [
1,
1,
1
] | alex<agm001218737> | P4/mmm | Cd-Pd-Tb | 0.06804 | null | null | 0.000064 | 4,836.095123 | 91.154091 |
[
[
-2.1941391132718662e-16,
3.583301103305069,
3.11682425
],
[
2.493580655,
1.4723676766949314,
2.4284429649969916e-16
],
[
2.493580655,
1.3836212758378161,
3.1168242500000005
],
[
-2.2484806111446236e-16,
3.6720475041621845,
2.2484806111446236e-16
],
[... | [
[
4.98716131,
0,
3.0537555675615106e-16
],
[
-3.0957042944881025e-16,
5.05566878,
3.0957042944881025e-16
],
[
0,
0,
6.2336485
]
] | [
65,
65,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003612407> | Pmmn | Cd-Pd-Tb | 0.010839 | null | null | 0 | 4,836.095123 | 95.380119 |
[
[
5.294277098968935,
0,
-1.8675456434913607
],
[
2.4690802601933566,
0,
2.082085884847858
],
[
3.7840253628543055,
2.2821747224807054,
0.06238015083312178
],
[
1.0794681151769392,
2.411764238279129,
-1.8573047166346774
],
[
3.8177124901569424,
... | [
[
5.409114603370903,
0,
-1.908054343177118
],
[
-2.7045573046940112,
4.6939389607598345,
-1.9196848475354147
],
[
0,
0,
5.74742404
]
] | [
65,
48,
48,
48,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003541581> | R3m | Cd-Pd-Tb | 0.078346 | null | null | 0 | 4,274.065558 | 88.049911 |
[
[
0,
0,
5.778899644300361
],
[
0,
0,
1.7086147756996397
],
[
1.79739605,
1.79739605,
3.74375721
],
[
1.79739605,
1.79739605,
2.2011753194325958e-16
]
] | [
[
3.5947921,
0,
2.2011753194325958e-16
],
[
-2.2011753194325958e-16,
3.5947921,
2.2011753194325958e-16
],
[
0,
0,
7.48751442
]
] | [
65,
65,
48,
46
] | [
1,
1,
1
] | alex<agm001125761> | P4/mmm | Cd-Pd-Tb | 0.019638 | null | null | 0.000001 | 3,694.61353 | 66.405449 |
[
[
5.551115123125783e-16,
9.45395362369959,
2.058264070292638e-16
],
[
4.472987552527903e-16,
3.151317874566532,
-9.206148154916602e-16
],
[
1.2180357816849445e-15,
6.30263574913306,
-6.985702105666289e-16
],
[
0,
0,
0
]
] | [
[
1.4855454925202474,
4.201757166088706,
2.5730402700000004
],
[
1.4855454925202474,
4.201757166088706,
-2.5730402699999995
],
[
-2.9710909850404943,
4.201757166088706,
0
]
] | [
65,
65,
48,
46
] | [
1,
1,
1
] | alex<agm001095806> | Fm-3m | Cd-Pd-Tb | 0.077061 | null | null | -0 | 3,694.61353 | 55.258049 |
[
[
1.8088820249999995,
6.039141753387793,
5.095283973605953
],
[
1.808882025,
1.3896254306022429,
8.327379950975487
],
[
1.808882025,
1.7239488263682787,
4.2348866143089765
],
[
1.8088820249999995,
6.373465149153828,
1.0027906369394417
],
[
-2.59411... | [
[
3.61776405,
0,
2.2152415819514326e-16
],
[
-4.753522014994622e-16,
7.763090579756072,
-0.5170378220850702
],
[
0,
0,
9.84720841
]
] | [
65,
65,
65,
65,
49,
49,
49,
49,
49,
78,
78
] | [
1,
1,
1
] | alex<agm003366548> | P2/m | In-Pt-Tb | 0.04071 | null | null | 0.000226 | 4,168.470237 | 67.00251 |
[
[
-1.5512480928180867e-16,
2.53338039,
1.5512480928180867e-16
],
[
0,
0,
2.53338039
],
[
1.873611565,
0,
1.1472562029613566e-16
],
[
1.8736115649999998,
2.53338039,
2.5333803900000005
]
] | [
[
3.74722313,
0,
2.2945124059227133e-16
],
[
-3.1024961856361734e-16,
5.06676078,
3.1024961856361734e-16
],
[
0,
0,
5.06676078
]
] | [
65,
65,
48,
46
] | [
1,
1,
1
] | alex<agm001219216> | P4/mmm | Cd-Pd-Tb | 0.068647 | null | null | 0.000068 | 3,694.61353 | 60.918941 |
[
[
-1.6203416906500313e-9,
2.767331537609738,
7.062578245163561
],
[
2.3841445191806123,
1.3994065803954006,
1.9343029151943336
],
[
-1.6367956504424422e-9,
2.7954324361513767,
3.802569819283084
],
[
0,
0,
0
],
[
2.3841445191970663,
1.3713056818... | [
[
4.76828904,
0,
2.919734955122703e-16
],
[
-2.3841445224397293,
4.166738118005139,
-0.053256989642106435
],
[
0,
0,
9.05013815
]
] | [
65,
65,
48,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003334609> | P-3m1 | Cd-Pd-Tb | 0.02826 | null | null | 0.000063 | 4,468.303358 | 89.63765 |
[
[
-3.4813634721930398,
0.8259688721071611,
-6.535422731863921
],
[
-0.34729037256081224,
-0.8259688721071613,
-1.543834065910439
],
[
-3.418768473011006,
-3.5780487710202555,
-6.257164823926587
],
[
-2.671722737125312,
1.0211016261274246,
-2.93627041764850... | [
[
-3.828653844753852,
0,
0.8612678322256413
],
[
-0.8197707434856921,
7.156097542040511,
-3.644183947695543
],
[
0.8197707434856921,
-7.156097542040511,
-5.296340682304457
]
] | [
65,
65,
65,
48,
48,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003377967> | Immm | Cd-Pd-Tb | 0.062155 | null | null | 0.000308 | 4,044.066824 | 79.013756 |
[
[
1.8514469349999998,
1.851446935,
1.6549908874079102
],
[
1.8514469349999998,
1.851446935,
5.500092544866276
],
[
1.8514469349999998,
1.851446935,
9.343546935
],
[
1.8514469349999998,
1.851446935,
13.187001325133727
],
[
1.8514469349999998,
1.... | [
[
3.70289387,
0,
2.2673685627389276e-16
],
[
-2.2673685627389276e-16,
3.70289387,
2.2673685627389276e-16
],
[
0,
0,
18.68709387
]
] | [
65,
65,
65,
65,
65,
48,
48,
48,
48,
46
] | [
1,
1,
1
] | alex<agm003641605> | P4/mmm | Cd-Pd-Tb | 0.009402 | null | null | 0.001222 | 2,886.848914 | 55.672768 |
[
[
0,
0,
0
],
[
2.3236641999999996,
2.4427552913061708,
4.230976275
],
[
2.3236642000000005,
-2.4427552913061703,
4.230976275
],
[
2.3236642,
0,
2.82065085
],
[
9.971708161994539e-17,
-1.6285035275374466,
2.8206508499999994
],
[
-9.9... | [
[
4.6473284,
0,
2.845667924823295e-16
],
[
-2.991512448598362e-16,
4.885510582612341,
2.8206508500000007
],
[
2.991512448598362e-16,
-4.885510582612341,
2.820650849999999
]
] | [
65,
48,
48,
48,
46,
46
] | [
1,
1,
1
] | alex<agm002350748> | P6/mmm | Cd-Pd-Tb | 0.084171 | null | null | 0.000384 | 3,714.806226 | 74.771873 |
[
[
0,
0,
0
],
[
-2.3938477300000005,
1.3820886313144745,
-1.8824823437973826
],
[
-2.3938477300000005,
-1.382088631314475,
-3.8344446162026187
],
[
0,
0,
-2.85846348
],
[
-2.3938477300000005,
1.3820886313144745,
-4.6802872849966155
],
[
... | [
[
-2.3938477300000005,
-4.146265893943424,
-5.863235920381315e-16
],
[
-2.3938477299999996,
4.146265893943424,
2.9316179601906574e-16
],
[
0,
0,
-5.71692696
]
] | [
65,
48,
48,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003434048> | P-3m1 | Cd-Pd-Tb | 0.017517 | null | null | -0.000124 | 4,749.619168 | 93.275986 |
[
[
0.005109455063356452,
0.6477318123763444,
6.531805207500001
],
[
2.045889746531924,
4.376782629630477,
2.1772684025000006
],
[
2.043078306383475,
1.426382322808474,
0.3881812643986008
],
[
0.007920895211805347,
3.5981321191983473,
8.3208923456014
],
... | [
[
4.08076125,
0,
2.498745601448526e-16
],
[
-2.0297620484047196,
5.024514442006821,
3.318187188861277e-16
],
[
0,
0,
8.70907361
]
] | [
65,
65,
48,
48,
48,
48,
46,
46
] | [
1,
1,
1
] | alex<agm002179659> | Cmcm | Cd-Pd-Tb | 0 | null | null | -0.000076 | 3,338.241898 | 76.159378 |
[
[
1.912349645,
0,
1.1709764357999135e-16
],
[
-2.745000433248118e-16,
4.48292591,
4.48292591
],
[
-1.8139689739018286e-16,
2.9624361492060967,
0.8527228003602689
],
[
-3.6760318925944067e-16,
6.003415670793903,
8.11312901963973
],
[
1.9123496449999... | [
[
3.82469929,
0,
2.341952871599827e-16
],
[
-5.490000866496236e-16,
8.96585182,
5.490000866496236e-16
],
[
0,
0,
8.96585182
]
] | [
65,
65,
48,
48,
48,
48,
48,
48,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003456451> | P4_2/mnm | Cd-Pd-Tb | 0.043195 | null | null | 0.000004 | 3,384.336671 | 62.591736 |
[
[
2.105307116876818,
4.356057530456244,
2.0171349175000004
],
[
-2.0682488222191687e-8,
1.9596791890612637,
6.0514047525
],
[
3.715712926129281e-10,
1.964907292760313,
2.0171349175
],
[
2.105307095822758,
4.350829426757195,
6.051404752500001
],
[
2... | [
[
4.21061419,
0,
2.578257595113963e-16
],
[
-2.1053070938056706,
6.315736719517508,
4.076475983249499e-16
],
[
0,
0,
8.06853967
]
] | [
65,
65,
48,
48,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003741637> | Cmcm | Cd-Pd-Tb | 0.072537 | null | null | -0.000261 | 5,802.220974 | 119.451691 |
[
[
2.220446049250313e-16,
9.891700208742101,
7.771561172376096e-16
],
[
5.671753582874023e-16,
6.594466805828067,
4.440892098500626e-16
],
[
0.774660033670987,
3.8450007658369874,
1.3417505369111686
],
[
-1.554330733618918e-8,
1.653931270182057,
-2.69217962... | [
[
1.554330732236873,
4.396311203885379,
2.6921798000000003
],
[
1.554330732236873,
4.396311203885379,
-2.6921797999999995
],
[
-3.1086614644737454,
4.396311203885379,
0
]
] | [
65,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002307110> | F-43m | Cd-Pd-Tb | 0.078105 | null | null | 0.000073 | 5,802.220974 | 117.882347 |
[
[
2.1361931230341176,
1.2160915386246325,
5.614481922210583
],
[
1.960260999908923e-8,
3.5424989533262363,
0.4102544590260452
],
[
2.136193164593878,
3.5600799465859883,
3.1760975171937833
],
[
-2.195715120065929e-8,
1.1985105453648806,
2.848638864042845
... | [
[
4.27238629,
0,
2.616082097384768e-16
],
[
-2.1361931473632727,
4.758590491950869,
-1.3545195587633725
],
[
0,
0,
7.37925594
]
] | [
65,
65,
48,
48,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003307790> | C2/m | Cd-Pd-Tb | 0.019136 | null | null | -0 | 4,445.458178 | 79.690422 |
[
[
0,
0,
0
],
[
0,
0,
7.370333201921378
],
[
0,
0,
3.964050878078621
],
[
1.8189126549999999,
1.818912655,
9.388868448911902
],
[
1.8189126549999999,
1.818912655,
1.9455156310880988
],
[
1.8189126549999999,
1.818912655,
5.667... | [
[
3.63782531,
0,
2.2275255608743643e-16
],
[
-2.2275255608743643e-16,
3.63782531,
2.2275255608743643e-16
],
[
0,
0,
11.33438408
]
] | [
65,
65,
65,
48,
48,
46
] | [
1,
1,
1
] | alex<agm003436866> | P4/mmm | Cd-Pd-Tb | 0.015807 | null | null | 0.000087 | 3,244.524494 | 59.705265 |
[
[
1.8774013249999995,
5.947082856535805,
4.700896723077295
],
[
1.877401325,
1.2802477738451408,
7.953375577994388
],
[
1.877401325,
1.766821004677556,
4.0067178253964135
],
[
1.8774013249999995,
6.43365608736822,
0.7542389704793206
],
[
-2.5814545... | [
[
3.75480265,
0,
2.2991535233762496e-16
],
[
-4.7234038362826755e-16,
7.713903861213361,
-0.6837213515262912
],
[
0,
0,
9.3913359
]
] | [
65,
65,
65,
65,
48,
48,
48,
48,
48,
46,
46
] | [
1,
1,
1
] | alex<agm003366863> | P2/m | Cd-Pd-Tb | 0.041527 | null | null | 0.000244 | 3,122.130356 | 61.16164 |
[
[
1.1702503374999997,
2.204138982508433,
1.4174341167488942
],
[
3.5107510125,
3.012457986017243,
5.820190054530572
],
[
1.1702503375,
0.46908818891897763,
7.556218436864625
],
[
3.5107510124999997,
4.747508779606698,
-0.31859426558515785
],
[
1.17... | [
[
4.68100135,
0,
2.8662866600409695e-16
],
[
-3.1942443899733773e-16,
5.216596968525676,
-1.6432452887205335
],
[
0,
0,
8.88086946
]
] | [
65,
65,
48,
48,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003387909> | P2_1/m | Cd-Pd-Tb | 0.051252 | null | null | 0 | 4,169.812157 | 80.404457 |
[
[
3.5362239252316607,
2.9768986381950384,
0.6661510908754447
],
[
5.562641333177643,
0.10123998937809954,
0.6677427811955806
],
[
2.423900667330908,
1.8064761428297198,
3.3949734119503283
],
[
-0.2390868718851258,
3.612311963195549,
-1.3113478533570444
]... | [
[
5.865708021815866,
0,
-0.3073219194356775
],
[
-1.7260727167570906,
6.077472132596212,
-2.4844669178773304
],
[
0,
0,
7.26904515
]
] | [
65,
65,
48,
48,
48,
48,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003458447> | P1 | Cd-Pd-Tb | 0.093176 | null | null | -0.000136 | 5,176.965153 | 102.405563 |
[
[
1.96636235463652,
1.251012894603037,
2.6356969119885116
],
[
1.7499326108502278e-8,
3.8687420742522596,
4.748662630588334
],
[
-2.143452854521256e-8,
3.165541681377997,
0.7517520977578117
],
[
0,
0,
0
],
[
1.966362393570375,
1.954213287477299... | [
[
3.93272475,
0,
2.4080993885075373e-16
],
[
-1.9663623778641544,
5.119754968855297,
-0.44812662742315507
],
[
0,
0,
7.83248617
]
] | [
65,
65,
48,
48,
48,
46,
46
] | [
1,
1,
1
] | alex<agm003312377> | C2/m | Cd-Pd-Tb | 0.040324 | null | null | 0 | 3,602.229171 | 64.563766 |
[
[
-2.270210813067393e-8,
3.5761926885100994,
5.495405456016146
],
[
0,
0,
0
],
[
2.2303918121613697,
1.28024094085295,
3.48354174374227
],
[
-3.569675822461245e-10,
3.205968347060299,
1.8957687200577222
],
[
2.2303917898162298,
1.65046528230275... | [
[
4.46078358,
0,
2.7314421664680356e-16
],
[
-2.230391790540738,
4.85643362936305,
-0.13147320024158504
],
[
0,
0,
9.1104204
]
] | [
65,
65,
65,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003341957> | C2/m | Cd-Pd-Tb | 0.07015 | null | null | 0.000178 | 4,591.337829 | 78.503517 |
[
[
0,
0,
0
],
[
0,
0,
7.907542193914188
],
[
0,
0,
3.4972552460858113
],
[
1.764079555,
1.764079555,
5.70239872
],
[
1.764079555,
1.764079555,
9.585707499909555
],
[
1.764079555,
1.764079555,
1.819089940090445
]
] | [
[
3.52815911,
0,
2.1603743804720372e-16
],
[
-2.1603743804720372e-16,
3.52815911,
2.1603743804720372e-16
],
[
0,
0,
11.40479744
]
] | [
65,
65,
65,
48,
46,
46
] | [
1,
1,
1
] | alex<agm002306923> | P4/mmm | Cd-Pd-Tb | 0.03927 | null | null | 0.00006 | 4,148.064651 | 70.342766 |
[
[
1.76164603,
1.76164603,
2.1484733947614503
],
[
1.76164603,
1.76164603,
5.6831908489363
],
[
1.76164603,
1.76164603,
9.23793189
],
[
1.76164603,
1.76164603,
12.792672931063702
],
[
1.76164603,
1.76164603,
16.32739038523855
],
[
0,... | [
[
3.52329206,
0,
2.1573941718701422e-16
],
[
-2.1573941718701422e-16,
3.52329206,
2.1573941718701422e-16
],
[
0,
0,
18.47586378
]
] | [
65,
65,
65,
65,
65,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003641607> | P4/mmm | Cd-Pd-Tb | 0.040141 | null | null | 0.000068 | 4,513.27164 | 77.424721 |
[
[
2.610550862981821,
0,
-4.260485611837112
],
[
4.240983936269041,
-2.4195753612178854,
-1.0613311361594324
],
[
0,
0,
0
],
[
0,
0,
-2.930031425
],
[
4.240983936269041,
-2.4195753612178854,
-3.9913625611594323
],
[
2.610550862981821... | [
[
1.9602355793892015,
4.839150722435771,
2.6609083749704174
],
[
3.2608661465744406,
-4.839150722435771,
0.538246101355359
],
[
0,
0,
-5.86006285
]
] | [
65,
65,
48,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003469660> | I4/mmm | Cd-Pd-Tb | 0.028795 | null | null | -0.000041 | 5,599.008637 | 116.160049 |
[
[
0,
0,
0
],
[
3.380554063849282,
3.99807229,
-1.5705373113637078
],
[
5.394384939391157,
6.562264979196326,
-0.32622881796365394
],
[
3.0326321047625227,
1.4338796008036747,
0.7709939676940766
],
[
6.413186168611804,
2.5641926891963256,
-0... | [
[
6.761108127698565,
0,
-3.141074622727416
],
[
-4.896226432708229e-16,
7.99614458,
4.896226432708229e-16
],
[
0,
0,
8.84712074
]
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
48,
48,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003315701> | Cmce | Cd-Pd-Tb | 0.076142 | null | null | 0.00022 | 3,617.927637 | 64.167358 |
[
[
0,
0,
3.1139831356054626
],
[
0,
0,
6.527545113080913
],
[
0,
0,
9.981641766919088
],
[
0,
0,
13.39520374439454
],
[
0,
0,
0
],
[
1.78812033,
1.78812033,
1.4785289331396962
],
[
1.78812033,
1.78812033,
4.79... | [
[
3.57624066,
0,
2.1898158386248089e-16
],
[
-2.1898158386248089e-16,
3.57624066,
2.1898158386248089e-16
],
[
0,
0,
16.50918688
]
] | [
65,
65,
65,
65,
48,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003641608> | P4/mmm | Cd-Pd-Tb | 0.076304 | null | null | 0.00094 | 4,978.555621 | 89.631516 |
[
[
0,
0,
0
],
[
-2.5990781658168847,
2.8565063028550943,
-3.3393880073761943
],
[
2.599078165816885,
-2.856506302855093,
-3.675651592623805
],
[
-1.6577166981119207,
1.2260204117795808,
-4.6706741626533566
],
[
1.6577166981119211,
-1.22602041177... | [
[
-3.306921382159386,
-5.727755849266199,
-2.338346534370083
],
[
-3.306921379960108,
5.727755849266199,
-2.3383465328149584
],
[
6.613842762119494,
0,
-2.3383465328149584
]
] | [
60,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
44,
44,
44,
44
] | [
1,
1,
1
] | mp-1189367 | Im-3 | Nd-P-Ru | 0.000486 | 0 | null | -0.000001 | 6,060.575025 | 171.682663 |
[
[
3.7614799874577085,
2.4867151025422918,
5.610812647542292
],
[
2.4867151025422913,
5.610812647542292,
3.761479987457709
],
[
0.6373824424577085,
0.6373824424577085,
0.6373824424577086
],
[
5.610812647542292,
3.7614799874577085,
2.486715102542292
],
[... | [
[
6.24819509,
0,
3.8259160587083546e-16
],
[
-3.8259160587083546e-16,
6.24819509,
3.8259160587083546e-16
],
[
0,
0,
6.24819509
]
] | [
60,
60,
60,
60,
15,
15,
15,
15,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002350546> | P2_13 | Nd-P-Ru | 0.059208 | null | null | -0 | 5,116.718198 | 116.980583 |
[
[
1.90661979,
0,
1.1674679115072492e-16
],
[
-2.314014795980923e-16,
3.77907295,
3.7790729500000007
],
[
-3.5876009172643217e-16,
5.85899692835869,
1.6991489716413115
],
[
-1.0404286746975242e-16,
1.699148971641311,
5.85899692835869
],
[
1.90661978... | [
[
3.81323958,
0,
2.3349358230144984e-16
],
[
-4.628029591961846e-16,
7.5581459,
4.628029591961846e-16
],
[
0,
0,
7.5581459
]
] | [
60,
60,
15,
15,
15,
15,
44,
44,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm003456365> | P4_2/mnm | Nd-P-Ru | 0.064634 | null | null | -0.000003 | 6,547.947793 | 193.079041 |
[
[
1.2070562054109681,
1.877697666282635,
2.9662056371254373
],
[
4.086575817471921,
4.439374133928745,
7.394289877835323
],
[
2.2516932110070607,
1.3950206963676717,
6.457395829502705
],
[
3.041938811875829,
4.9220511038437085,
3.9030996854580544
],
[
... | [
[
3.8782662267990595,
0,
1.1998541484202714
],
[
1.41536579608383,
6.31707180021138,
2.292890426540489
],
[
0,
0,
6.86775094
]
] | [
19,
19,
52,
52,
46
] | [
1,
1,
1
] | mp-1206350 | Immm | K-Pd-Te | 0.068344 | 0.2103 | null | null | 6,059.015326 | 18.624685 |
[
[
-2.781737853785099e-16,
4.542922670800843,
1.8754520549967568
],
[
-1.903174781766346e-16,
3.1081202891991557,
9.101602505003243
],
[
-4.392815360093767e-17,
0.7174011908008441,
3.613075225003243
],
[
-4.2456310995420694e-16,
6.9336417691991565,
7.363979... | [
[
4.04699338,
0,
2.478068744493764e-16
],
[
-4.684912635551446e-16,
7.65104296,
4.684912635551446e-16
],
[
0,
0,
10.97705456
]
] | [
19,
19,
19,
19,
52,
52,
52,
52,
46,
46
] | [
1,
1,
1
] | alex<agm002217558> | Pbam | K-Pd-Te | 0.080657 | null | null | -0.00003 | 6,059.015326 | 16.088963 |
[
[
2.450490281796399,
2.326242669899147,
4.029170495000001
],
[
4.310539868203601,
-2.3262426698991483,
4.029170495
],
[
5.452211678781595,
1.1950219613916873,
5.988502236708983
],
[
5.452211678781595,
4.588684086914065,
4.029170495000002
],
[
5.452... | [
[
6.76103015,
0,
4.1399369660681246e-16
],
[
-4.2732384595979765e-16,
6.978728009697443,
4.029170495000002
],
[
4.2732384595979765e-16,
-6.978728009697443,
4.029170494999998
]
] | [
19,
19,
52,
52,
52,
52,
52,
52,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002217938> | P-3m1 | K-Pd-Te | 0.081779 | null | null | 0.000054 | 6,081.164096 | 22.146591 |
[
[
-1.9404970408045112,
-1.366945913496083,
-4.726471179502719
],
[
-7.41342681840193,
-5.22224630150192,
-11.393827298921053
],
[
-3.740514029062551,
-5.027389127913867,
-5.756842741404243
],
[
-2.217113522110691,
-1.561803087084135,
-8.42250489510878
],... | [
[
-2.356146905892215,
-6.589192214998002,
-3.999162569211886
],
[
-6.997776953314227,
0,
-3.999162569211886
],
[
0,
0,
-8.12197334
]
] | [
19,
19,
52,
52,
52,
52,
52,
52,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002217937> | R-3m | K-Pd-Te | 0.079055 | null | null | 0.000049 | 6,081.164096 | 21.273088 |
[
[
2.1064015,
0,
2.5874270395120003
],
[
-1.2897989273470917e-16,
2.1064015,
7.474274960488
],
[
-1.2897989273470917e-16,
2.1064015,
1.2856943432620003
],
[
2.1064015,
0,
8.776007656738
],
[
0,
0,
5.030851
],
[
2.1064015,
2.10640... | [
[
4.212803,
0,
2.5795978546941833e-16
],
[
-2.5795978546941833e-16,
4.212803,
2.5795978546941833e-16
],
[
0,
0,
10.061702
]
] | [
57,
57,
14,
14,
14,
14,
77,
77,
77,
77
] | [
1,
1,
1
] | mp-10152 | P4/nmm | Ir-La-Si | 0.013978 | 0 | null | 0.000002 | 6,876.713301 | 142.642197 |
[
[
2.17644427649846e-8,
2.2125449514155267,
-0.3522777452587996
],
[
2.13131537476218,
5.272064556330189,
6.602811637029161
],
[
2.1313154163683876,
0.27079339652852524,
1.8224817265272237
],
[
-1.9841764657190048e-8,
7.213816111217191,
4.4280521652431375
... | [
[
4.26263079,
0,
2.610108576460227e-16
],
[
-2.1313153934733777,
7.484609507745716,
-3.10840144822964
],
[
0,
0,
9.35893534
]
] | [
19,
19,
52,
52,
52,
52,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003425977> | C2/m | K-Pd-Te | 0.070886 | null | null | -0 | 6,659.624293 | 52.244102 |
[
[
-3.8606954384609105,
0,
0.26105042583591975
],
[
-8.2437008418287,
0,
1.6016972179181832
],
[
-8.306387996861831,
-4.039035580920827,
1.7312691856964528
],
[
-6.824107353123832,
-1.9703210506185553,
-1.3325520709039054
],
[
-3.798008282921871,
... | [
[
-6.052198140144806,
0,
-2.9280610581229487
],
[
-3.0260990696960524,
-6.009356631539383,
-1.4640305289615554
],
[
-6.052198140144806,
0,
4.790808701877051
]
] | [
19,
19,
52,
52,
52,
52,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002218107> | Fmmm | K-Pd-Te | 0.058281 | null | null | 0 | 6,188.263124 | 14.280716 |
[
[
0,
0,
0
],
[
2.308899385,
2.308899385,
1.8484723877634464
],
[
2.308899385,
2.308899385,
7.471851732236555
],
[
-1.4137931206967713e-16,
2.308899385,
3.10876223471751
],
[
2.308899385,
0,
3.10876223471751
],
[
-1.4137931206967713e... | [
[
4.61779877,
0,
2.8275862413935427e-16
],
[
-2.8275862413935427e-16,
4.61779877,
2.8275862413935427e-16
],
[
0,
0,
9.32032412
]
] | [
19,
52,
52,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003483825> | P4/mmm | K-Pd-Te | 0.078044 | null | null | -0.000131 | 7,118.372099 | 60.442249 |
[
[
1.5362094999999996,
5.862108814436,
1.2364142523460002
],
[
1.5362095,
1.350495185564,
8.056998747654
],
[
-3.0351629036617807e-16,
4.956797185564,
5.883120752346
],
[
-1.3812832973969172e-16,
2.255806814436,
3.410292247654
],
[
1.536209499999999... | [
[
3.072419,
0,
1.8813140469947558e-16
],
[
-4.416446201058698e-16,
7.212604,
4.416446201058698e-16
],
[
0,
0,
9.293413
]
] | [
23,
23,
23,
23,
23,
23,
23,
23,
5,
5,
5,
5,
5,
5,
5,
5,
77,
77,
77,
77
] | [
1,
1,
1
] | mp-1189371 | Pnnm | B-Ir-V | 0.048728 | 0 | null | 0.000001 | 6,774.380309 | 287.267365 |
[
[
3.281388494258408e-10,
1.7091988537266014,
-2.093332529767971
],
[
3.9472256724249526,
-1.7091988537265999,
-3.4888875499226573
],
[
-3.4538224628386076,
4.272997134316503,
-3.4888875496906273
],
[
-2.467016045634752,
-0.8545994268633,
-4.884442570309374... | [
[
-3.947225674065649,
-6.836795414906403,
-2.7911100412374914
],
[
-3.9472256714405347,
6.836795414906403,
-2.7911100393812545
],
[
7.894451345506184,
0,
-2.7911100393812545
]
] | [
64,
64,
64,
64,
64,
64,
29,
29,
29,
29,
29,
29,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1189617 | I-43d | Cu-Gd-Sb | 0 | 0.3003 | null | 0.011592 | 2,961.74967 | 86.47596 |
[
[
-1.3318787496519153e-16,
2.175123065,
7.353684653812489
],
[
2.175123065,
0,
2.4874556861875132
],
[
0,
0,
4.92057017
],
[
2.175123065,
2.175123065,
4.92057017
],
[
-1.3318787496519153e-16,
2.175123065,
3.363786303607521
],
[
2.17... | [
[
4.35024613,
0,
2.6637574993038305e-16
],
[
-2.6637574993038305e-16,
4.35024613,
2.6637574993038305e-16
],
[
0,
0,
9.84114034
]
] | [
64,
64,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-20502 | P4/nmm | Cu-Gd-Sb | 0 | 0 | null | 0.005346 | 3,038.366113 | 63.399418 |
[
[
-2.1139771850000004,
-1.2205052968204777,
-0.9195200580799996
],
[
-2.113977185,
1.2205052968204777,
-7.1365519419200005
],
[
-2.1139771850000004,
-1.2205052968204777,
-3.4748335918319997
],
[
-2.113977185,
1.2205052968204777,
-4.581238408168
],
[
... | [
[
-2.1139771850000004,
-3.661515890461432,
-5.177750786161564e-16
],
[
-2.1139771849999995,
3.661515890461432,
2.588875393080782e-16
],
[
0,
0,
-8.056072
]
] | [
3,
3,
3,
3,
3,
29,
29,
32,
32
] | [
1,
1,
1
] | mp-1205902 | P-3m1 | Cu-Ge-Li | 0 | 0 | null | 0.000003 | 1,994.389029 | 51.122952 |
[
[
2.1082125,
3.3524912522520003,
1.0919102202840003
],
[
-5.701800871382162e-17,
0.931174747748,
4.003624220284
],
[
2.1082125,
1.2236934478900001,
5.460016975659999
],
[
-1.8736927957101348e-16,
3.0599725521100005,
2.54830297566
],
[
2.1082125,
... | [
[
4.216425,
0,
2.5818156900474394e-16
],
[
-2.622988927758173e-16,
4.283666,
2.622988927758173e-16
],
[
0,
0,
5.823428
]
] | [
3,
3,
3,
3,
29,
29,
32,
32
] | [
1,
1,
1
] | mp-676117 | Pmn2_1 | Cu-Ge-Li | 0 | 0 | 59.702739 | -0.000001 | 1,943.381667 | 61.395866 |
[
[
2.0994465899790846,
0.2753729328656656,
1.2666824463131936
],
[
2.0994465899790846,
0.2753729328656656,
6.184980763686807
],
[
-1.1415704975207827e-10,
1.5030118953029625,
6.239965096180755
],
[
-1.1415704975207827e-10,
1.5030118953029625,
1.211698113819... | [
[
4.19889318,
0,
2.5710805464243253e-16
],
[
-2.099446590277759,
3.657026601781915,
2.5820538287407676e-16
],
[
0,
0,
7.45166321
]
] | [
3,
3,
29,
29,
29,
29,
29,
32,
32
] | [
1,
1,
1
] | alex<agm003312989> | P-6m2 | Cu-Ge-Li | 0.081912 | null | null | -0.000146 | 1,700.450836 | 92.931488 |
[
[
2.8328708703122265,
0.9908875150210487,
0.9291811598976647
],
[
1.210102676931181,
-0.990887515021049,
2.724736045
],
[
2.420205353862362,
-1.9817750300420978,
3.988706044608765e-17
],
[
0,
0,
0
]
] | [
[
0.797437160481317,
-3.9635500600841955,
1.7955548851023353
],
[
4.042973547243407,
0,
-1.7955548851023353
],
[
-0.797437160481317,
3.9635500600841955,
3.653917204897665
]
] | [
40,
40,
40,
22
] | [
1,
1,
1
] | alex<agm001280524> | I4/mmm | Ti-Zr | 0.076711 | null | null | 0.000002 | 2,451.131589 | 97.802383 |
[
[
0,
0,
-4.3863965
],
[
0,
0,
0
],
[
-3.1257500800000004,
-1.8046526501074946,
-6.57959475
],
[
-3.12575008,
1.8046526501074949,
-2.19319825
],
[
-1.8613247833884798,
0.24286473969351743,
-5.731441122760001
],
[
-5.110510734047679,
... | [
[
-3.125750080000001,
-5.413957950322483,
-7.655879660813166e-16
],
[
-3.125750079999999,
5.413957950322483,
3.827939830406583e-16
],
[
0,
0,
-8.772793
]
] | [
28,
28,
42,
42,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | mp-5673 | P-31c | Mo-Ni-P | 0.010993 | 0 | null | 0.000001 | 4,622.621711 | 119.609055 |
[
[
0,
0,
0
],
[
2.637469788409518,
-1.4352958932486894,
1.1460459412808093
],
[
1.2490705207663881,
1.4352958932486892,
3.361367557137369
],
[
2.780738421606833,
0.9623273821567574,
1.5315954584181786
],
[
1.105801887569072,
-0.9623273821567573,... | [
[
0.5366672411003829,
-3.8493095286270296,
1.4442225815818215
],
[
3.8865403091759054,
0,
-1.4442225815818215
],
[
-0.5366672411003829,
3.8493095286270296,
4.507413498418178
]
] | [
57,
14,
14,
77,
77
] | [
1,
1,
1
] | mp-3585 | I4/mmm | Ir-La-Si | 0 | 0 | null | 0.000053 | 6,876.713301 | 141.032715 |
[
[
0.3523878943894223,
2.6677966630838035,
3.313110429521354
],
[
2.439457167450317,
1.4935532654905763,
9.180548994577457
],
[
0,
0,
0
],
[
1.6999300679672058,
0.3860015760736495,
2.237619398533682
],
[
0.7370771338462185,
1.1007501294126691,
... | [
[
2.8795201369203527,
0,
-0.30537763418471603
],
[
-0.08767507508061312,
4.16134992857438,
-0.654937681716474
],
[
0,
0,
13.45397474
]
] | [
3,
3,
3,
29,
29,
29,
29,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003377078> | Immm | Cu-Ge-Li | 0.057004 | null | null | 0.000064 | 1,804.908349 | 69.384827 |
[
[
3.201149955680624,
1.3131408867318548,
4.073047171526092
],
[
0,
0,
0
],
[
2.619178033013689,
3.302123669357398,
6.18729772845661
],
[
2.5349118090147575,
0.3433315610438842,
6.4934291766379095
],
[
3.2854161796795562,
4.271932995045368,
... | [
[
4.01787333928388,
0,
1.1059661152445988
],
[
1.8024546494104334,
4.615264556089253,
1.3031132847381024
],
[
0,
0,
7.8512655
]
] | [
3,
3,
3,
29,
29,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003332186> | C2/m | Cu-Ge-Li | 0.05425 | null | null | -0.000216 | 1,893.286048 | 53.273724 |
[
[
-2.073110567575317,
-1.2049516308826587,
-3.400738941520669
],
[
0,
0,
0
],
[
-4.139259118814189,
-2.4058567371515127,
-4.390459672371617
],
[
-4.13893439825068,
-2.405668000198115,
-6.920027940806922
],
[
-0.004893918467846614,
-0.0028444865... | [
[
-2.056831880570038,
-3.6108083680341716,
-0.03870472194614325
],
[
-4.155537805819468,
0,
-0.03870472194614325
],
[
0,
0,
-7.71378917
]
] | [
3,
3,
3,
29,
29,
29,
29,
32,
32
] | [
1,
1,
1
] | alex<agm003332187> | P-3m1 | Cu-Ge-Li | 0.038198 | null | null | -0.000119 | 1,772.038155 | 79.403549 |
[
[
-5.096473599885027e-10,
1.2402560963833384,
4.142683554164877
],
[
2.0161080337786474,
2.9722312012878014,
0.2930319697674899
],
[
2.016108035,
0,
1.234510125899005e-16
],
[
1.8832704842812356e-8,
3.232678296310961,
2.15491671261883
],
[
2.016108... | [
[
4.03221607,
0,
2.46902025179801e-16
],
[
-2.0161080367309996,
4.21248729767114,
-1.7369395860676327
],
[
0,
0,
6.17265511
]
] | [
3,
3,
29,
29,
29,
32,
32
] | [
1,
1,
1
] | alex<agm003306613> | C2/m | Cu-Ge-Li | 0.087417 | null | null | -0 | 1,773.28016 | 64.383911 |
[
[
1.833937948653534,
1.1486578073341558,
1.3765594269305133
],
[
2.7111090647346567,
1.2046132545621306,
6.510327890969891
],
[
4.070958527702606,
3.379251240964904,
9.74862584023369
],
[
3.1937874116214835,
3.3232957937369294,
4.614857376194311
],
[
... | [
[
4.102897428333952,
0,
1.0447957643748205
],
[
1.8019990480221886,
4.52790904829906,
1.5019830227893811
],
[
0,
0,
8.57840648
]
] | [
3,
3,
3,
3,
29,
29,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003390268> | C2/m | Cu-Ge-Li | 0.08618 | null | null | -0.000001 | 1,929.231999 | 50.836224 |
[
[
-2.10883604,
-1.2175370553707852,
-6.97367708035895
],
[
-2.10883604,
-1.2175370553707852,
-4.18319788
],
[
-2.10883604,
-1.2175370553707852,
-1.3927186796410502
],
[
-2.10883604,
1.217537055370785,
-2.791327050905268
],
[
-2.10883604,
1.2175... | [
[
-2.1088360400000004,
-3.6526111661123535,
-5.165158612625159e-16
],
[
-2.1088360399999995,
3.6526111661123535,
2.5825793063125794e-16
],
[
0,
0,
-8.36639576
]
] | [
3,
3,
3,
29,
29,
29,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002218747> | P-6m2 | Cu-Ge-Li | 0.039395 | null | null | 0 | 1,833.946076 | 66.796219 |
[
[
0,
0,
0
],
[
0,
0,
-2.792981925
],
[
-2.0977325500000004,
1.21112645243034,
-4.1894728875
],
[
-2.09773255,
-1.2111264524303404,
-1.3964909625000002
],
[
-2.09773255,
-1.2111264524303404,
-4.1894728875
],
[
-2.0977325500000004,
... | [
[
-2.0977325500000004,
-3.6333793572910205,
-5.13796290564943e-16
],
[
-2.0977325499999995,
3.6333793572910205,
2.568981452824715e-16
],
[
0,
0,
-5.58596385
]
] | [
3,
3,
29,
29,
32,
32
] | [
1,
1,
1
] | alex<agm002218748> | P6_3/mmc | Cu-Ge-Li | 0.034302 | null | null | -0.000121 | 1,833.946076 | 67.496475 |
[
[
2.97590751,
0.32355049179278444,
0.8389065312806501
],
[
0.9919691699999997,
3.4566556730450357,
3.364797624635178
],
[
2.97590751,
2.8785495380996826,
1.8528514029982834
],
[
0.99196917,
0.9016566267381376,
2.3508527529175445
],
[
2.97590751,
... | [
[
3.96787668,
0,
2.429623737786713e-16
],
[
-2.314708689942864e-16,
3.78020616483782,
-1.4359436140841717
],
[
0,
0,
5.63964777
]
] | [
3,
3,
29,
29,
32,
32
] | [
1,
1,
1
] | alex<agm003601187> | Cmcm | Cu-Ge-Li | 0.060903 | null | null | -0.000018 | 1,833.946076 | 68.00235 |
[
[
-7.434119546952406e-17,
1.2140838570154806,
2.102854925
],
[
1.427324275,
-1.2140838570154806,
2.102854925
],
[
1.4273242749999997,
5.679791446751075e-50,
8.739840523620331e-17
]
] | [
[
2.85464855,
0,
1.7479681047240665e-16
],
[
-2.2302358640857215e-16,
3.642251571046441,
2.102854925000001
],
[
2.2302358640857215e-16,
-3.642251571046441,
2.102854924999999
]
] | [
3,
29,
32
] | [
1,
1,
1
] | alex<agm001258387> | P-6m2 | Cu-Ge-Li | 0.044076 | null | null | 0.000044 | 1,833.946076 | 65.783691 |
[
[
-2.513196866007956e-16,
4.10436195604764,
1.9592333342554884
],
[
-1.137500990982169e-16,
1.857680094822673,
0.6746241072331571
],
[
-2.5250994052102793e-16,
4.123800277710033,
-0.628704532488761
],
[
-1.1369947914485168e-16,
1.856853408248218,
3.2285433... | [
[
4.28072461,
0,
2.621187845833901e-16
],
[
-2.740064597013978e-16,
4.474865077705209,
-2.573658651781463
],
[
0,
0,
5.17709221
]
] | [
3,
29,
29,
29,
29,
29,
29,
32
] | [
1,
1,
1
] | alex<agm003769982> | P-6m2 | Cu-Ge-Li | 0.07636 | null | null | 0.000002 | 1,603.712648 | 110.426353 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.