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 |
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1
] | alex<agm003410115> | Cmcm | Al-Pd-Pr | 0.052226 | null | null | 0.00001 | 5,108.161579 | 90.840591 |
[
[
0,
0,
0
],
[
0.6747308056211897,
2.933766543308156,
4.478615017603875
],
[
3.2588458306130956,
3.18106452150448,
3.231181942134407
],
[
1.9930009780732416,
2.686468565111832,
7.027321257045736
],
[
2.5051510508136174,
4.913325166353349,
5... | [
[
3.9023851974439574,
0,
1.301273163972392
],
[
1.3494616112423794,
5.867533086616312,
2.4551663052077517
],
[
0,
0,
6.50206373
]
] | [
59,
13,
13,
13,
13,
13,
46,
46
] | [
1,
1,
1
] | alex<agm002249215> | Immm | Al-Pd-Pr | 0 | null | null | -0.000372 | 4,654.490001 | 86.044327 |
[
[
0,
0,
0
],
[
2.012553345,
1.2880251954798874,
2.2309250800000004
],
[
2.012553345,
-1.2880251954798878,
2.23092508
]
] | [
[
4.02510669,
0,
2.464667012067549e-16
],
[
-2.366063899298382e-16,
3.8640755864396623,
2.230925080000001
],
[
2.366063899298382e-16,
-3.8640755864396623,
2.230925079999999
]
] | [
59,
13,
46
] | [
1,
1,
1
] | alex<agm001272138> | P-6m2 | Al-Pd-Pr | 0.074921 | null | null | -0 | 4,794.426539 | 87.530235 |
[
[
1.1504747725,
0.2655968519354544,
2.519922646284898
],
[
1.1504747724999997,
3.8860101719354545,
1.3973035837151022
],
[
3.4514243174999995,
6.975229788064545,
5.314529813715102
],
[
3.4514243175,
3.3548164680645454,
6.4371488762848985
],
[
3.451... | [
[
4.60189909,
0,
2.817850495283809e-16
],
[
-4.433727583928442e-16,
7.24082664,
4.433727583928442e-16
],
[
0,
0,
7.83445246
]
] | [
59,
59,
59,
59,
13,
13,
13,
13,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002250281> | Pnma | Al-Pd-Pr | 0 | null | null | 0 | 4,794.426539 | 86.182335 |
[
[
1.4033447174999998,
2.073414704306707,
4.81605460412963
],
[
4.2100341525000005,
3.738387785693293,
3.19504297587037
],
[
4.2100341525000005,
2.073414704306707,
7.200591765870369
],
[
1.4033447174999998,
3.738387785693293,
0.8105058141296307
],
[
... | [
[
5.61337887,
0,
3.437203232773443e-16
],
[
-3.5587026583275584e-16,
5.81180249,
3.5587026583275584e-16
],
[
0,
0,
8.01109758
]
] | [
59,
59,
59,
59,
13,
13,
13,
13,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002329488> | Pbcm | Al-Pd-Pr | 0.030119 | null | null | 0.000168 | 4,794.426539 | 88.872749 |
[
[
1.98482986,
0,
1.2153577674505446e-16
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[
-2.4318240668139756e-16,
3.97147009,
3.9714700900000004
],
[
-3.772713910393589e-16,
6.161309388176736,
1.7816307918232646
],
[
-1.0909342232343625e-16,
1.7816307918232641,
6.161309388176736
],
[
1.98482... | [
[
3.96965972,
0,
2.4307155349010893e-16
],
[
-4.863648133627951e-16,
7.94294018,
4.863648133627951e-16
],
[
0,
0,
7.94294018
]
] | [
59,
59,
13,
13,
13,
13,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003457122> | P4_2/mnm | Al-Pd-Pr | 0.078515 | null | null | 0 | 6,278.643504 | 116.483109 |
[
[
0,
0,
0
],
[
3.7700618286883363,
4.297767188528231,
7.698993387553909
],
[
1.216840709324774,
1.5238666933419414,
2.6917454899833677
],
[
0.6113779521089584,
2.9108169409350864,
4.597398362546327
],
[
3.103670844013731,
3.2233572939498463,
... | [
[
3.7641466337951934,
0,
1.195942152444622
],
[
1.2227559042179168,
5.821633881870173,
2.6731278150926556
],
[
0,
0,
6.52166891
]
] | [
59,
13,
13,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003476727> | Immm | Al-Pd-Pr | 0.066872 | null | null | 0.000026 | 6,530.629934 | 130.346588 |
[
[
-1.213076327004158e-16,
1.981103985,
2.2250535247499412
],
[
1.981103985,
0,
6.87894595525006
],
[
-1.213076327004158e-16,
1.981103985,
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],
[
0,
0,
4.55199974
],
[
1.981103985,
0,
1.0236498778514185
],
[
1.9811039... | [
[
3.96220797,
0,
2.426152654008316e-16
],
[
-2.426152654008316e-16,
3.96220797,
2.426152654008316e-16
],
[
0,
0,
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]
] | [
62,
62,
27,
27,
27,
27,
15,
15,
15,
15
] | [
1,
1,
1
] | alex<agm002304985> | P4/nmm | Co-P-Sm | 0.032478 | null | null | 0.000854 | 3,332.448685 | 149.189255 |
[
[
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],
[
0.34860532615350753,
0.627799510447533,
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],
[
-2.2928823854551843,
-1.0076921739859837,
-5.350847128408833
],
[
2.292882385455184,
1.0076921739859837,
-2.866075701591165... | [
[
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],
[
5.538587708134412,
0,
-1.002013464095344
],
[
-2.610570312933461,
-4.701347459409721,
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]
] | [
59,
59,
13,
13,
13,
13,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003366194> | Fmmm | Al-Pd-Pr | 0.072162 | null | null | 0.000284 | 5,682.488631 | 100.506729 |
[
[
1.3253361035153068,
2.5705194954655934,
2.8726079720208033
],
[
4.275817784895389,
2.643066122249246,
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],
[
2.0367348505982092,
0,
0.6526978879374158
],
[
2.758955843039822,
4.421603955344802,
5.407318335257982
],
[
2.84219804537... | [
[
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0,
1.3053957758748316
],
[
1.527684187214277,
5.213585617714839,
2.2411835378235776
],
[
0,
0,
7.0083012
]
] | [
59,
59,
13,
13,
13,
46,
46
] | [
1,
1,
1
] | alex<agm003311544> | C2/m | Al-Pd-Pr | 0.030787 | null | null | 0.000379 | 4,616.560866 | 78.764526 |
[
[
2.8685688221730925,
3.8544517284695994,
6.230235547187408
],
[
3.6797291868060964,
1.5924957170942131,
3.253935160027854
],
[
2.0574084575400886,
6.116407739844986,
9.206535934346963
],
[
2.1254071503887553,
0,
0.5792580764910382
],
[
1.154142739... | [
[
4.2508143007775105,
0,
1.1585161529820764
],
[
1.4863233435686742,
7.708903456939199,
2.92417711139274
],
[
0,
0,
8.37777783
]
] | [
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59,
59,
13,
13,
13,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003376796> | Immm | Al-Pd-Pr | 0.083618 | null | null | 0.00008 | 6,053.20952 | 100.720154 |
[
[
0,
0,
0
],
[
2.142360605,
0,
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],
[
-1.3118175287663185e-16,
2.142360605,
5.662118648494078
],
[
2.142360605,
2.142360605,
1.2619492338901863
],
[
2.142360605,
2.142360605,
7.218961356109815
],
[
-1.311817528766318... | [
[
4.28472121,
0,
2.623635057532637e-16
],
[
-2.623635057532637e-16,
4.28472121,
2.623635057532637e-16
],
[
0,
0,
8.48091059
]
] | [
59,
13,
13,
13,
13,
13,
13,
46
] | [
1,
1,
1
] | alex<agm002196548> | P4/mmm | Al-Pd-Pr | 0 | null | null | -0.00012 | 3,543.507152 | 82.325615 |
[
[
2.301086414685241,
4.333759187700765,
6.022410208543626
],
[
-2.2672519450323216e-8,
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13.787549953543625
],
[
2.301086414685241,
4.333759187700765,
1.742729536456376
],
[
-2.2672519450323216e-8,
0.8757303510843328,
9.507869281456376
... | [
[
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0,
2.818018082075038e-16
],
[
-2.301086387987278,
5.209489538785098,
3.4872223392437777e-16
],
[
0,
0,
15.53027949
]
] | [
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59,
59,
59,
59,
59,
13,
13,
13,
13,
13,
13,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003331656> | Cmcm | Al-Pd-Pr | 0.036032 | null | null | 0.000374 | 4,318.315547 | 74.621109 |
[
[
-0.8810361473002862,
2.484476732091554,
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[
-3.580618337333641,
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],
[
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0,
0
],
[
-3.0177094824993773,
0.17405563289586923,
-2.293426648915466
],
[
-1.44394500213455,
-0.174055632895... | [
[
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0,
1.2110560720219237
],
[
-0.8416138228270249,
6.663184271024867,
-3.100591437254382
],
[
0.8416138228270249,
-6.663184271024867,
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]
] | [
65,
65,
65,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-1206191 | Immm | Ag-Sn-Tb | 0.001863 | 0 | null | -0.000087 | 2,054.684827 | 59.300804 |
[
[
0,
0,
0
],
[
-1.4343457831580148e-16,
2.34246443,
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],
[
2.200913865,
2.34246443,
2.7820168431436545e-16
],
[
2.200913865,
0,
2.34246443
]
] | [
[
4.40182773,
0,
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],
[
-2.8686915663160295e-16,
4.68492886,
2.8686915663160295e-16
],
[
0,
0,
4.68492886
]
] | [
65,
47,
50,
50
] | [
1,
1,
1
] | mp-1217615 | P4/mmm | Ag-Sn-Tb | 0.010569 | 0 | null | null | 2,030.005074 | 59.00153 |
[
[
1.7692850000000002,
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[
0,
0,
0
],
[
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1.3934141997760225,
2.41346419
]
] | [
[
3.53857,
0,
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],
[
-2.5596603594632644e-16,
4.180242599328067,
2.413464190000001
],
[
2.5596603594632644e-16,
-4.180242599328067,
2.413464189999999
]
] | [
65,
47,
50
] | [
1,
1,
1
] | mp-1217616 | P-6m2 | Ag-Sn-Tb | 0.062476 | 0 | null | 0 | 2,162.418647 | 61.259846 |
[
[
0,
0,
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[
0,
0,
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],
[
-2.376004835,
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],
[
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-1.3717870310831026,
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],
[
-2.3760048350000003,
-1.3717870310831026,
-4.1157436590600005... | [
[
-2.3760048350000003,
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],
[
-2.3760048349999994,
4.115361093249307,
2.909766715941385e-16
],
[
0,
0,
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]
] | [
65,
65,
47,
47,
50,
50
] | [
1,
1,
1
] | mp-31422 | P6_3mc | Ag-Sn-Tb | 0 | 0 | null | -0 | 2,162.418647 | 51.540928 |
[
[
-1.5262988587193262,
0,
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[
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0,
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[
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],
[
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-3.094781519796268,
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],
[
-6.637397530558546... | [
[
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0,
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],
[
-3.0525977159028854,
-6.189563039592536,
-1.7306033164144916
],
[
-6.105195434877305,
0,
3.6538500248177934
]
] | [
19,
19,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | mp-10165 | I4/mcm | Al-K-Te | 0.008274 | 1.7037 | 16.392773 | 0 | 4,852.372017 | 15.776475 |
[
[
4.440892098500626e-16,
5.858896683394007,
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],
[
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[
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0,
0
]
] | [
[
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[
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3.9059311222626705,
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],
[
-2.761910383399516,
3.9059311222626705,
0
]
] | [
65,
47,
50
] | [
1,
1,
1
] | alex<agm002194881> | F-43m | Ag-Sn-Tb | 0.064037 | null | null | -0.000037 | 2,162.418647 | 56.175537 |
[
[
2.8060152821407502,
3.4497656544285284,
5.568100661391437
],
[
1.8030797060614443,
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],
[
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],
[
3.0754250461597556,
0.16383348875576614,
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],
... | [
[
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0,
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],
[
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5.445902256255645,
1.6783155649095542
],
[
0,
0,
6.00233406
]
] | [
65,
65,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003604596> | Imm2 | Ag-Sn-Tb | 0.064988 | null | null | -0.000001 | 2,162.418647 | 64.016815 |
[
[
0,
0,
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[
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],
[
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[
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[
-2.374034295,
-1.3706493392836538,
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],
[
-2.3... | [
[
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],
[
-2.3740342949999995,
4.111948017850961,
2.9073535004377933e-16
],
[
0,
0,
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]
] | [
65,
65,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002326719> | P-6m2 | Ag-Sn-Tb | 0.057495 | null | null | -0.000028 | 2,162.418647 | 57.855858 |
[
[
-1.5519446994719947e-16,
2.534518035,
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],
[
0,
0,
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[
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],
[
2.017674765,
0,
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]
] | [
[
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],
[
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5.06903607,
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],
[
0,
0,
5.06903607
]
] | [
65,
65,
47,
50
] | [
1,
1,
1
] | alex<agm001195950> | P4/mmm | Ag-Sn-Tb | 0.079281 | null | null | 0.000016 | 2,436.109931 | 64.068222 |
[
[
-4.476652228787766e-16,
3.216144232981722,
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],
[
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[
0,
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0
],
[
2.220446049250313e-16,
6.432288465963444,
1.6933056667944867e-15
]
] | [
[
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[
1.5161049309435888,
4.2881923106422954,
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],
[
-3.032209861887177,
4.2881923106422954,
0
]
] | [
65,
65,
47,
50
] | [
1,
1,
1
] | alex<agm002133093> | Fm-3m | Ag-Sn-Tb | 0.062972 | null | null | 0.004531 | 2,436.109931 | 59.303505 |
[
[
1.15456474,
1.2220357543331744,
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],
[
3.46369422,
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[
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[
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[
3.4636942200000003,
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[
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] | [
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65,
65,
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47,
47,
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50
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1,
1
] | alex<agm003629185> | P2_1/m | Ag-Sn-Tb | 0.060334 | null | null | 0.001368 | 2,436.109931 | 54.990501 |
[
[
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[
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[
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[
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] | [
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47,
47,
50
] | [
1,
1,
1
] | alex<agm002132824> | Fm-3m | Ag-Sn-Tb | 0.074925 | null | null | 0 | 1,995.727451 | 64.471153 |
[
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[
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[
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[
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47,
47,
50
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1,
1
] | alex<agm003635248> | I4/mmm | Ag-Sn-Tb | 0.076837 | null | null | -0 | 1,995.727451 | 64.704063 |
[
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50
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1,
1,
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] | alex<agm003404442> | C2/c | Ag-Sn-Tb | 0.090601 | null | null | 0.000461 | 2,264.771881 | 52.649998 |
[
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[
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47,
47,
47,
50,
50
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1,
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] | alex<agm003427950> | Fmmm | Ag-Sn-Tb | 0.072137 | null | null | 0 | 2,142.059905 | 65.444824 |
[
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[
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2.2860666321597027... | [
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19,
13,
13,
52,
52,
52,
52
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1,
1,
1
] | alex<agm002329390> | I-42d | Al-K-Te | 0.030033 | null | null | -0.000008 | 4,852.372017 | 22.533888 |
[
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[... | [
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50
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[
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[
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[
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4.... | [
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] | [
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47,
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50
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1,
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] | alex<agm002247450> | I4/mmm | Ag-Sn-Tb | 0.093554 | null | null | -0 | 1,918.978217 | 41.199753 |
[
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[
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[
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1.85896... | [
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] | [
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65,
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65,
47,
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50
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1,
1
] | alex<agm003642315> | P4/mmm | Ag-Sn-Tb | 0.033605 | null | null | 0.000257 | 2,422.157729 | 53.479588 |
[
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[
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[
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... | [
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] | [
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12,
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29,
29,
29
] | [
1,
1,
1
] | mp-1205577 | P4/mbm | Cu-Mg-Pr | 0 | 0 | null | 0 | 2,484.735383 | 63.051144 |
[
[
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[
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59,
12,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003694207> | Im-3 | Cu-Mg-Pr | 0.06233 | null | null | 0 | 2,778.872724 | 48.475662 |
[
[
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[
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[
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] | [
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59,
12,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003506528> | P-3m1 | Cu-Mg-Pr | 0.099464 | null | null | -0.000046 | 2,120.601944 | 80.169907 |
[
[
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[
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[
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] | [
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59,
59,
59,
59,
59,
59,
59,
12,
12,
29
] | [
1,
1,
1
] | alex<agm003529499> | C2/m | Cu-Mg-Pr | 0.098757 | null | null | 0.000044 | 2,915.994485 | 38.089252 |
[
[
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[
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[
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[
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[
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[
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] | [
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59,
59,
12,
12,
12,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002160535> | P-62m | Cu-Mg-Pr | 0.026824 | null | null | 0.000333 | 2,379.298947 | 57.052567 |
[
[
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[
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[
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[
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[
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[
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] | [
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12,
12,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003538256> | R-3m | Cu-Mg-Pr | 0.019376 | null | null | 0.000163 | 1,732.249658 | 97.741966 |
[
[
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[
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[
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[
1.11... | [
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[
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[
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] | [
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59,
12,
12,
12,
12,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003620134> | Pnma | Cu-Mg-Pr | 0.030231 | null | null | 0 | 2,188.142457 | 63.517986 |
[
[
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[
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[
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1.9543... | [
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[
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] | [
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49,
15,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003491277> | P-62m | In-P-Pd | 0.044208 | null | null | -0.000054 | 6,367.710678 | 130.402542 |
[
[
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[
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] | [
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13,
52,
52
] | [
1,
1,
1
] | alex<agm003163666> | Amm2 | Al-K-Te | 0.087912 | null | null | 0 | 4,852.372017 | 21.499741 |
[
[
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[
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[
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[
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0
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] | [
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12,
29,
29
] | [
1,
1,
1
] | alex<agm002343201> | Fm-3m | Cu-Mg-Pr | 0.02761 | null | null | 0.000377 | 2,188.142457 | 65.874176 |
[
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[
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[
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[
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0,
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] | [
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12,
29,
29
] | [
1,
1,
1
] | alex<agm002343200> | R-3m | Cu-Mg-Pr | 0.022005 | null | null | 0.000362 | 2,188.142457 | 74.154732 |
[
[
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[
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[
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-1.325585773... | [
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[
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[
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] | [
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59,
12,
12,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002160469> | P6_3/mmc | Cu-Mg-Pr | 0.012986 | null | null | 0.000194 | 2,188.142457 | 72.276779 |
[
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[
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[
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[
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[
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4.081946956282909,
0
]
] | [
59,
12,
12,
29
] | [
1,
1,
1
] | alex<agm005112529> | F-43m | Cu-Mg-Pr | 0.095113 | null | null | 0.000001 | 2,198.80538 | 54.147415 |
[
[
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0.5617831636746141,
2.0308729575
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[
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4.580205264533269,
6.092618872500001
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[
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3.617712927115142
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[
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1.5472662766733263,
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],
... | [
[
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0,
2.70461696413492e-16
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[
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[
0,
0,
8.12349183
]
] | [
59,
59,
12,
12,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm002219821> | Cmcm | Cu-Mg-Pr | 0.02227 | null | null | 0.000177 | 2,198.80538 | 50.739937 |
[
[
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0
],
[
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[
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[
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2.9752921939671464,
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[
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5.370769230114572,
... | [
[
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[
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[
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0,
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]
] | [
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12,
12,
12,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm003475880> | Immm | Cu-Mg-Pr | 0.077019 | null | null | -0 | 1,766.805297 | 50.736343 |
[
[
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[
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[
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[
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-2.2067494275818476,
-5.64737725089667... | [
[
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[
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0,
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[
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0,
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] | [
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12,
12,
12,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003585729> | R3m | Cu-Mg-Pr | 0.032146 | null | null | 0.000548 | 1,711.214643 | 89.551987 |
[
[
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[
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[
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[
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[
2.190205153332569,
1.792218254112... | [
[
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[
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],
[
0,
0,
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]
] | [
59,
59,
12,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm003310377> | C2/m | Cu-Mg-Pr | 0.053005 | null | null | 0.000097 | 2,284.499763 | 48.385342 |
[
[
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[
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],
[
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[
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0,
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[
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[
-1.... | [
[
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0,
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[
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[
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2.884352484999999
]
] | [
59,
12,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm002343546> | P6/mmm | Cu-Mg-Pr | 0.074761 | null | null | -0 | 1,947.435274 | 56.560562 |
[
[
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[
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[
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[
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... | [
[
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0,
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[
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[
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0,
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] | [
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19,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002368064> | C2/c | Al-K-Te | 0.006245 | null | null | -0.000004 | 4,852.372017 | 15.073474 |
[
[
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[
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[
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[
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-2.7211479115734165,
0.75751032231069... | [
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0,
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[
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[
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0,
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] | [
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59,
12,
12,
12,
12,
12,
12,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003425859> | C2/m | Cu-Mg-Pr | 0.096662 | null | null | -0 | 1,947.435274 | 50.065086 |
[
[
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[
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[
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[
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] | [
[
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0,
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[
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3.72436828,
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],
[
0,
0,
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]
] | [
59,
59,
12,
29
] | [
1,
1,
1
] | alex<agm001130290> | P4/mmm | Cu-Mg-Pr | 0.072755 | null | null | 0.004153 | 2,654.012362 | 59.5354 |
[
[
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[
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[
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[
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... | [
[
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[
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[
0,
0,
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]
] | [
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59,
59,
59,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm003621845> | Cmcm | Cu-Mg-Pr | 0.096699 | null | null | 0.000525 | 2,654.012362 | 54.246403 |
[
[
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[
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[
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],
[
-0.7590065527013972,
-0.6756647038651927,
-0.86585902110354... | [
[
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[
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0,
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[
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] | [
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003301735> | R-3m | Cu-Mg-Pr | 0.045315 | null | null | 0.000013 | 1,813.407358 | 97.595993 |
[
[
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[
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[
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],
[
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1.77038632460... | [
[
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0,
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[
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],
[
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0,
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]
] | [
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59,
59,
12,
12,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003342851> | C2/m | Cu-Mg-Pr | 0.052205 | null | null | 0 | 2,365.240598 | 60.087997 |
[
[
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[
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[
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[
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[
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3.243574618435181,
... | [
[
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[
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],
[
0,
0,
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]
] | [
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59,
59,
12,
29,
29
] | [
1,
1,
1
] | alex<agm003422540> | Cmmm | Cu-Mg-Pr | 0.080056 | null | null | 0.000322 | 2,635.741268 | 64.63282 |
[
[
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[
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[
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[
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[
1.9177507299999998,
1.91775... | [
[
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0,
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[
-2.3485672930570003e-16,
3.83550146,
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[
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0,
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] | [
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59,
59,
59,
59,
12,
12,
12,
12,
29
] | [
1,
1,
1
] | alex<agm003642963> | P4/mmm | Cu-Mg-Pr | 0.060374 | null | null | -0.000002 | 2,690.380378 | 49.574001 |
[
[
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[
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[
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0,
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[
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[
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0,
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[
1.78181051316... | [
[
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0,
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[
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[
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0,
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] | [
59,
12,
12,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm003456610> | Cmmm | Cu-Mg-Pr | 0.0808 | null | null | 0 | 1,851.109914 | 51.493927 |
[
[
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[
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[
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[
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[
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[
2.139673... | [
[
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[
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7.61341308,
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],
[
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0,
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] | [
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59,
12,
12,
12,
12,
12,
12,
12,
12,
29,
29
] | [
1,
1,
1
] | alex<agm003748385> | Pmma | Cu-Mg-Pr | 0.064183 | null | null | 0.000498 | 1,925.069409 | 46.052971 |
[
[
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[
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[
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[
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[
1... | [
[
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0,
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[
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[
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] | [
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39,
39,
39,
26,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1205522 | C2/m | Fe-Si-Y | 0.012752 | 0 | null | null | 2,058.686661 | 98.585854 |
[
[
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[
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[
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[
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[
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0,
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[
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] | [
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19,
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13,
13,
13,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003450036> | C2 | Al-K-Te | 0.078011 | null | null | 0.000015 | 4,700.269055 | 13.40922 |
[
[
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[
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[
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[
2.0406... | [
[
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[
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[
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] | [
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26,
26,
26,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1207786 | Cmcm | Fe-Si-Y | 0.023995 | 0 | null | -0.000029 | 2,018.93389 | 100.833626 |
[
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[
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[
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[
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-2.09051673952308... | [
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[
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0,
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] | [
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26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
14,
14
] | [
1,
1,
1
] | mp-1216179 | Immm | Fe-Si-Y | 0.015276 | 0 | null | 0.1237 | 1,519.709177 | 177.586761 |
[
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[
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[
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[
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1.3384709405228692,
... | [
[
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[
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] | [
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26,
26,
14,
14
] | [
1,
1,
1
] | mp-5288 | I4/mmm | Fe-Si-Y | 0 | 0 | 139.729106 | null | 1,727.996468 | 142.209641 |
[
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[
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[
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-2.3291442689278... | [
[
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[
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[
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0,
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] | [
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26,
26,
26,
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14,
14,
14
] | [
1,
1,
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] | alex<agm003365375> | Fmmm | Fe-Si-Y | 0.081454 | null | null | 0.025504 | 1,695.826381 | 138.860626 |
[
[
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[
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],
[
2.02723177,
0,
1.1638329781336558
],
[
-1.2413214491301617e-16,
... | [
[
4.05446354,
0,
2.4826428982603234e-16
],
[
-2.4826428982603234e-16,
4.05446354,
2.4826428982603234e-16
],
[
0,
0,
6.50725651
]
] | [
39,
39,
26,
26,
14,
14
] | [
1,
1,
1
] | alex<agm002187558> | P4/nmm | Fe-Si-Y | 0 | null | null | -0.000006 | 1,952.272829 | 122.995659 |
[
[
1.0539874049999998,
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],
[
3.161962215,
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],
[
1.0539874049999995,
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4.767770681050665
],
[
3.161962215,
3.573599016966804,
1.307945321050666
],
[
3.161962... | [
[
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0,
2.58152460374975e-16
],
[
-4.2338354000348005e-16,
6.91437793,
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],
[
0,
0,
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]
] | [
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39,
39,
39,
26,
26,
26,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002187559> | Pnma | Fe-Si-Y | 0.082456 | null | null | 0.004803 | 1,952.272829 | 125.796753 |
[
[
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0,
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[
0,
0,
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],
[
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],
[
1.9978757913241084e-8,
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]
] | [
[
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0,
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],
[
-1.9483773541531084,
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-1.3894959180949602
],
[
0,
0,
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]
] | [
39,
26,
14,
14
] | [
1,
1,
1
] | alex<agm003178313> | R-3m | Fe-Si-Y | 0.064112 | null | null | 0.000252 | 1,819.161082 | 132.438797 |
[
[
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[
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[
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],
[
2.967122745,
1.5993063836860908,
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],
[
2.967122... | [
[
3.95616366,
0,
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],
[
-2.5528884893215056e-16,
4.169183296112685,
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],
[
0,
0,
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]
] | [
39,
39,
26,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240207> | P2_1/m | Fe-Si-Y | 0 | null | null | -0.000443 | 1,819.161082 | 121.652596 |
[
[
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[
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[
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[
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[
0... | [
[
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0,
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],
[
-4.1467064951656437e-16,
6.77208563,
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],
[
0,
0,
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]
] | [
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39,
39,
39,
26,
26,
26,
26,
14,
14,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003619855> | Pnma | Fe-Si-Y | 0.030509 | null | null | -0.000046 | 1,819.161082 | 123.411415 |
[
[
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0,
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[
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[
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0,
2.4521780701943645
],
[
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2.027449755,
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]
] | [
[
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0,
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],
[
-2.482909852892836e-16,
4.05489951,
2.482909852892836e-16
],
[
0,
0,
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]
] | [
39,
39,
26,
14
] | [
1,
1,
1
] | alex<agm004212686> | Amm2 | Fe-Si-Y | 0.082346 | null | null | 0.021666 | 2,172.286013 | 83.301964 |
[
[
1.6761523221141834,
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[
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[
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1.418527245361544
],
[
0.5595548153896395,
6.626163571636225,
10.755760974638456
],
[
... | [
[
6.52080979,
0,
3.9928444185861126e-16
],
[
-2.2331950134490883,
9.72892425675625,
6.112175465756635e-16
],
[
0,
0,
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]
] | [
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19,
19,
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13,
13,
13,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003723349> | P2_1/c | Al-K-Te | 0.029137 | null | null | -0.000009 | 4,865.910898 | 11.409265 |
[
[
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0,
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[
1.4502464554221424,
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],
[
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2.511900545401522,
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],
[
-4.3077461154095795,
0,
-4.629856375461772
],
[
-0.7466198538557149,
... | [
[
-2.9004929127732666,
-5.023801090803043,
-2.050958207575998
],
[
-2.9004929108442843,
5.023801090803043,
-2.0509582062120013
],
[
5.800985823617551,
0,
-2.0509582062120013
]
] | [
39,
39,
39,
26,
26,
26,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003382004> | I-43m | Fe-Si-Y | 0.060317 | null | null | -0.000002 | 1,856.683596 | 106.084557 |
[
[
1.3558596936659035,
1.5775261396561162,
3.4976055161949895
],
[
3.0273243053596453,
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2.1843116228219426
],
[
2.4251877433661027,
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0.6310268912884325
],
[
0.8143715787428732,
-1.258103075018383,
2.100770909526476
]... | [
[
0.5697516961318543,
-3.748329739050279,
1.4697440182380435
],
[
3.791384025378313,
0,
-1.4697440182380435
],
[
-0.5697516961318543,
3.748329739050279,
4.155296841761957
]
] | [
39,
26,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240906> | I4mm | Fe-Si-Y | 0.020283 | null | null | -0.00002 | 1,718.699029 | 113.035973 |
[
[
2.6136856036281517,
2.00281162,
3.1484388903125033
],
[
1.2864393759857253,
2.00281162,
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],
[
3.480806630545673,
0,
7.743201977610926
],
[
0.4193183490682048,
0,
2.221914089781262
],
[
2.174280401876192,
0,
0.82008714738... | [
[
3.9001249796138775,
0,
-0.7360293426078118
],
[
-2.4527368397281255e-16,
4.00562324,
2.4527368397281255e-16
],
[
0,
0,
10.70114541
]
] | [
39,
39,
26,
26,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002186774> | Cmmm | Fe-Si-Y | 0.068208 | null | null | 0.000389 | 1,718.699029 | 115.794525 |
[
[
3.8803127025,
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[
1.2934375674999998,
1.9392425807056646,
1.5018646559181326
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[
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],
[
-6.978927189393265e-17,
1.1397453035850444,
4.408842510793921
],
[
-2... | [
[
5.17375027,
0,
3.168008353871627e-16
],
[
-3.486278704785875e-16,
5.693525197980606,
-1.4711040207226946
],
[
0,
0,
5.88050816
]
] | [
39,
39,
26,
26,
26,
26,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003434927> | Cmcm | Fe-Si-Y | 0.065035 | null | null | 0.00023 | 1,656.218423 | 149.867538 |
[
[
0,
0,
0
],
[
1.871709555,
-2.219217792690037,
1.2812659900000003
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[
1.8717095549999998,
-1.9770654083983295e-16,
2.56253198
],
[
1.8717095549999996,
2.2192177926900367,
1.281265990000001
],
[
3.74341911,
1.4794785284600245,
2.56253198
... | [
[
3.74341911,
0,
2.292183115464267e-16
],
[
-2.7177579664287084e-16,
4.438435585380074,
2.562531980000001
],
[
2.7177579664287084e-16,
-4.438435585380074,
2.5625319799999993
]
] | [
39,
26,
26,
26,
14,
14
] | [
1,
1,
1
] | alex<agm002186153> | P6/mmm | Fe-Si-Y | 0.030335 | null | null | 0.042976 | 1,669.403159 | 146.268936 |
[
[
0,
0,
-3.273497805
],
[
0,
0,
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],
[
0,
0,
-6.54699561
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[
0,
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0
],
[
-1.976313,
1.141024842552957,
-7.4286641888289715
],
[
-1.976313,
-1.1410248425529563,
-0.8816685788289748
],
[
-1.976313,
1.1... | [
[
-1.9763130000000004,
-3.423074527658871,
-4.840570779126606e-16
],
[
-1.9763129999999995,
3.423074527658871,
2.420285389563303e-16
],
[
0,
0,
-13.09399122
]
] | [
39,
39,
26,
26,
26,
26,
26,
26,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002356349> | P6_3/mmc | Fe-Si-Y | 0.010871 | null | null | 0.045362 | 1,669.403159 | 156.618942 |
[
[
3.5046828819766818,
2.455328952256511,
3.143987292730799e-10
],
[
2.575155443158494,
-3.675720596708446,
-0.3623265455440598
],
[
4.388589993921628,
-1.2349373078045767,
-3.465303894934192
],
[
2.03965968688012,
4.546471041243259,
-1.5372265538208987
]... | [
[
1.7845157610562237,
4.910657904513022,
2.9433869636383236
],
[
3.4403342418409166,
-4.910657904513022,
0.11010729335214975
],
[
0,
0,
-5.99688122
]
] | [
39,
26,
26,
26,
26,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002356864> | I-42m | Fe-Si-Y | 0.087183 | null | null | 0.006527 | 1,481.701152 | 145.504333 |
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