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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[
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[
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78
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1,
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78
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1,
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78
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[
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78,
78
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1,
1
] | alex<agm003263521> | Pmmn | Cu-Pt | 0.02405 | null | null | -0 | 5,343.800457 | 153.44101 |
[
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78
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1,
1,
1
] | alex<agm003185290> | R-3m | Cu-Pt | 0.077331 | null | null | -0.000052 | 5,343.800457 | 159.651199 |
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[
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78
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1,
1
] | alex<agm003185297> | Pmm2 | Cu-Pt | 0.044487 | null | null | -0.000016 | 5,343.800457 | 150.076233 |
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78
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1,
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] | alex<agm003185299> | Imm2 | Cu-Pt | 0.042421 | null | null | 0.000006 | 5,343.800457 | 152.864914 |
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] | [
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79,
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79
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1,
1,
1
] | alex<agm005416017> | R-3m | Au-La | 0.075765 | null | null | 0 | 1,314.750086 | 88.945686 |
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[
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[
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] | [
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78,
78
] | [
1,
1,
1
] | alex<agm003263519> | P6_3/mmc | Cu-Pt | 0.018572 | null | null | 0.000021 | 5,343.800457 | 153.753174 |
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2.2744413633142... | [
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] | [
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78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | mp-12608 | Fm-3m | Cu-Pt | 0.011923 | 0 | 244.792815 | 0 | 8,762.068357 | 230.7798 |
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] | [
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78
] | [
1,
1,
1
] | mp-644311 | R-3m | Cu-Pt | 0 | 0 | 197.002011 | 0 | 7,232.662104 | 189.087692 |
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78,
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78
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1,
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] | alex<agm003263836> | I4/mmm | Cu-Pt | 0.060252 | null | null | -0.000203 | 7,232.662104 | 183.066971 |
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78
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] | alex<agm003188367> | Cmcm | Cu-Pt | 0.083035 | null | null | 0.000049 | 7,232.662104 | 176.970535 |
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[
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29,
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78,
78,
78,
78
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] | alex<agm003263839> | Pnma | Cu-Pt | 0.082585 | null | null | 0 | 7,232.662104 | 179.53511 |
[
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4.351335477916238
],
[
3.527268981436958,
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... | [
[
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0,
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[
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[
0,
0,
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] | [
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211739> | P2/c | Cu-Pt | 0.055495 | null | null | 0 | 7,232.662104 | 185.509064 |
[
[
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[
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[
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[
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-3.4324512674... | [
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[
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] | [
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003188360> | Imma | Cu-Pt | 0.091943 | null | null | 0 | 7,232.662104 | 183.242722 |
[
[
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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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29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211736> | Cm | Cu-Pt | 0.061398 | null | null | -0.00007 | 7,232.662104 | 189.395203 |
[
[
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0
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[
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[
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[
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[
-5.019835676491163,
-3.3565690065590... | [
[
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[
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[
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0,
3.112976800368314
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] | [
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79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002218171> | I4/mmm | Au-La | 0.03006 | null | null | 0.000018 | 1,314.750086 | 88.137161 |
[
[
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[
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[
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[
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4.0554757272251845,
1.4000420943590077
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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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29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211725> | Pmc2_1 | Cu-Pt | 0.047352 | null | null | 0 | 7,232.662104 | 190.32254 |
[
[
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0,
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[
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1.380139415,
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[
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0,
4.653744246686744
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[
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1.380139415,
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] | [
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[
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[
0,
0,
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] | [
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29,
78,
78
] | [
1,
1,
1
] | alex<agm003188318> | P4/nmm | Cu-Pt | 0.079686 | null | null | 0 | 7,232.662104 | 179.092926 |
[
[
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[
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[
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-5.727599891... | [
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[
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0,
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[
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0,
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] | [
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003188308> | R-3m | Cu-Pt | 0.085187 | null | null | -0.000023 | 7,232.662104 | 183.685272 |
[
[
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0
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] | [
[
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[
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[
0,
0,
-4.36001122
]
] | [
29,
78
] | [
1,
1,
1
] | alex<agm002060035> | P-6m2 | Cu-Pt | 0.022456 | null | null | -0.000012 | 7,232.662104 | 187.411667 |
[
[
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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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29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211707> | Pm | Cu-Pt | 0.059501 | null | null | -0 | 7,232.662104 | 188.45578 |
[
[
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[
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[
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[
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2.289459... | [
[
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[
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[
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0,
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]
] | [
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003188329> | Pmmn | Cu-Pt | 0.066289 | null | null | 0 | 7,232.662104 | 183.650375 |
[
[
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[
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[
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[
-2.473484438329459e-... | [
[
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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,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211718> | P2/m | Cu-Pt | 0.054813 | null | null | -0.000125 | 7,232.662104 | 189.547195 |
[
[
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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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[
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2.2085235148... | [
[
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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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29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211712> | Cmm2 | Cu-Pt | 0.068445 | null | null | -0.000166 | 7,232.662104 | 188.167038 |
[
[
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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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57,
57,
57,
57,
57,
57,
57,
79,
79
] | [
1,
1,
1
] | alex<agm003297975> | Fdd2 | Au-La | 0.086677 | null | null | -0.000032 | 2,550.390455 | 30.404346 |
[
[
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[
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[
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[
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] | [
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[
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] | [
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003188380> | I4_1/amd | Cu-Pt | 0.069417 | null | null | -0.000092 | 7,232.662104 | 184.932022 |
[
[
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[
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[
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[
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-3.921346269116... | [
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[
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] | [
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003263829> | Imma | Cu-Pt | 0.033807 | null | null | -0.000001 | 7,232.662104 | 185.239471 |
[
[
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[
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[
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-0.6359660687554... | [
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[
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0,
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] | [
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003188373> | C2/m | Cu-Pt | 0.039774 | null | null | 0.000014 | 7,232.662104 | 186.475174 |
[
[
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[
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[
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[
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[
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1.3161789863539... | [
[
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[
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[
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] | [
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29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211721> | Pmmm | Cu-Pt | 0.077302 | null | null | 0.000001 | 7,232.662104 | 190.369781 |
[
[
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[
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[
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[
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[
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[
1.54358... | [
[
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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,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211738> | P2 | Cu-Pt | 0.071231 | null | null | 0 | 7,232.662104 | 188.320999 |
[
[
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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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] | [
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003263840> | Cmmm | Cu-Pt | 0.074429 | null | null | -0.000082 | 7,232.662104 | 189.410614 |
[
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[
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[
... | [
[
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[
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[
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] | [
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003263841> | P-1 | Cu-Pt | 0.050129 | null | null | 0.000019 | 7,232.662104 | 188.14122 |
[
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[
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[
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[
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-2.12616061916... | [
[
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[
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[
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] | [
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29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211747> | F222 | Cu-Pt | 0.054634 | null | null | -0.000106 | 7,232.662104 | 191.067078 |
[
[
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[
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[
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[
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[
-1.5... | [
[
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[
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[
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] | [
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57,
57,
57,
57,
57,
57,
57,
57,
57,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003218071> | P6_3/mcm | Au-La | 0.032126 | null | null | 0.000015 | 2,134.648152 | 38.290508 |
[
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[
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3.4184088195941933,
4.14148189325769
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[
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2.5843592219095037,
1.6262744493677679
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[
... | [
[
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0,
1.0600170197138303
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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,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003211716> | P1 | Cu-Pt | 0.055304 | null | null | -0.000106 | 7,232.662104 | 187.455704 |
[
[
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[
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[
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[
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[
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1.99... | [
[
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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,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209539> | Pmmm | Cu-Pt | 0.043679 | null | null | -0 | 7,665.483171 | 197.21405 |
[
[
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[
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[
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4.085086265
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[
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1.394760137129... | [
[
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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,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209537> | Pmm2 | Cu-Pt | 0.029601 | null | null | -0 | 7,665.483171 | 197.762314 |
[
[
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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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0,
0
... | [
[
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[
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0,
2.895310746318124e-16
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[
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0,
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] | [
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29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209543> | C222 | Cu-Pt | 0.043689 | null | null | 0.000001 | 7,665.483171 | 197.069794 |
[
[
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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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29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209535> | P1 | Cu-Pt | 0.043224 | null | null | -0.000165 | 7,665.483171 | 197.107437 |
[
[
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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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0,
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[
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[
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0,
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] | [
29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209538> | Pmm2 | Cu-Pt | 0.092948 | null | null | 0.000717 | 7,665.483171 | 192.588043 |
[
[
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[
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[
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[
1.66714580872868... | [
[
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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,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209545> | P-1 | Cu-Pt | 0.05199 | null | null | -0 | 7,665.483171 | 200.175491 |
[
[
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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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0,
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[
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[
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] | [
29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209544> | P4mm | Cu-Pt | 0.060153 | null | null | 0.001623 | 7,665.483171 | 190.760727 |
[
[
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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,
6.705850502131339
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] | [
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57,
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57,
57,
57,
57,
57,
57,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003284853> | I4/mcm | Au-La | 0.058227 | null | null | 0.000218 | 2,134.648152 | 38.225536 |
[
[
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[
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[
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[
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[
0.5767909711717597... | [
[
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[
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[
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0,
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] | [
29,
29,
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003197187> | Cmcm | Cu-Pt | 0.095346 | null | null | 0 | 6,101.951728 | 166.465561 |
[
[
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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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] | [
29,
29,
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003197186> | Cmcm | Cu-Pt | 0.039296 | null | null | -0 | 6,101.951728 | 162.835678 |
[
[
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[
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[
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[
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1.8510490147198881,
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... | [
[
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[
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] | [
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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003212309> | I4_1/amd | Cu-Pt | 0.009845 | null | null | 0.000211 | 6,101.951728 | 171.511398 |
[
[
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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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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209550> | P-1 | Cu-Pt | 0.056069 | null | null | -0.000119 | 6,101.951728 | 165.370453 |
[
[
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[
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[
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[
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1.071178275006391,
-4.574869920987268... | [
[
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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,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209547> | Fmm2 | Cu-Pt | 0.039974 | null | null | -0.0001 | 6,101.951728 | 167.916855 |
[
[
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[
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[
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[
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[
2.0530094... | [
[
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[
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[
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] | [
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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209546> | P2_1/m | Cu-Pt | 0.062731 | null | null | -0.000008 | 6,101.951728 | 164.419586 |
[
[
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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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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209548> | P1 | Cu-Pt | 0.045141 | null | null | -0 | 6,101.951728 | 164.318802 |
[
[
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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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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209555> | C2 | Cu-Pt | 0.03629 | null | null | -0.000028 | 6,101.951728 | 165.67186 |
[
[
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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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] | [
29,
29,
29,
29,
29,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003267003> | P-62m | Cu-Pt | 0.094834 | null | null | -0.000063 | 6,101.951728 | 154.201523 |
[
[
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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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57,
57,
57,
57,
57,
57,
57,
57,
57,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003218072> | C2/m | Au-La | 0.042148 | null | null | -0.000399 | 2,134.648152 | 39.619034 |
[
[
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[
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[
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1.3587044175519312,
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] | [
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[
-0.20327995277293262,
2.7174088351038623,
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]
] | [
29,
29,
78
] | [
1,
1,
1
] | alex<agm003158102> | I4/mmm | Cu-Pt | 0.039752 | null | null | -0.000031 | 6,101.951728 | 162.537918 |
[
[
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[
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[
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[
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0,
1.1665243548262933e-16
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[
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1.27549057... | [
[
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[
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[
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0,
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]
] | [
29,
29,
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003294783> | C2/m | Cu-Pt | 0.018819 | null | null | 0 | 6,101.951728 | 162.396103 |
[
[
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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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6.305639725246743,
2.925856106968091
],
[
0,
0,
7.04338444
]
] | [
29,
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003212310> | Immm | Cu-Pt | 0.026443 | null | null | -0.000128 | 6,101.951728 | 168.198334 |
[
[
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0.9437822769654003,
2.0446423660471287
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[
1.6100720123643895,
4.442241424866068,
2.050316821852771
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[
2.501738934253612,
1.9237163321657247,
1.4212465106123482
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[
3.9994696348619554,
5.416232759863033,
1.4323082670274294
],
... | [
[
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0,
0.5299028505893606
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[
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0.6137375017764067
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[
0,
0,
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] | [
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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209549> | C2/c | Cu-Pt | 0.040536 | null | null | -0.000111 | 6,101.951728 | 166.59346 |
[
[
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1.9754253125540153
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[
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[
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0.6393883831418075
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[
2.8713956475,
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5.906314567554015
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[
0.95713188249999... | [
[
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[
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5.26367354,
3.223070476258809e-16
],
[
0,
0,
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] | [
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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003212311> | Pnma | Cu-Pt | 0.016176 | null | null | -0.000053 | 6,101.951728 | 163.144363 |
[
[
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[
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[
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[
0.6826510174999998,
3.0080764638267263,
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[
2.0479... | [
[
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[
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0,
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] | [
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29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205046> | P2_1/m | Cu-Pt | 0.042904 | null | null | 0 | 7,744.055119 | 198.648895 |
[
[
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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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] | [
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205043> | P-1 | Cu-Pt | 0.038021 | null | null | -0.000065 | 7,744.055119 | 198.702881 |
[
[
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[
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[
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[
1.8440430249999997,
1.882382,
3.3984543581356133
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] | [
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[
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[
0,
0,
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] | [
3,
3,
20,
12
] | [
1,
1,
1
] | alex<agm003173626> | P4mm | Ca-Li-Mg | 0.0517 | null | null | 0.000384 | 1,668.356226 | 51.173042 |
[
[
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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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57,
57,
57,
57,
57,
57,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003288491> | C2/c | Au-La | 0.026765 | null | null | 0.000331 | 2,339.972788 | 31.496611 |
[
[
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[
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[
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[
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[
-3.... | [
[
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[
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[
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] | [
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29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003287300> | P4/m | Cu-Pt | 0.039969 | null | null | -0.000017 | 7,744.055119 | 199.484039 |
[
[
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[
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[
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[
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-1.888096478... | [
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[
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0,
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[
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0,
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] | [
29,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003195010> | R-3m | Cu-Pt | 0.016133 | null | null | -0 | 7,744.055119 | 197.371643 |
[
[
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[
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[
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[
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0.004734258436312456
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[
1.93176322... | [
[
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[
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[
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0,
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] | [
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29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205045> | P2/m | Cu-Pt | 0.042755 | null | null | -0.000141 | 7,744.055119 | 200.838898 |
[
[
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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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29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205044> | P1 | Cu-Pt | 0.052833 | null | null | 0 | 7,744.055119 | 200.609253 |
[
[
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[
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[
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[
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[
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1.1784097030235106... | [
[
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0,
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[
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] | [
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003257910> | I4/mmm | Cu-Pt | 0.064508 | null | null | 0.000129 | 7,607.839757 | 189.596298 |
[
[
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[
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[
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... | [
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0,
0.7881941737151086
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[
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0,
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] | [
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003257909> | R3 | Cu-Pt | 0.03691 | null | null | -0 | 7,607.839757 | 199.941666 |
[
[
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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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29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205048> | P-1 | Cu-Pt | 0.048874 | null | null | -0.000021 | 6,605.45139 | 174.194626 |
[
[
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[
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[
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[
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3... | [
[
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[
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3.6143247014777784e-16
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[
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0,
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] | [
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29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205051> | P4_2/m | Cu-Pt | 0.048848 | null | null | 0 | 6,605.45139 | 170.269836 |
[
[
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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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29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205052> | P2/m | Cu-Pt | 0.040715 | null | null | -0.000148 | 6,605.45139 | 174.032501 |
[
[
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[
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[
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-2.5450112564929928,
2.8329639833188587... | [
[
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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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29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205049> | Fdd2 | Cu-Pt | 0.082855 | null | null | -0 | 6,605.45139 | 166.291565 |
[
[
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[
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[
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[
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[
1.85350... | [
[
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[
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[
4.803071108091645e-16,
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4.528741509999998
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] | [
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57,
57,
57,
57,
57,
57,
57,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003221809> | P6_3/mcm | Au-La | 0.074822 | null | null | -0.00007 | 1,983.886742 | 49.487328 |
[
[
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[
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[
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[
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[
2.03423448... | [
[
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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,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205050> | P2_1/m | Cu-Pt | 0.086447 | null | null | 0.000234 | 6,605.45139 | 170.459793 |
[
[
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[
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[
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[
1.3684442649999997,
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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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29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003205047> | Pm | Cu-Pt | 0.043163 | null | null | -0.000181 | 6,605.45139 | 172.157578 |
[
[
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[
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[
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[
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],
... | [
[
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[
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] | [
29,
29,
29,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003257911> | I4/mmm | Cu-Pt | 0.061809 | null | null | 0.000391 | 6,798.694838 | 172.858765 |
[
[
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[
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[
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[
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0.7943145872608708,
-5.5521880473014... | [
[
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[
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[
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] | [
29,
29,
29,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003257913> | Imm2 | Cu-Pt | 0.065532 | null | null | 0.00007 | 6,798.694838 | 179.329834 |
[
[
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-0.009631524084510311,
-0.00672654878990482
],
[
-1.1794232796434296,
-0.6469162528801887,
-2.3081830468527063
],
[
-2.343607077189249,
-1.282178187889492,
-0.027818174500335663
],
[
-0.1578301356257452,
-2.5471525729843205,
-0.790... | [
[
0.8838558467025028,
-4.489111820627318,
0.7506602297847907
],
[
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0,
0.7506602297847907
],
[
0,
0,
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] | [
29,
29,
29,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003257912> | R3 | Cu-Pt | 0.052646 | null | null | -0 | 6,798.694838 | 180.994598 |
[
[
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0,
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[
0,
0,
0
],
[
-1.1517177644435337,
4.829927488985638,
-0.7320197308378109
],
[
2.845960211057653,
4.071840805993784,
0.7303594220879125
],
[
0.6768974300011157,
2.330082346664534,
-0.63490067... | [
[
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0,
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[
-2.5220450847184996,
5.615925320821978,
-2.680091366594819
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[
0,
0,
6.71432933
]
] | [
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29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003289909> | R-3 | Cu-Pt | 0.050521 | null | null | -0 | 6,798.694838 | 169.352448 |
[
[
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[
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[
-6.478661679812936,
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0.6364427146673282
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[
-4.443570926082615,
-0.8531070707977295,
0.6974010502... | [
[
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0,
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[
-1.7081108082554963,
-4.118930070058551,
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],
[
-3.4162216166387807,
0,
2.969617445078658
]
] | [
29,
29,
29,
29,
78
] | [
1,
1,
1
] | alex<agm003195012> | I4/m | Cu-Pt | 0.019213 | null | null | -0.000009 | 4,800.120196 | 148.909241 |
[
[
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4.670097862815207,
12.782523456825823
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[
1.3579295149999997,
3.87832698734491,
10.786082298683864
],
[
-1.9148427157223536e-16,
3.127175471418439,
8.685835495774029
],
[
1.3579295149999997,
2.366229043529703,
6.608575946791774
... | [
[
2.71585903,
0,
1.6629840340124677e-16
],
[
-2.8687574335907935e-16,
4.685036429422972,
0.014905381459869884
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[
0,
0,
12.93409245
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] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209528> | Pm | Cu-Pt | 0.075788 | null | null | -0.00002 | 6,719.668197 | 173.812408 |
[
[
2.272586289244135,
4.015735392205614,
0.4052678875556903
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[
3.4061628154401977,
2.678388574457644,
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],
[
4.545172618273961,
1.3611277065880918,
5.265109637845028
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[
3.4216169034443196,
4.0168451694322,
2.8618122154597985
],
[
... | [
[
4.545172617117769,
0,
0.8105357827691791
],
[
2.272586311976517,
4.023410167803004,
0.4052678916087969
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[
0,
0,
8.90914771
]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209533> | C2 | Cu-Pt | 0.043305 | null | null | -0.000048 | 6,719.668197 | 180.057068 |
[
[
0,
0,
0
],
[
2.4291449049999994,
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2.7834999949999997
],
[
4.85828981,
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2.783499995
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[
4.85828981,
1.6070544714025716,
2.783499995
],
[
2.429144905,
2.4105817071038573,
1.3917499975000007
],
... | [
[
4.85828981,
0,
2.974844532573351e-16
],
[
-2.9521111716879026e-16,
4.821163414207716,
2.783499995000001
],
[
2.9521111716879026e-16,
-4.821163414207716,
2.7834999949999992
]
] | [
57,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002156040> | P6/mmm | Au-La | 0.063761 | null | null | 0.00002 | 1,259.581331 | 97.297897 |
[
[
0,
0,
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],
[
2.328650865,
0,
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],
[
0,
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[
2.328650865,
0,
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[
0,
0,
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],
[
-0.805346976885081,
2.1849556283566285,
-8.0459477759... | [
[
-1.610693953770162,
4.369911256713257,
2.8517748281539654e-16
],
[
4.65730173,
0,
2.8517748281539654e-16
],
[
0,
0,
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]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003212307> | C222 | Cu-Pt | 0.025192 | null | null | -0.00021 | 6,719.668197 | 179.260056 |
[
[
3.6332306271145876,
3.799233122331973,
3.6270650079539934
],
[
2.6110091218375637,
0.3715691868662686,
7.811264634466078
],
[
4.7328367063667915,
1.6296945812895114,
8.375489656338974
],
[
1.5114030425853604,
2.54110772790873,
3.0628399860810984
],
[... | [
[
4.26479685701338,
0,
1.041911822505352
],
[
1.9794428919387714,
4.170802309198241,
1.1470398799147195
],
[
0,
0,
9.24937794
]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003293139> | C2/m | Cu-Pt | 0.089948 | null | null | -0.000042 | 6,719.668197 | 169.740768 |
[
[
1.5307375182447889,
1.4039137086263405,
1.0552373378723778
],
[
2.3208858416952194,
2.699107995,
3.2527593606528336
],
[
3.1110341651456497,
3.994302281373659,
5.450281383433289
],
[
0.7997041067264423,
2.699107995,
5.5076053339567945
],
[
1.5307... | [
[
4.641771683390439,
0,
-0.07271489869433309
],
[
-3.30545396662978e-16,
5.39821599,
3.30545396662978e-16
],
[
0,
0,
6.57823362
]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209526> | P2/m | Cu-Pt | 0.052408 | null | null | -0 | 6,719.668197 | 180.627747 |
[
[
0,
0,
0.007904829471202501
],
[
-0.8103765758919285,
2.2062039268671816,
6.6780037062496564
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[
0,
0,
5.376618659508638
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[
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2.2062039268671816,
3.993784960352713
],
[
0,
0,
2.6466109232670108
],
[
1.51179733... | [
[
4.64434783,
0,
2.843842852068228e-16
],
[
-1.620753151783857,
4.412407853734363,
2.8783227704517536e-16
],
[
0,
0,
8.01910167
]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003212306> | P2 | Cu-Pt | 0.026186 | null | null | -0.000179 | 6,719.668197 | 178.78241 |
[
[
0.8711103617196141,
-2.0990422633963832,
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],
[
0.24562700079231825,
0.36352277767997354,
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],
[
1.3205754358758885,
-1.4338434387542411,
-5.57551401846954
],
[
0.6994278734747987,
1.0351384926420848,
-4.769233681491892
... | [
[
-1.7083844963059662,
4.248161428900503,
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],
[
4.578804769065456,
0,
-0.8623178993182607
],
[
-2.8704202727594894,
-4.248161428900503,
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]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209531> | Fmm2 | Cu-Pt | 0.078819 | null | null | 0 | 6,719.668197 | 178.416122 |
[
[
5.434044541714402,
3.394051905012346,
7.756742951029308
],
[
2.959783320291522,
2.57267128488135,
1.1011329243041397
],
[
0.4855220988686423,
1.751290664750354,
1.5071468775789718
],
[
4.7472145782606265,
0.8786754503412232,
7.2221190848384005
],
[
... | [
[
4.527968079690634,
0,
1.1068264279100017
],
[
1.3915985608924104,
5.1453425697627,
1.0954394206982778
],
[
0,
0,
7.06162398
]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209525> | P-1 | Cu-Pt | 0.042691 | null | null | -0.000283 | 6,719.668197 | 175.420578 |
[
[
-3.259785363676085e-16,
5.323633501423716,
7.86013250522958
],
[
1.91384013,
1.3101032890960556,
6.624759074581661
],
[
-1.6238581453331277e-16,
2.651961604707122,
5.269267889743894
],
[
1.9138401299999999,
4.007873113889658,
3.9192367630601335
],
[
... | [
[
3.82768026,
0,
2.3437781892842547e-16
],
[
-3.2620526860160273e-16,
5.32733631980616,
-0.11632018275004682
],
[
0,
0,
7.99075856
]
] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209527> | Pm | Cu-Pt | 0.032855 | null | null | -0.000172 | 6,719.668197 | 176.74469 |
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