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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1.84... | [
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[
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[
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48,
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29,
29
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1,
1,
1
] | alex<agm002147087> | P-62m | Cd-Cu-Y | 0 | null | null | -0.000009 | 1,784.351826 | 74.606552 |
[
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[
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5.7... | [
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[
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48,
29,
29,
29,
29,
29,
29
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1,
1,
1
] | alex<agm001016876> | Pmma | Cd-Cu-Y | 0.004894 | null | null | 0.000138 | 1,784.351826 | 70.596977 |
[
[
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[
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2.3037682
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[
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[
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] | [
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48,
29
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1,
1,
1
] | alex<agm003160344> | P-6m2 | Cd-Cu-Y | 0.081405 | null | null | -0.000024 | 1,784.351826 | 75.220955 |
[
[
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[
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] | [
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39,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm003606889> | C2/m | Cd-Cu-Y | 0.039013 | null | null | 0.000669 | 1,784.351826 | 67.260155 |
[
[
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[
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[
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[
3.085... | [
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[
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[
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39,
39,
39,
48,
48,
48,
48,
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29,
29,
29
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1,
1,
1
] | alex<agm002335556> | Pnma | Cd-Cu-Y | 0.032748 | null | null | 0 | 1,784.351826 | 66.992767 |
[
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[
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15.672338744339019
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[
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[
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39,
39,
39,
39,
48,
29,
29,
29,
29
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1,
1,
1
] | alex<agm003639814> | P4/mmm | Cd-Cu-Y | 0.019606 | null | null | -0 | 2,075.127639 | 62.523537 |
[
[
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[
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[
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] | [
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48,
29,
29,
29,
29
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1,
1,
1
] | alex<agm002146260> | F-43m | Cd-Cu-Y | 0 | null | null | -0 | 1,665.343786 | 96.996475 |
[
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[
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[
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[
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[
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[
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48,
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48,
29,
29,
29,
29,
29,
29,
29,
29
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1,
1,
1
] | alex<agm003585155> | P3m1 | Cd-Cu-Y | 0.023627 | null | null | 0.000374 | 1,532.476846 | 99.561867 |
[
[
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[
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[
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29,
29,
29,
29,
29,
29
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1,
1,
1
] | alex<agm003301093> | R-3m | Cd-Cu-Y | 0.055557 | null | null | -0.000079 | 1,611.097387 | 101.171021 |
[
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[
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[
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[
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[
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] | [
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39,
39,
48,
29,
29
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1,
1,
1
] | alex<agm002334908> | P4/mmm | Cd-Cu-Y | 0.022259 | null | null | 0 | 2,035.156277 | 61.615234 |
[
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[
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[
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[
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[
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] | [
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48,
48,
29,
29,
29,
29,
29,
29,
29,
29,
29
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1,
1,
1
] | alex<agm003537521> | R-3m | Cd-Cu-Y | 0.011034 | null | null | -0.000001 | 1,559.65395 | 107.19381 |
[
[
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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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[
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52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | mp-1189272 | P2_1/c | Al-Cs-Te | 0.00768 | 1.3209 | null | null | 4,975.491024 | 7.315018 |
[
[
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[
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13,
13,
13,
13,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003035109> | Pna2_1 | Al-Cs-Te | 0.081402 | null | null | -0 | 4,998.697375 | 16.802771 |
[
[
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] | [
55,
55,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002329588> | C2/c | Al-Cs-Te | 0 | null | null | -0 | 4,998.697375 | 8.654825 |
[
[
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[
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[
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[
1.2606923986600054,
-0.783280243983... | [
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[
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] | [
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55,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002788670> | I-42d | Al-Cs-Te | 0.060669 | null | null | -0 | 4,998.697375 | 19.179316 |
[
[
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[
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[
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[
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[
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] | [
55,
55,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003035088> | Ama2 | Al-Cs-Te | 0.020384 | null | null | -0.000013 | 4,998.697375 | 10.69726 |
[
[
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[
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[
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[
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] | [
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] | [
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67,
29,
47
] | [
1,
1,
1
] | alex<agm001089856> | Fm-3m | Ag-Cu-Ho | 0.032522 | null | null | 0.000002 | 2,531.350794 | 59.019363 |
[
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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,
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] | [
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55,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002135940> | I4/mcm | Al-Cs-Te | 0.053794 | null | null | 0.000046 | 4,998.697375 | 12.170844 |
[
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[... | [
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[
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] | [
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55,
13,
13,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003035083> | C2 | Al-Cs-Te | 0.018298 | null | null | -0 | 4,998.697375 | 9.82679 |
[
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[
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[
1.6921... | [
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[
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] | [
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13,
13,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002252818> | Cmcm | Al-Cs-Te | 0.084776 | null | null | -0 | 5,177.036837 | 12.220884 |
[
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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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] | [
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9,
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9
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1,
1,
1
] | mp-1206084 | Fm-3m | Cs-F-Pr | 0.043906 | 5.5517 | null | null | 4,590.011119 | 12.258799 |
[
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[
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[
4.509228280389195,
-4.304988170151091e-... | [
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[
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] | [
55,
55,
55,
59,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002149445> | I4/mmm | Cs-F-Pr | 0.069687 | null | null | 0.000018 | 4,590.011119 | 19.217648 |
[
[
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4.396577151239308,
10.757856513297058
],
[
2.1167538092475655,
1.474866322501448,
3.39287341462876
],
[
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[
0,
0,
0
],
[
2.4873001887384354,
4.1386896146948855,
... | [
[
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0,
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[
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[
0,
0,
7.24459088
]
] | [
55,
55,
55,
59,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002269661> | C2/m | Cs-F-Pr | 0 | null | null | 0.000017 | 4,590.011119 | 17.019156 |
[
[
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[
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[
0,
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0
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[
1.9542875,
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[
1.9542875,
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],
[
... | [
[
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0,
2.393311931488683e-16
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[
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3.6816534100000013
],
[
3.9046704442131176e-16,
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3.6816534099999987
]
] | [
55,
55,
59,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1207345 | P-62m | Cs-F-Pr | 0.027535 | 0 | null | 0.005439 | 4,230.126387 | 24.213703 |
[
[
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[
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[
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0
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[
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],
[
-1.0026182841927138,
4.117008445... | [
[
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0,
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[
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],
[
0.6922103044517993,
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]
] | [
55,
55,
59,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003488117> | C2/m | Cs-F-Pr | 0.042674 | null | null | 0.004853 | 4,230.126387 | 23.296156 |
[
[
0,
0,
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[
0,
0,
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],
[
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1.760605065,
2.1561193574148676e-16
],
[
1.760605065,
1.760605065,
3.58195311
]
] | [
[
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0,
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[
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3.52121013,
2.1561193574148676e-16
],
[
0,
0,
7.16390622
]
] | [
67,
67,
29,
47
] | [
1,
1,
1
] | alex<agm001129701> | P4/mmm | Ag-Cu-Ho | 0.008342 | null | null | -0.000104 | 2,531.350794 | 53.256454 |
[
[
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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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2.0487248,
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],
[
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0,
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],
[
-1.2544821343269007e-16,
2.0487248... | [
[
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0,
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[
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4.0974496,
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],
[
0,
0,
7.05881185
]
] | [
55,
59,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003749195> | P4/mmm | Cs-F-Pr | 0.007597 | null | null | 0 | 3,854.23375 | 35.851768 |
[
[
0,
0,
0
],
[
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[
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[
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4.090238907998079
],
[
-2.750235887291984e-16,
4.49147605531130... | [
[
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0,
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[
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[
0,
0,
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]
] | [
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59,
59,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002271234> | Cmmm | Cs-F-Pr | 0 | null | null | 0.000008 | 3,415.210292 | 45.597591 |
[
[
2.18874262,
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[
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],
[
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],
[
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1.7463322506929155
... | [
[
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0,
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[
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3.577059790000001
],
[
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]
] | [
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71,
71,
12,
12,
12,
31,
31,
31
] | [
1,
1,
1
] | mp-1205838 | P-62m | Ga-Lu-Mg | 0 | null | null | 0.000001 | 2,554.039666 | 62.567707 |
[
[
0,
0,
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[
0,
0,
0
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[
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[
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[
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1.3495231836073307,
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[
-2.33744272,... | [
[
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[
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4.048569550821993,
2.862541745238283e-16
],
[
0,
0,
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]
] | [
71,
71,
12,
12,
31,
31
] | [
1,
1,
1
] | alex<agm002220553> | P6_3/mmc | Ga-Lu-Mg | 0.068029 | null | null | -0.000071 | 2,554.039666 | 58.696766 |
[
[
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[
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0,
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[
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2.427484345,
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[
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0,
1.197761371746273e-16
]
] | [
[
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0,
2.395522743492546e-16
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[
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4.85496869,
2.9728109330845594e-16
],
[
0,
0,
4.85496869
]
] | [
71,
71,
12,
31
] | [
1,
1,
1
] | alex<agm001214041> | P4/mmm | Ga-Lu-Mg | 0.081983 | null | null | 0.000588 | 2,769.204572 | 59.314999 |
[
[
0,
0,
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[
0,
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[
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3.60546706
],
[
1.80524277,
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]
] | [
[
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0,
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[
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3.61048554,
2.2107847799644016e-16
],
[
0,
0,
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]
] | [
71,
71,
12,
31
] | [
1,
1,
1
] | alex<agm001136922> | P4/mmm | Ga-Lu-Mg | 0.062601 | null | null | -0.000241 | 2,769.204572 | 62.400963 |
[
[
6.661338147750939e-16,
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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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[
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4.134143198531602,
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[
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0
]
] | [
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71,
12,
31
] | [
1,
1,
1
] | alex<agm002220554> | Fm-3m | Ga-Lu-Mg | 0.077214 | null | null | -0.000069 | 2,769.204572 | 62.954475 |
[
[
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[
2.09232817,
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[
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[
2.0923281699999996,
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1.2507906664286157
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[
-2.225390762... | [
[
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0,
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[
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7.26867784,
4.450781525394648e-16
],
[
0,
0,
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]
] | [
71,
71,
71,
71,
12,
12,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002160614> | P4/mbm | Ga-Lu-Mg | 0.000457 | null | null | -0.000001 | 2,651.22653 | 68.185287 |
[
[
0,
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0
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[
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[
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[
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[
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1.5777236894574... | [
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0,
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[
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3.9656902425866205,
5.272175331590317
]
] | [
71,
12,
12,
31,
31
] | [
1,
1,
1
] | alex<agm002343391> | I4/mmm | Ga-Lu-Mg | 0.093183 | null | null | -0.000018 | 2,290.901954 | 52.431705 |
[
[
1.2235847499999997,
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[
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[
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[
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[
3.67075425... | [
[
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0,
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[
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7.402118,
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],
[
0,
0,
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]
] | [
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59,
59,
59,
50,
50,
50,
50,
44,
44,
44,
44
] | [
1,
1,
1
] | mp-21010 | Pnma | Pr-Ru-Sn | 0.02988 | 0 | null | 0.000212 | 3,979.370281 | 100.907883 |
[
[
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[
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[
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],
[
0.6854611769372436,
-3.6211732337529288,
-4.6423783627613... | [
[
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0,
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[
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],
[
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0,
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]
] | [
59,
59,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm002181360> | C2/m | Pr-Ru-Sn | 0.084233 | null | null | 0.000036 | 3,979.370281 | 85.60656 |
[
[
0.5532415807852263,
0.6070298067059241,
1.8188721179549645
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[
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],
[
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],
[
2.8326235234156854,
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],... | [
[
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],
[
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0,
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[
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4.351238577706037,
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]
] | [
59,
59,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm001013644> | I4/mmm | Pr-Ru-Sn | 0 | null | null | 0.000001 | 3,979.370281 | 98.718079 |
[
[
2.1126514750000003,
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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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3.7451108799999986
]
] | [
59,
59,
59,
50,
50,
50,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002310290> | P-62m | Pr-Ru-Sn | 0.07153 | null | null | 0.000005 | 3,979.370281 | 101.597145 |
[
[
4.093279777304268,
3.5180737456828135,
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[
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],
[
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[
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],
[
2.9048639338805002,
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... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
59,
59,
50,
44,
44
] | [
1,
1,
1
] | alex<agm002380275> | Immm | Pr-Ru-Sn | 0.037088 | null | null | 0.000029 | 4,448.046752 | 92.045517 |
[
[
2.2843805449999994,
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[
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[
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],
[
2.284380545,
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],
[
-2.18493... | [
[
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0,
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[
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7.13654258,
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],
[
0,
0,
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]
] | [
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59,
59,
59,
50,
50,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002352747> | P4/mbm | Pr-Ru-Sn | 0.074883 | null | null | 0.000013 | 4,448.046752 | 98.395584 |
[
[
3.784162656594239,
1.4291835284595638,
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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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],
[
0,
0,
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]
] | [
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59,
59,
59,
50,
50,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm003406580> | C2/c | Pr-Ru-Sn | 0 | null | null | 0.000005 | 4,448.046752 | 92.125916 |
[
[
2.013405393649536,
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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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],
[
0,
0,
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]
] | [
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59,
59,
59,
50,
50,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm002352889> | C2/m | Pr-Ru-Sn | 0.045461 | null | null | 0.000269 | 3,324.265374 | 70.488373 |
[
[
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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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67,
67,
67,
67,
67,
29,
29,
47
] | [
1,
1,
1
] | alex<agm003529308> | C2/m | Ag-Cu-Ho | 0.04043 | null | null | 0.000067 | 2,851.207892 | 50.068935 |
[
[
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1.012923654175531
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[
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6.455416491648937
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[
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5.25355555417553
],
[
2.2073841149999995,
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6.74634... | [
[
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0,
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[
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],
[
4.497509189686956e-16,
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4.240631899999999
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] | [
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59,
59,
59,
59,
59,
50,
50,
44
] | [
1,
1,
1
] | alex<agm002352890> | P-62m | Pr-Ru-Sn | 0.02559 | null | null | 0 | 3,217.500449 | 67.718109 |
[
[
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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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0,
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]
] | [
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59,
59,
59,
59,
59,
59,
59,
50,
50,
44
] | [
1,
1,
1
] | alex<agm003527434> | C2/m | Pr-Ru-Sn | 0.060437 | null | null | 0.000261 | 3,194.909013 | 54.533169 |
[
[
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2.26878344,
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],
[
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0,
1.3598280616324259
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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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0,
... | [
[
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[
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],
[
0,
0,
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]
] | [
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59,
59,
59,
50,
50,
50,
44
] | [
1,
1,
1
] | alex<agm003553375> | Pmm2 | Pr-Ru-Sn | 0.074858 | null | null | 0.000332 | 3,061.842837 | 69.248383 |
[
[
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0.7711286062882333,
5.6554308075
],
[
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1.8851436025000006
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[
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7.178751484014997
],
[
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],
... | [
[
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[
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],
[
0,
0,
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]
] | [
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59,
50,
50,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm002352888> | Cmcm | Pr-Ru-Sn | 0 | null | null | 0.000001 | 3,390.182899 | 86.572212 |
[
[
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3.433037445,
6.581991982187451
],
[
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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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],
[
0,
0,
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]
] | [
59,
59,
50,
50,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm002310246> | P2_1/m | Pr-Ru-Sn | 0.076422 | null | null | -0.000001 | 3,390.182899 | 81.655327 |
[
[
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0
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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,
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[
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0,
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]
] | [
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50,
50,
44
] | [
1,
1,
1
] | alex<agm001933846> | R-3m | Pr-Ru-Sn | 0.091008 | null | null | 0.000056 | 3,390.182899 | 89.933594 |
[
[
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[
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[
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2.295634949250807
],
[
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0.0683174709696017,
0.14740513236043107
... | [
[
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[
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0,
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[
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]
] | [
59,
50,
50,
50,
44
] | [
1,
1,
1
] | alex<agm002310738> | I4mm | Pr-Ru-Sn | 0.061891 | null | null | 0.000027 | 3,034.8746 | 68.350105 |
[
[
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[
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[
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[
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2.274581231407352,
0.0013328364501017638
],
[
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3.1842503083... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
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59,
59,
50,
50,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm003338359> | C2/m | Pr-Ru-Sn | 0.022018 | null | null | 0.000498 | 3,353.001049 | 77.512161 |
[
[
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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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59,
59,
59,
59,
59,
59,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm003320086> | Imm2 | Pr-Ru-Sn | 0.088514 | null | null | 0.001266 | 3,544.8769 | 63.272366 |
[
[
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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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[
1.999... | [
[
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0,
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],
[
-2.449002744679909e-16,
3.999525,
2.449002744679909e-16
],
[
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0,
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] | [
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15,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | mp-1025213 | P4/mmm | In-P-Pt | 0 | 0 | null | -0 | 8,262.421516 | 192.615112 |
[
[
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0,
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[
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[
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[
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],
[
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2.14013443476... | [
[
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[
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[
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0,
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] | [
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29,
29,
29,
29,
29,
29,
29,
29,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003587808> | P3m1 | Ag-Cu-Ho | 0.049341 | null | null | 0 | 1,732.247341 | 103.337715 |
[
[
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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,
59,
59,
50,
50,
44,
44
] | [
1,
1,
1
] | alex<agm003713971> | C2/m | Pr-Ru-Sn | 0.052698 | null | null | 0.001001 | 3,593.65999 | 63.208073 |
[
[
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[
0,
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[
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[
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[
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[
-2.88387288,
1.... | [
[
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],
[
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],
[
0,
0,
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] | [
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73,
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73,
73,
73,
45,
45,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1189957 | P6_322 | Rh-S-Ta | 0 | 0 | null | 0.000014 | 4,320.62327 | 73.442581 |
[
[
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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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0,
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]
] | [
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73,
45,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002182918> | C2/m | Rh-S-Ta | 0.00649 | null | null | -0.000159 | 4,188.633988 | 23.193306 |
[
[
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[
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[
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[
-0.8383302664144465,
-3.778709517... | [
[
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0,
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[
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],
[
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] | [
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70,
70,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1205488 | Immm | Cu-Si-Yb | 0.054303 | 0 | null | -0.000001 | 2,374.413705 | 78.533974 |
[
[
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[
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[
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[
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],
[
1.093563962611569,
-3.0097900441... | [
[
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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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70,
70,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002316627> | Immm | Cu-Si-Yb | 0.007599 | null | null | 0 | 2,374.413705 | 74.745041 |
[
[
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0,
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[
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[
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],
[
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0,
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],
[
1.9856896649999998,
1.985689665,
2.431... | [
[
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0,
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],
[
-2.43176849234223e-16,
3.97137933,
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],
[
0,
0,
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]
] | [
70,
70,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002315848> | P4/nmm | Cu-Si-Yb | 0.048802 | null | null | -0 | 2,198.221738 | 92.834709 |
[
[
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[
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[
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[
-2.041355935,
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[
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[
-2.041355935,
1.1785773985840... | [
[
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[
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],
[
0,
0,
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]
] | [
70,
70,
29,
29,
14,
14
] | [
1,
1,
1
] | mp-8124 | P6_3/mmc | Cu-Si-Yb | 0.04435 | 0 | null | 0.006292 | 2,493.009259 | 63.641617 |
[
[
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[
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[
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[
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[
... | [
[
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[
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6.21098594,
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[
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] | [
70,
70,
70,
70,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002317146> | P2_13 | Cu-Si-Yb | 0.096151 | null | null | -0.000001 | 2,493.009259 | 56.057751 |
[
[
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[
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[
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[
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[
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],
[
2.09547459... | [
[
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[
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[
0,
0,
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] | [
70,
70,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002317145> | P4/nmm | Cu-Si-Yb | 0.032872 | null | null | -0.000215 | 2,493.009259 | 64.342323 |
[
[
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[
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[
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[
1.0585636099999995,
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],
... | [
[
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[
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[
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] | [
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70,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002187453> | Pnma | Cu-Si-Yb | 0 | null | null | 0 | 2,493.009259 | 75.030594 |
[
[
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[
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[
0.9805701524999999,
1.3135659193822842,
5.636629366760728
],
[
2.9417104575,
2.645101695776793,
2.447125644363496
],
[
2.9417104575,... | [
[
3.92228061,
0,
2.401704197197114e-16
],
[
-2.423984811896425e-16,
3.958667615159077,
-0.9080703188757757
],
[
0,
0,
8.99182533
]
] | [
70,
70,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240136> | Cmcm | Cu-Si-Yb | 0.016932 | null | null | -0.000028 | 2,349.778144 | 76.537483 |
[
[
-6.053004896673298,
-4.514757445083821,
-6.801354086238465
],
[
-0.7669546015792773,
-1.3166825482937958,
-6.827519186517736
],
[
-1.522238284940441,
-0.06828541371814877,
-2.9918116865177358
],
[
-6.8082885800344615,
-3.2663603105081735,
-2.965646586238... | [
[
-2.4012448539783873,
-4.58304285880197,
-1.0608753863781009
],
[
-5.173998327635352,
0,
-1.0608753863781009
],
[
0,
0,
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]
] | [
70,
70,
70,
70,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002317130> | C2/c | Cu-Si-Yb | 0.007468 | null | null | 0 | 2,576.662693 | 67.342171 |
[
[
-1.0785411324016305,
1.3579030975060442,
-2.5930216721009476
],
[
-2.787419999196737,
-1.357903097506044,
-1.2502342082929412
],
[
-1.6639980243827937,
-1.1475608103209227,
-4.00057346111818
],
[
-2.2019631072155743,
1.1475608103209225,
0.157317580724291... | [
[
-3.8659611315983677,
0,
1.6080073896061116
],
[
-1.0492486128399323,
4.476411673554538,
-2.522596836831891
],
[
1.0492486128399323,
-4.476411673554538,
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]
] | [
70,
70,
29,
29,
14
] | [
1,
1,
1
] | alex<agm002317131> | Immm | Cu-Si-Yb | 0 | null | null | 0 | 2,576.662693 | 58.757687 |
[
[
-2.205688444554679,
-1.5953859579155538,
-3.6071752521967126
],
[
-3.692093594757743,
-2.6705105568867844,
-6.0380370929916145
],
[
-2.2458318103772985,
0,
-1.149780598797082
],
[
0,
0,
-2.523044975
],
[
-0.7030592092789126,
-2.13294825740116... | [
[
-1.4061184185578253,
-4.265896514802338,
-2.299561197594164
],
[
-4.491663620754597,
0,
-2.299561197594164
],
[
0,
0,
-5.04608995
]
] | [
70,
70,
29,
29,
29,
14
] | [
1,
1,
1
] | alex<agm002317133> | R-3m | Cu-Si-Yb | 0.061521 | null | null | 0.000003 | 2,455.527453 | 76.364403 |
[
[
-1.6466770746057557,
1.3495045519461057,
-4.02442461
],
[
0.5533163472359792,
4.05829141009917,
-2.019746558189408
],
[
1.6466770746057562,
-1.3495045519461062,
-4.02442461
],
[
-0.5533163472359788,
-4.05829141009917,
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],
[
1.47... | [
[
-1.0814298274263452,
5.398018207784424,
-2.019746558189408
],
[
5.5052784709966796,
0,
-2.019746558189408
],
[
-4.423848643570334,
-5.398018207784424,
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]
] | [
70,
70,
70,
70,
29,
29,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002240878> | Fmmm | Cu-Si-Yb | 0 | null | null | -0.000055 | 2,535.873411 | 59.451408 |
[
[
-2.0211921650000004,
-1.166935840546713,
-2.3581890700000003
],
[
-2.021192165,
1.1669358405467127,
-7.07456721
],
[
-2.0211921650000004,
-1.166935840546713,
-5.219048967540697
],
[
-2.021192165,
1.1669358405467127,
-4.213707312459302
],
[
-2.021... | [
[
-2.0211921650000004,
-3.5008075216401378,
-4.950493030657918e-16
],
[
-2.0211921649999995,
3.5008075216401378,
2.475246515328959e-16
],
[
0,
0,
-9.43275628
]
] | [
70,
70,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002241640> | P6_3/mmc | Cu-Si-Yb | 0.01984 | null | null | 0 | 2,300.753311 | 93.330299 |
[
[
2.066818065,
0.7092150651879832,
1.6998300436058609e-16
],
[
-2.8047828861903157e-16,
4.580558064812017,
3.0923922950000002
],
[
-1.2248386204917597e-16,
2.0003132680288553,
1.8149520654441584
],
[
2.066818065,
3.289459861971145,
1.277440229555842
],
... | [
[
4.13363613,
0,
2.5311221277221764e-16
],
[
-3.2390518659350884e-16,
5.28977313,
3.2390518659350884e-16
],
[
0,
0,
6.18478459
]
] | [
70,
70,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002356958> | Pmmn | Cu-Si-Yb | 0.031448 | null | null | -0 | 2,300.753311 | 79.331657 |
[
[
0,
0,
0
],
[
0,
0,
7.186887498326813
],
[
0,
0,
3.8069397516731875
],
[
1.769892465,
1.769892465,
5.496913625
],
[
1.769892465,
1.769892465,
9.111896975233835
],
[
1.769892465,
1.769892465,
1.881930274766168
]
] | [
[
3.53978493,
0,
2.167493142097269e-16
],
[
-2.167493142097269e-16,
3.53978493,
2.167493142097269e-16
],
[
0,
0,
10.99382725
]
] | [
67,
67,
67,
29,
47,
47
] | [
1,
1,
1
] | alex<agm003437115> | P4/mmm | Ag-Cu-Ho | 0.008992 | null | null | 0.000158 | 2,494.856477 | 53.157494 |
[
[
0.981778510421551,
1.887713298650364,
1.6126612250000003
],
[
0.9926715442301797,
3.1320832029145427,
4.837983675
],
[
2.957551236113516,
0.9414253861865965,
3.610136445586888
],
[
-0.9831011814617853,
4.078371115378309,
2.8405084544131123
],
[
-... | [
[
3.94402659,
0,
2.415019769597775e-16
],
[
-1.9695765353482693,
5.019796501564906,
3.301870607232837e-16
],
[
0,
0,
6.4506449
]
] | [
70,
70,
29,
29,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002318782> | Cmcm | Cu-Si-Yb | 0.079284 | null | null | -0.000119 | 2,300.753311 | 91.786774 |
[
[
-2.473113891093763,
1.611358046066835,
-0.8861192549357755
],
[
-0.701679508019422,
-0.8867679560223887,
-1.8680225265170274
],
[
-1.379042766282196,
0.6334055022510378,
-3.6460433805871646
],
[
-2.9777490025933773,
-1.3959889367688247,
-2.23894641440733... | [
[
-3.7508112865501935,
0,
1.4052547041423102
],
[
-0.61601858724041,
3.9511083732768033,
-1.644235356718681
],
[
0.61601858724041,
-3.9511083732768033,
-4.04054880328132
]
] | [
70,
29,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002318421> | Imm2 | Cu-Si-Yb | 0.079986 | null | null | 0.000002 | 2,231.622993 | 77.531548 |
[
[
4.16547013640271e-16,
3.0504172622132075,
7.750811692464054e-16
],
[
-1.4379804683501402e-8,
10.670266565831422,
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],
[
1.4321408633255395,
8.644913513351618,
-2.4906551727158464e-8
],
[
-0.7160704532324762,
8.64491351335162,
-1.2402... | [
[
1.437980487706309,
4.067223016284279,
2.4906552650000005
],
[
1.437980487706309,
4.067223016284279,
-2.4906552649999996
],
[
-2.8759609754126174,
4.067223016284279,
0
]
] | [
70,
29,
29,
29,
29,
14
] | [
1,
1,
1
] | alex<agm002355674> | F-43m | Cu-Si-Yb | 0.096517 | null | null | 0 | 2,077.236473 | 104.56562 |
[
[
5.312484685323712,
0.35959898410285945,
1.9441203075000004
],
[
2.609943955323712,
2.4759423408971406,
5.8323609225
],
[
2.7951375046762874,
3.195140309102859,
1.9441203075000004
],
[
0.09259677467628748,
5.31148366589714,
5.8323609225
],
[
-1.73... | [
[
5.40508146,
0,
3.309657854559851e-16
],
[
-3.4725366075112945e-16,
5.67108265,
3.4725366075112945e-16
],
[
0,
0,
7.77648123
]
] | [
64,
64,
64,
64,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-600576 | Pnma | Fe-Gd-O | 0.000357 | 0 | 126.383161 | 0.201368 | 2,258.416152 | 130.250092 |
[
[
6.332077403020341,
2.4732094740979607,
-0.8162417702887316
],
[
-1.6579274150646484,
5.894896289319626,
6.4382191956374655
],
[
2.3826882062088974,
7.228939208037312,
4.639307530739186
],
[
2.2914617817467953,
1.1391665553802748,
0.9826698946095486
],
... | [
[
7.3832501566119095,
0,
-0.8676215924139058
],
[
-2.7091001686562173,
8.368105763417587,
-2.8379405622373604
],
[
0,
0,
9.32753958
]
] | [
65,
65,
65,
65,
65,
65,
77,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-1189524 | P-1 | Br-Ir-Tb | 0 | 0 | null | null | 5,254.275193 | 7.145408 |
[
[
-0.371591153702177,
-0.22431950588360988,
-6.618498481047731
],
[
-1.5677053664011147,
-0.9463812301733012,
-2.043484528893795
],
[
-3.84977408329008,
-2.32400424908743,
-9.394398982557624
],
[
-2.862880471608238,
-1.728243329790644,
-5.1293691777767645
... | [
[
-1.8329959233996302,
-3.481958579372832,
-1.0287752935978207
],
[
-3.9349599240230813,
0,
-1.0287752935978207
],
[
0,
0,
-8.03979659
]
] | [
65,
65,
77,
35
] | [
1,
1,
1
] | alex<agm005104997> | R3m | Br-Ir-Tb | 0.053705 | null | null | 0.000047 | 5,569.503537 | 55.24197 |
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