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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] | alex<agm003553842> | Pmm2 | Cu-Ga-Nd | 0.034898 | null | null | 0.003248 | 2,684.931792 | 64.421593 |
[
[
0,
0,
4.05393954
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[
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0,
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[
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2.061934665,
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[
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0,
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[
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2.061934665,
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[
0,
0,
... | [
[
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0,
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[
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4.12386933,
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[
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] | [
60,
31,
31,
31,
31,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003558914> | P4/mmm | Cu-Ga-Nd | 0.06642 | null | null | -0 | 2,057.770638 | 81.864006 |
[
[
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0
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[
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[
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[
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2.7871204513230636,
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[
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0,
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] | [
60,
31,
31,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003475798> | Immm | Cu-Ga-Nd | 0.072366 | null | null | -0.000042 | 1,976.483245 | 95.269699 |
[
[
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0
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[
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[
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[
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[
4.07621084,
1.996966315817762,
3.45... | [
[
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[
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[
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] | [
60,
31,
31,
31,
31,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003663124> | P-6m2 | Cu-Ga-Nd | 0.022823 | null | null | 0.000018 | 1,925.583968 | 99.340118 |
[
[
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[
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[
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2.5534315906381055e-8
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[
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8.865454012486016,
2.5... | [
[
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[
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0
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] | [
60,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002208069> | F-43m | Cu-Ga-Nd | 0.043093 | null | null | -0 | 2,052.551431 | 100.612556 |
[
[
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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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[
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0,
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] | [
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31,
31,
31,
31,
31,
31,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003695802> | Immm | Cu-Ga-Nd | 0 | null | null | 0 | 1,921.804174 | 94.822762 |
[
[
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[
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[
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[
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7.2380010715842324
... | [
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[
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[
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0,
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] | [
60,
60,
60,
60,
31,
31,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm003391246> | C2/m | Cu-Ga-Nd | 0.011089 | null | null | 0.000003 | 2,552.651198 | 72.9049 |
[
[
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[
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[
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[
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7.2317866297894134e-34,
-0.502992635442... | [
[
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[
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0,
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[
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] | [
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60,
31,
31,
31,
31,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003365698> | Fmmm | Cu-Ga-Nd | 0.075772 | null | null | -0.000001 | 2,174.331722 | 80.24247 |
[
[
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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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58,
58,
58,
58,
58,
58,
31
] | [
1,
1,
1
] | alex<agm003299746> | Fm-3m | Ce-Ga | 0.032868 | null | null | -0.005615 | 3,020.357151 | 85.448326 |
[
[
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[
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[
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[
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[
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0.866236799... | [
[
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[
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[
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] | [
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60,
31,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003506494> | P-3m1 | Cu-Ga-Nd | 0.064846 | null | null | -0 | 2,161.899733 | 99.588547 |
[
[
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[
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[
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[
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0,
0.56825431999143
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[
1.1060225176292... | [
[
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[
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[
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] | [
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31,
31,
31,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003376256> | Immm | Cu-Ga-Nd | 0.06329 | null | null | 0.000206 | 2,174.65371 | 93.406776 |
[
[
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[
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[
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[
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[
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-1.0372862220... | [
[
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0,
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[
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[
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] | [
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60,
60,
31,
31,
31,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003380624> | Immm | Cu-Ga-Nd | 0.026676 | null | null | 0.000245 | 2,332.384278 | 84.897278 |
[
[
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[
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[
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[
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[
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2.85447527... | [
[
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[
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[
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0,
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] | [
60,
60,
60,
31,
31,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm003338881> | C2/m | Cu-Ga-Nd | 0.021557 | null | null | -0 | 2,458.517724 | 68.565712 |
[
[
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[
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[
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[
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1.0755279978562517,
8.861503608771397... | [
[
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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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60,
60,
60,
60,
60,
31,
31,
31,
31,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003330816> | Cmcm | Cu-Ga-Nd | 0.028251 | null | null | -0.000001 | 2,480.768474 | 84.120338 |
[
[
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[
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[
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[
-2.5402589764441013,
-1.915560500372888,
0.40441321985794654... | [
[
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[
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[
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] | [
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60,
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60,
60,
60,
60,
60,
60,
60,
60,
60,
31,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003502448> | Immm | Cu-Ga-Nd | 0.040875 | null | null | 0.000008 | 2,829.809172 | 57.273491 |
[
[
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-3.1247961097553727,
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[
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[
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[
1.782009697313866,
-1.8799248365297,
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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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58,
58,
58,
58,
58,
58,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003291204> | C2/m | Ce-Ga | 0.031334 | null | null | 0.018056 | 2,889.06991 | 71.738312 |
[
[
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0
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[
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0,
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[
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2.20961393,
5.172030222430745
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[
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2.20961393,
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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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4.41922786,
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[
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0,
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] | [
60,
31,
31,
31,
31,
31,
31,
29
] | [
1,
1,
1
] | alex<agm002208427> | P4/mmm | Cu-Ga-Nd | 0 | null | null | -0.000098 | 2,135.850292 | 69.036598 |
[
[
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[
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[
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[
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[
3.3708931... | [
[
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[
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6.62289814,
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[
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0,
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] | [
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60,
31,
31,
31,
31,
31,
31,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm002268476> | Cmcm | Cu-Ga-Nd | 0.018557 | null | null | 0.000008 | 2,203.427303 | 74.276337 |
[
[
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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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] | [
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60,
60,
60,
31,
31,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003412584> | Fmmm | Cu-Ga-Nd | 0.02954 | null | null | 0.000266 | 2,391.806612 | 89.920677 |
[
[
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[
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[
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[
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[
2.1786... | [
[
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[
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[
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0,
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]
] | [
60,
60,
31,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm003310344> | C2/m | Cu-Ga-Nd | 0.075131 | null | null | 0.000074 | 2,372.743279 | 80.9356 |
[
[
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0,
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[
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[
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[
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2.048526415,
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],
[
2.048526415,
0,
3.781377... | [
[
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[
-2.5087213170985526e-16,
4.09705283,
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[
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0,
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] | [
60,
60,
31,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003510660> | P-4m2 | Cu-Ga-Nd | 0.069428 | null | null | 0.000165 | 2,109.521698 | 102.041122 |
[
[
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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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] | [
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29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003671982> | I4/mmm | Cu-Ga-Nd | 0.061851 | null | null | -0.000086 | 1,867.518266 | 96.341713 |
[
[
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[
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[
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[
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[
2.0149924... | [
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[
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] | [
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59,
59,
48,
48,
48,
79,
79,
79
] | [
1,
1,
1
] | mp-1205879 | P-62m | Au-Cd-Pr | 0 | 0 | null | -0.000016 | 1,732.045715 | 62.587696 |
[
[
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[
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0,
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[
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] | [
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48,
79
] | [
1,
1,
1
] | alex<agm001263112> | P-6m2 | Au-Cd-Pr | 0.073075 | null | null | 0.000015 | 1,732.045715 | 56.286621 |
[
[
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[
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[
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[
3.4492... | [
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] | [
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59,
59,
59,
48,
48,
48,
48,
79,
79,
79,
79
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1,
1,
1
] | alex<agm002332009> | Pnma | Au-Cd-Pr | 0.030329 | null | null | 0.000232 | 1,732.045715 | 61.061729 |
[
[
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[
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[
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[
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] | [
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58,
31
] | [
1,
1,
1
] | alex<agm002337365> | I4/mmm | Ce-Ga | 0.070473 | null | null | 0.025177 | 2,860.918975 | 71.840157 |
[
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[
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6.117465513238041,
6.301628... | [
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48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm001020525> | Pmma | Au-Cd-Pr | 0.030771 | null | null | 0.00039 | 1,732.045715 | 65.826874 |
[
[
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[
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[
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] | [
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59,
59,
59,
48,
48,
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79,
79,
79
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1,
1,
1
] | mp-1206565 | P4/mbm | Au-Cd-Pr | 0 | 0 | null | null | 1,793.666103 | 62.143047 |
[
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[
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[
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] | [
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59,
48,
79,
79
] | [
1,
1,
1
] | alex<agm002331903> | Immm | Au-Cd-Pr | 0.064187 | null | null | 0.00012 | 1,793.666103 | 67.285416 |
[
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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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48,
79,
79
] | [
1,
1,
1
] | mp-867176 | Fm-3m | Au-Cd-Pr | 0 | 0 | null | 0.000002 | 1,509.275325 | 72.040543 |
[
[
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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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48,
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79
] | [
1,
1,
1
] | alex<agm002261468> | R-3m | Au-Cd-Pr | 0.005584 | null | null | 0 | 1,509.275325 | 74.568146 |
[
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[
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[
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[
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[
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-4.3647528759... | [
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[
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[
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] | [
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48,
48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003684211> | R-3m | Au-Cd-Pr | 0.079426 | null | null | -0 | 1,262.230656 | 60.773342 |
[
[
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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,
48,
79
] | [
1,
1,
1
] | alex<agm001201088> | P4/mmm | Au-Cd-Pr | 0.057312 | null | null | 0 | 2,058.090283 | 51.190716 |
[
[
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[
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[
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[
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[
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[
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] | [
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59,
48,
79
] | [
1,
1,
1
] | alex<agm001125343> | P4/mmm | Au-Cd-Pr | 0.026183 | null | null | 0.000529 | 2,058.090283 | 55.545174 |
[
[
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[
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[
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[
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-1.538956599686843e-34,
-0.431799392145... | [
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[
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] | [
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59,
48,
48,
48,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003365570> | Fmmm | Au-Cd-Pr | 0.072324 | null | null | 0.00025 | 1,466.024137 | 64.439827 |
[
[
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[
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4.564260202200010... | [
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] | [
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59,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003488417> | P-3m1 | Au-Cd-Pr | 0.066384 | null | null | -0 | 1,396.906868 | 84.194839 |
[
[
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[
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[
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] | [
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58,
31
] | [
1,
1,
1
] | alex<agm002213457> | C2/m | Ce-Ga | 0.028268 | null | null | -0.000003 | 2,860.918975 | 67.718224 |
[
[
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[
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... | [
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0,
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] | [
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59,
59,
59,
48,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003403019> | C2/m | Au-Cd-Pr | 0.092587 | null | null | -0 | 1,936.974282 | 49.864143 |
[
[
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[
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1.707575989557... | [
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] | [
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59,
59,
48,
48,
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79,
79,
79
] | [
1,
1,
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] | alex<agm003342803> | C2/m | Au-Cd-Pr | 0.062411 | null | null | 0.000064 | 1,665.429375 | 64.692398 |
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[
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[
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1.8... | [
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[
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] | [
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59,
59,
59,
48,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003641264> | P4/mmm | Au-Cd-Pr | 0.080783 | null | null | -0.000001 | 1,732.955801 | 75.534538 |
[
[
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[
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[
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[
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] | [
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59,
59,
59,
48,
48,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003366801> | P2/m | Au-Cd-Pr | 0.070844 | null | null | 0.001469 | 1,889.855282 | 50.662792 |
[
[
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[
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[
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] | [
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59,
59,
59,
59,
48,
79,
79
] | [
1,
1,
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] | alex<agm003528297> | C2/m | Au-Cd-Pr | 0.039667 | null | null | 0.000001 | 2,469.737986 | 45.294544 |
[
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[
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[
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7.504... | [
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] | [
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79,
79
] | [
1,
1,
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] | alex<agm001172571> | F-43m | Au-Cd-Pr | 0.060957 | null | null | 0 | 1,316.590604 | 83.898384 |
[
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[
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-1.391740169783756,
-12.20400683830... | [
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[
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] | [
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1,
1
] | alex<agm003434964> | P6_3/mmc | Au-Cd-Pr | 0.00772 | null | null | 0 | 1,379.825961 | 74.400383 |
[
[
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0
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[
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[
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[
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3.4478395807076905,
5.971833244114547
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[
-2.111192853243613e-16,
3.44783... | [
[
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0,
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[
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[
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] | [
59,
48,
48,
48,
48,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003663022> | P-6m2 | Au-Cd-Pr | 0.017682 | null | null | 0 | 1,310.774362 | 66.308716 |
[
[
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0
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[
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[
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[
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[
1.9202591899999997,
1.92025919,
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],
[
1.9202591899999997,
1.92025919,
5.79475533... | [
[
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0,
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[
-2.351639270566789e-16,
3.84051838,
2.351639270566789e-16
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[
0,
0,
11.58951067
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] | [
59,
59,
59,
48,
48,
79
] | [
1,
1,
1
] | alex<agm003436767> | P4/mmm | Au-Cd-Pr | 0.018589 | null | null | 0 | 2,131.026367 | 52.944363 |
[
[
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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,
0,
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] | [
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58,
58,
58,
58,
58,
58,
58,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002276651> | Pnma | Ce-Ga | 0 | null | null | 0.013121 | 2,860.918975 | 68.296783 |
[
[
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[
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[
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[
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[
2.1805... | [
[
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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,
48,
48,
48,
48,
48,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003748247> | Pmma | Au-Cd-Pr | 0.030746 | null | null | 0 | 1,547.03403 | 48.571442 |
[
[
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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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[
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48,
48,
48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003345966> | Ibam | Au-Cd-Pr | 0.077093 | null | null | 0.000002 | 1,530.000367 | 58.988605 |
[
[
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[
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[
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8.7576139826179... | [
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[
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0,
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] | [
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59,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003306880> | Cmmm | Au-Cd-Pr | 0.075192 | null | null | 0 | 1,684.10141 | 55.69083 |
[
[
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[
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[
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[
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[
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] | [
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59,
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48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003548321> | R-3 | Au-Cd-Pr | 0.094488 | null | null | -0.000251 | 1,371.432156 | 57.79718 |
[
[
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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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[
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0,
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] | [
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48,
48,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003385970> | Fmmm | Au-Cd-Pr | 0.084722 | null | null | -0.000017 | 1,155.585078 | 91.66655 |
[
[
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[
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[
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[
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1.01428294508376... | [
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[
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[
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0,
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] | [
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59,
48,
48,
48,
48,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003425522> | C2/m | Au-Cd-Pr | 0.033442 | null | null | 0.000165 | 1,455.323816 | 60.748386 |
[
[
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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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] | [
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59,
59,
59,
48,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003427918> | Fmmm | Au-Cd-Pr | 0.038238 | null | null | 0 | 1,634.98012 | 63.643402 |
[
[
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[
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[
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[
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[
1.9451445699999999,
1.945... | [
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[
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[
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] | [
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59,
59,
59,
59,
48,
48,
48,
48,
79
] | [
1,
1,
1
] | alex<agm003641262> | P4/mmm | Au-Cd-Pr | 0.009626 | null | null | 0.001374 | 2,194.852486 | 50.001873 |
[
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[
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[
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[
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[
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[
3.37366512... | [
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[
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] | [
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31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm001193369> | Cmmm | Ce-Ga | 0.062407 | null | null | 0.00683 | 2,244.032198 | 60.186249 |
[
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[
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[
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[
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[
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5.... | [
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[
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] | [
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48,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003456431> | Cmmm | Au-Cd-Pr | 0.016453 | null | null | -0 | 1,437.588544 | 64.30468 |
[
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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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0,
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] | [
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48,
48,
48,
48,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003671877> | I4/mmm | Au-Cd-Pr | 0.090327 | null | null | -0 | 1,198.865534 | 80.295265 |
[
[
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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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48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003679323> | Imm2 | Au-Cd-Pr | 0.086306 | null | null | 0 | 1,223.142708 | 73.879295 |
[
[
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[
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[
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[
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[
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[
1.7857... | [
[
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[
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[
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0,
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] | [
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59,
48,
48,
48,
79
] | [
1,
1,
1
] | alex<agm003412206> | Pmm2 | Au-Cd-Pr | 0.037298 | null | null | 0.002095 | 1,849.227209 | 50.718033 |
[
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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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] | [
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59,
48,
48,
48,
48,
48,
48,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003349607> | P-62m | Au-Cd-Pr | 0.076648 | null | null | 0.000713 | 1,513.289606 | 53.308857 |
[
[
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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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59,
48,
48,
48,
48,
48,
48,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003334554> | Cmce | Au-Cd-Pr | 0.082023 | null | null | 0.00018 | 1,492.554446 | 78.459915 |
[
[
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[
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[
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[
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[
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[
1.8931668499999998,
1.89316685,
1.905732722792... | [
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[
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[
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0,
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] | [
59,
59,
59,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003436766> | P4/mmm | Au-Cd-Pr | 0.03396 | null | null | 0.000265 | 1,991.792204 | 60.362759 |
[
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[
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[
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[
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[
1.... | [
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[
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[
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] | [
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58,
58,
58,
58,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003292625> | P6_3/mcm | Ce-Ga | 0.05786 | null | null | 0.02542 | 2,758.315501 | 67.92836 |
[
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[
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[
2.0178359... | [
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[
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79
] | [
1,
1,
1
] | mp-1205756 | P-62m | Au-Dy-Mg | 0 | 0 | null | 0 | 1,857.534863 | 63.490116 |
[
[
-2.5565217150000006,
-1.4760085003443741,
-4.5610057875
],
[
-2.556521715,
1.4760085003443724,
-1.5203352625
],
[
0,
0,
0
],
[
0,
0,
-3.040670525
],
[
-2.556521715,
1.4760085003443724,
-4.5610057875
],
[
-2.5565217150000006,
-... | [
[
-2.5565217150000006,
-4.4280255010331215,
-6.261672270450904e-16
],
[
-2.5565217149999997,
4.4280255010331215,
3.130836135225452e-16
],
[
0,
0,
-6.08134105
]
] | [
66,
66,
12,
12,
79,
79
] | [
1,
1,
1
] | alex<agm003604133> | P6_3/mmc | Au-Dy-Mg | 0.089164 | null | null | -0 | 1,857.534863 | 63.151485 |
[
[
1.148434195,
0.2519509103027861,
2.7440616746492794
],
[
3.4453025850000003,
3.274362194697214,
6.98843230964928
],
[
3.445302585,
6.800675299697214,
5.744679595350722
],
[
1.1484341949999999,
3.778264015302786,
1.5003089603507211
],
[
3.44530258... | [
[
4.59373678,
0,
2.8128525218762345e-16
],
[
-4.3184880568296143e-16,
7.05262621,
4.3184880568296143e-16
],
[
0,
0,
8.48874127
]
] | [
66,
66,
66,
66,
12,
12,
12,
12,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002286865> | Pnma | Au-Dy-Mg | 0.053274 | null | null | 0 | 1,857.534863 | 59.741756 |
[
[
4.440892098500626e-16,
6.015481735905473,
-1.0121018134690011e-16
],
[
0,
0,
0
],
[
-3.148287502965055e-16,
3.007740867952736,
4.946943005235127e-16
],
[
5.551115123125783e-16,
9.023222603858208,
5.045064216391282e-16
]
] | [
[
1.4178626425208614,
4.010321157270314,
2.4558101350000006
],
[
1.4178626425208614,
4.010321157270314,
-2.4558101349999997
],
[
-2.8357252850417223,
4.010321157270314,
0
]
] | [
66,
12,
79,
79
] | [
1,
1,
1
] | mp-867762 | Fm-3m | Au-Dy-Mg | 0 | 0 | null | -0 | 1,566.688286 | 77.147194 |
[
[
1.730571495,
1.730571495,
3.49635085
],
[
1.730571495,
1.730571495,
2.1193388420473997e-16
],
[
0,
0,
5.337479489500913
],
[
0,
0,
1.6552222104990868
]
] | [
[
3.46114299,
0,
2.1193388420473997e-16
],
[
-2.1193388420473997e-16,
3.46114299,
2.1193388420473997e-16
],
[
0,
0,
6.9927017
]
] | [
66,
12,
79,
79
] | [
1,
1,
1
] | alex<agm001140714> | P4/mmm | Au-Dy-Mg | 0.072703 | null | null | -0 | 1,566.688286 | 70.413727 |
[
[
1.685687165,
1.685687165,
5.23969767
],
[
1.685687165,
1.685687165,
8.840330091491051
],
[
1.685687165,
1.685687165,
1.6390652485089496
],
[
0,
0,
0
],
[
0,
0,
7.197249977039441
],
[
0,
0,
3.2821453629605593
]
] | [
[
3.37137433,
0,
2.0643713909810263e-16
],
[
-2.0643713909810263e-16,
3.37137433,
2.0643713909810263e-16
],
[
0,
0,
10.47939534
]
] | [
66,
12,
12,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003438469> | P4/mmm | Au-Dy-Mg | 0.0716 | null | null | 0 | 1,395.188484 | 72.676788 |
[
[
-1.5616423008955517e-16,
2.55035542,
1.5616423008955517e-16
],
[
0,
0,
2.55035542
],
[
1.8937698699999999,
2.55035542,
2.5503554200000003
],
[
1.89376987,
0,
1.1595996048085997e-16
]
] | [
[
3.78753974,
0,
2.3191992096171995e-16
],
[
-3.1232846017911035e-16,
5.10071084,
3.1232846017911035e-16
],
[
0,
0,
5.10071084
]
] | [
66,
66,
12,
79
] | [
1,
1,
1
] | alex<agm001213896> | P4/mmm | Au-Dy-Mg | 0.09448 | null | null | 0 | 2,227.132324 | 56.596111 |
[
[
0,
0,
0
],
[
0,
0,
7.477622640909492
],
[
0,
0,
3.482974809090507
],
[
1.8302226699999997,
1.83022267,
5.480298725
],
[
1.8302226699999997,
1.83022267,
9.111603189775384
],
[
1.8302226699999997,
1.83022267,
1.8489942602246... | [
[
3.66044534,
0,
2.2413763345424225e-16
],
[
-2.2413763345424225e-16,
3.66044534,
2.2413763345424225e-16
],
[
0,
0,
10.96059745
]
] | [
66,
66,
66,
12,
79,
79
] | [
1,
1,
1
] | alex<agm002286864> | P4/mmm | Au-Dy-Mg | 0.07356 | null | null | 0.000073 | 2,116.876344 | 62.100857 |
[
[
2.200908676525944,
0.6132220419419457,
6.0694427399999995
],
[
0.04059697444953629,
4.569098243703719,
2.0231475800000003
],
[
2.225976258523966,
3.6787221889076482,
4.49091243069641
],
[
0.01552939245151417,
1.5035980967380158,
3.6016778893035903
],
... | [
[
4.38633313,
0,
2.6858544138242453e-16
],
[
-2.14482747902452,
5.182320285645664,
3.434295278332698e-16
],
[
0,
0,
8.09259032
]
] | [
66,
66,
12,
12,
12,
12,
79,
79
] | [
1,
1,
1
] | alex<agm002219834> | Cmcm | Au-Dy-Mg | 0.060736 | null | null | -0 | 1,776.680222 | 56.264256 |
[
[
-1.3586758340945222e-16,
2.218886025,
2.218886025
],
[
2.218886025,
0,
2.218886025
],
[
2.218886025,
2.218886025,
2.7173516681890443e-16
],
[
0,
0,
0
]
] | [
[
4.43777205,
0,
2.7173516681890443e-16
],
[
-2.7173516681890443e-16,
4.43777205,
2.7173516681890443e-16
],
[
0,
0,
4.43777205
]
] | [
40,
40,
40,
22
] | [
1,
1,
1
] | alex<agm001190274> | Pm-3m | Ti-Zr | 0.07357 | null | null | 0.000021 | 2,451.131589 | 97.220383 |
[
[
0,
0,
0
],
[
2.2211148351697965,
-1.0070410893325632,
1.2605958628431242
],
[
0.8796096635114266,
1.007041089332564,
2.398672115243937
]
] | [
[
0.4169667191599781,
-3.0725610118978737,
1.1370571319129388
],
[
3.100724498681223,
0,
-1.1370571319129388
],
[
-0.4169667191599781,
3.0725610118978737,
3.659267978087061
]
] | [
21,
29,
29
] | [
1,
1,
1
] | mp-1018149 | I4/mmm | Cu-Sc | 0 | 0 | null | -0.000001 | 2,283.896383 | 81.53302 |
[
[
0,
0,
0
],
[
0,
0,
3.6596075955359035
],
[
0,
0,
6.986225482089761
],
[
0,
0,
10.281827527910238
],
[
0,
0,
13.608445414464095
],
[
1.664786695,
1.664786695,
1.988630427958824
],
[
1.664786695,
1.664786695,
... | [
[
3.32957339,
0,
2.0387756972948512e-16
],
[
-2.0387756972948512e-16,
3.32957339,
2.0387756972948512e-16
],
[
0,
0,
17.26805301
]
] | [
66,
12,
12,
12,
12,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003646106> | P4/mmm | Au-Dy-Mg | 0.060586 | null | null | 0.000405 | 1,235.136661 | 74.848816 |
[
[
0,
0,
3.3952550982152796
],
[
0,
0,
7.116278947838412
],
[
0,
0,
10.812952212161589
],
[
0,
0,
14.53397606178472
],
[
0,
0,
0
],
[
1.770211805,
1.770211805,
1.6321506244344108
],
[
1.770211805,
1.770211805,
... | [
[
3.54042361,
0,
2.1678842208061086e-16
],
[
-2.1678842208061086e-16,
3.54042361,
2.1678842208061086e-16
],
[
0,
0,
17.92923116
]
] | [
66,
66,
66,
66,
12,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003646107> | P4/mmm | Au-Dy-Mg | 0.036648 | null | null | 0.000203 | 1,815.391864 | 73.905914 |
[
[
1.8251324949999999,
1.825132495,
2.0024422336197474
],
[
1.8251324949999999,
1.825132495,
5.500456096515238
],
[
1.8251324949999999,
1.825132495,
9.03892911
],
[
1.8251324949999999,
1.825132495,
12.577402123484761
],
[
1.8251324949999999,
1.8... | [
[
3.65026499,
0,
2.2351426680215725e-16
],
[
-2.2351426680215725e-16,
3.65026499,
2.2351426680215725e-16
],
[
0,
0,
18.07785822
]
] | [
66,
66,
66,
66,
66,
12,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003646104> | P4/mmm | Au-Dy-Mg | 0.054647 | null | null | 0.000178 | 2,042.732475 | 67.600494 |
[
[
1.9020522699999998,
2.652070718365524,
6.613782953365525
],
[
1.9020522699999995,
6.613782953365524,
5.271353751634476
],
[
1.90205227,
1.3096415166344755,
2.652070718365524
],
[
1.9020522699999998,
5.271353751634475,
1.309641516634476
],
[
-2.42... | [
[
3.80410454,
0,
2.329342224266457e-16
],
[
-4.851698207735657e-16,
7.92342447,
4.851698207735657e-16
],
[
0,
0,
7.92342447
]
] | [
66,
66,
66,
66,
12,
12,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002285643> | P4/mbm | Au-Dy-Mg | 0.042826 | null | null | 0.002242 | 1,901.928286 | 69.060059 |
[
[
1.742920605,
1.742920605,
8.836162421577928
],
[
1.742920605,
1.742920605,
1.9186486084220735
],
[
1.742920605,
1.742920605,
5.377405515
],
[
0,
0,
0
],
[
0,
0,
7.052578107476109
],
[
0,
0,
3.702232922523891
]
] | [
[
3.48584121,
0,
2.134462140081218e-16
],
[
-2.134462140081218e-16,
3.48584121,
2.134462140081218e-16
],
[
0,
0,
10.75481103
]
] | [
66,
66,
12,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003438468> | P4/mmm | Au-Dy-Mg | 0.066521 | null | null | 0.000334 | 1,712.98037 | 74.851357 |
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