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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0.725548319976684... | [
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1,
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1,
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[
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4.0951716400578... | [
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1,
1,
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] | alex<agm003267004> | P-62m | Cu-Pt | 0.094787 | null | null | 0.000293 | 8,035.563813 | 198.041962 |
[
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] | alex<agm002283283> | R3m | Au-La | 0.026007 | null | null | -0.000099 | 1,259.581331 | 102.851608 |
[
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78,
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1,
1
] | alex<agm003209560> | P-1 | Cu-Pt | 0.03741 | null | null | -0.000212 | 8,035.563813 | 203.639801 |
[
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1,
1
] | alex<agm003209563> | P2_1/m | Cu-Pt | 0.045613 | null | null | -0 | 8,035.563813 | 206.353073 |
[
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] | [
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1,
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] | alex<agm003294457> | R-3m | Cu-Pt | 0.046633 | null | null | 0.000001 | 8,035.563813 | 202.634933 |
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... | [
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78,
78,
78,
78,
78,
78,
78,
78
] | [
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1,
1
] | alex<agm003212312> | P3m1 | Cu-Pt | 0.036415 | null | null | 0.000003 | 8,035.563813 | 202.727051 |
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] | [
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78
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] | alex<agm003197189> | Cmcm | Cu-Pt | 0.085991 | null | null | 0.000251 | 8,035.563813 | 198.310242 |
[
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] | alex<agm003212314> | C2/m | Cu-Pt | 0.034572 | null | null | -0 | 8,035.563813 | 204.600479 |
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] | alex<agm003209562> | Fmmm | Cu-Pt | 0.057965 | null | null | 0.002501 | 8,035.563813 | 205.692917 |
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4.757208336720566e-16
],
[
0,
0,
8.20079937
]
] | [
29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003212313> | Pnma | Cu-Pt | 0.018323 | null | null | -0 | 8,035.563813 | 205.255005 |
[
[
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1.7972017094343944
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[
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1.469117727941477,
6.225425277587586
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[
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4.7808505243793205
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[
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0.7650161813354518,
3.241776462642658
],
... | [
[
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[
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0,
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],
[
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3.786466895919364,
8.02262698702198
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] | [
57,
57,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003194957> | I4/mmm | Au-La | 0.029935 | null | null | 0.00001 | 1,671.573413 | 70.387924 |
[
[
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0.5924302369660858
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[
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[
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4.300467306539901
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[
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3.539066328617576,
6.11643359236019
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[... | [
[
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0.6054257513816454
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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,
78,
78
] | [
1,
1,
1
] | alex<agm003209564> | C2 | Cu-Pt | 0.053988 | null | null | -0 | 8,035.563813 | 209.048325 |
[
[
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2.05761702671784,
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[
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[
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[
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4.812596496717839,
2.245284774704805
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[
3.5... | [
[
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0,
0.024909084454998825
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[
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5.50995894,
3.3738767896521715e-16
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[
0,
0,
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] | [
29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209556> | P2_1/c | Cu-Pt | 0.041614 | null | null | -0.000016 | 8,035.563813 | 206.307205 |
[
[
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[
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[
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3.9060183043235255
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[
1.9387799349999997,
1.9497773626969583,
3.9032713961295173
]... | [
[
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0,
2.374320641648863e-16
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[
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5.850385215933596,
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[
0,
0,
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] | [
29,
29,
29,
29,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003209559> | Pm | Cu-Pt | 0.047025 | null | null | -0.00007 | 8,035.563813 | 205.870377 |
[
[
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[
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],
[
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0.7937560919068642,
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]
] | [
[
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[
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1.6836761133269432e-16
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[
0,
0,
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]
] | [
29,
78,
78
] | [
1,
1,
1
] | alex<agm003161368> | P-3m1 | Cu-Pt | 0.026417 | null | null | -0.00006 | 8,035.563813 | 210.304825 |
[
[
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2.74431015340823,
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[
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[
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[
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[
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[
-1.68040532... | [
[
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[
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[
0,
0,
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] | [
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003264637> | Cmmm | Cu-Pt | 0.034386 | null | null | -0.000001 | 7,857.48136 | 208.381226 |
[
[
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[
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[
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[
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4.44022871419411,
5.480005569193731
],
... | [
[
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0,
0.0010131683706421288
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[
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4.450357906804314,
1.3619922089728633
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[
0,
0,
5.47349344
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] | [
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003261501> | P1 | Cu-Pt | 0.039001 | null | null | 0 | 7,857.48136 | 206.016113 |
[
[
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[
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[
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2.3711473152525944
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[
4.188500356710602,
4.039959347757842,
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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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]
] | [
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003267006> | P1 | Cu-Pt | 0.05379 | null | null | -0 | 7,528.926386 | 194.960037 |
[
[
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[
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[
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[
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-3.7834210309066,
2.3367432623095175
... | [
[
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0,
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[
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[
-3.6785201039032853,
0,
4.804399366824889
]
] | [
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003267005> | I4/mmm | Cu-Pt | 0.057455 | null | null | 0 | 7,528.926386 | 197.958252 |
[
[
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0,
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[
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[
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0,
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[
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[
-2.4059411755463462,... | [
[
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0,
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[
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[
-3.6221976221853684,
0,
4.888557387444081
]
] | [
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003292654> | I4/mmm | Cu-Pt | 0.056242 | null | null | -0.000106 | 7,528.926386 | 195.202499 |
[
[
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[
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[
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[
-4.33456637015727,
-2.6941629373242266,
-2.0561343700027... | [
[
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[
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0,
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[
0,
0,
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] | [
57,
57,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003193304> | R-3m | Au-La | 0.048374 | null | null | -0.000013 | 1,671.573413 | 67.260887 |
[
[
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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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]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188266> | P-6m2 | Cu-Pt | 0.073445 | null | null | 0.000247 | 8,355.624093 | 208.800232 |
[
[
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[
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[
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[
3.42100311000000... | [
[
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[
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[
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] | [
29,
29,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003263817> | P6_3/mmc | Cu-Pt | 0.067741 | null | null | 0 | 8,355.624093 | 219.71843 |
[
[
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[
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[
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[
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2.3016090546529795,
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] | [
[
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[
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[
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0,
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]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188255> | C2/m | Cu-Pt | 0.036842 | null | null | -0 | 8,355.624093 | 206.355225 |
[
[
0,
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[
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[
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[
1.3793899599999997,
1.953309225,
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] | [
[
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[
-2.392113890141247e-16,
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],
[
0,
0,
5.54121263
]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188244> | Pmmm | Cu-Pt | 0.062334 | null | null | -0.000004 | 8,355.624093 | 217.448334 |
[
[
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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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[
-0.7049161802503977,
3.4876062592628947,
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]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002146728> | I4/mmm | Cu-Pt | 0.037654 | null | null | 0.000007 | 8,355.624093 | 223.292252 |
[
[
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[
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[
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0,
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[
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1.950320915,
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]
] | [
[
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[
-2.3884542658648873e-16,
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],
[
0,
0,
3.90064183
]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002146729> | Pm-3m | Cu-Pt | 0 | null | null | 0 | 8,355.624093 | 225.859161 |
[
[
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[
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[
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[
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-2.657906704397525... | [
[
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[
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[
0.5698767828388216,
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] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188190> | Imm2 | Cu-Pt | 0.050187 | null | null | -0 | 8,355.624093 | 211.425278 |
[
[
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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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[
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0,
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] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188163> | Cmmm | Cu-Pt | 0.090791 | null | null | 0.000125 | 8,355.624093 | 204.326263 |
[
[
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[
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[
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[
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] | [
[
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[
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0,
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[
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0,
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]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188202> | R-3m | Cu-Pt | 0.040684 | null | null | -0 | 8,355.624093 | 219.74353 |
[
[
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[
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[
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[
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] | [
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[
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[
0,
0,
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]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003186048> | Cmmm | Cu-Pt | 0.004536 | null | null | -0.000088 | 8,355.624093 | 218.123138 |
[
[
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[
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[
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[
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1.3881463220356263
... | [
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0,
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[
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[
-5.652051732172153,
0,
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] | [
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57,
57,
57,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003205001> | Fdd2 | Au-La | 0.078611 | null | null | 0.000015 | 1,671.573413 | 61.34095 |
[
[
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[
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[
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0,
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[
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2.2948961,
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] | [
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[
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[
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] | [
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78,
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78
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1,
1,
1
] | alex<agm003188177> | Pmm2 | Cu-Pt | 0.071985 | null | null | -0.000183 | 8,355.624093 | 209.317261 |
[
[
0,
0,
0
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[
0,
0,
3.86173034
],
[
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1.8213970089904472
],
[
1.384447915,
1.384447915,
5.902063671009553
]
] | [
[
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0,
1.695459707690977e-16
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[
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2.76889583,
1.695459707690977e-16
],
[
0,
0,
7.72346068
]
] | [
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003188226> | P4/mmm | Cu-Pt | 0.06089 | null | null | 0.000706 | 8,355.624093 | 216.074509 |
[
[
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3.2432080313414478,
4.267320933160378
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[
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[
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[
1.4215711707344905,
2.7484899540546426,
1.8198475852849527
... | [
[
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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
] | [
1,
1,
1
] | alex<agm003208312> | P-1 | Cu-Pt | 0.05208 | null | null | 0 | 7,477.440644 | 193.004013 |
[
[
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3.5143271476691855,
6.883049740582639
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[
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[
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[
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3.118160402349594,
2.2758959528520695
],
... | [
[
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[
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[
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0,
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] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003208305> | P-1 | Cu-Pt | 0.03809 | null | null | -0 | 6,340.643901 | 170.644531 |
[
[
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0.003717943480417088,
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[
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6.54892118876192
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[
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[
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1.6630237445748508,
5.553279635702755
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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,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003208306> | P1 | Cu-Pt | 0.03915 | null | null | -0.000274 | 6,340.643901 | 171.519485 |
[
[
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3.0364399116605854
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[
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[
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[
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3.5554569053707517,
3.036926039391592
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[
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[
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0,
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] | [
29,
29,
29,
29,
29,
29,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003208310> | P1 | Cu-Pt | 0.046481 | null | null | 0 | 6,964.151144 | 183.243713 |
[
[
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[
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[
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2.452930471289984
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[
-4.174107341102662,
-1.94880686064243... | [
[
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0,
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[
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[
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0,
4.887954552091252
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] | [
29,
29,
29,
29,
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003292286> | I4/mmm | Cu-Pt | 0.073944 | null | null | -0.000055 | 6,900.908142 | 181.668533 |
[
[
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[
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[
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[
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4.472012556240161
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[
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... | [
[
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0,
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[
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3.274055829620434
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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,
57,
79,
79
] | [
1,
1,
1
] | alex<agm003285928> | P-1 | Au-La | 0.045017 | null | null | 0.000023 | 2,723.922357 | 28.716408 |
[
[
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0
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[
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[
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0,
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[
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0,
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[
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[... | [
[
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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
] | [
1,
1,
1
] | alex<agm003267007> | I4/mmm | Cu-Pt | 0.042925 | null | null | -0.000039 | 6,900.908142 | 182.928619 |
[
[
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[
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[
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[
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[
-6.414171326933827,
-3.5253280... | [
[
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0,
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[
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[
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0,
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]
] | [
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003195013> | I4/m | Cu-Pt | 0.02574 | null | null | -0.000004 | 8,527.704821 | 228.621994 |
[
[
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[
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[
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[
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[
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-0.945007490... | [
[
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[
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0,
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[
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0,
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] | [
29,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003297176> | R-3m | Cu-Pt | 0.034558 | null | null | 0.000155 | 8,527.704821 | 213.520996 |
[
[
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[
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[
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[
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2.328729066546664
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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,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003208307> | P-1 | Cu-Pt | 0.029724 | null | null | 0 | 7,907.363999 | 199.401703 |
[
[
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[
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[
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[
-1.2442280058651451,
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-4.43219230181650... | [
[
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0,
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[
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[
-3.6443548655130162,
0,
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] | [
29,
29,
29,
29,
29,
29,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003291117> | C2/m | Cu-Pt | 0.012465 | null | null | -0 | 5,818.054043 | 163.116974 |
[
[
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0,
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[
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[
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[
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[
-3.085715230987785,
-2.20350596092851,
-5.2092410... | [
[
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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,
29,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003264634> | R-3m | Cu-Pt | 0.028928 | null | null | 0 | 6,425.807159 | 177.079666 |
[
[
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[
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[
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[
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1.161414633223544,
3.4110095664288282
... | [
[
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[
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[
0,
0,
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]
] | [
29,
29,
29,
29,
29,
78
] | [
1,
1,
1
] | alex<agm003203697> | Cmmm | Cu-Pt | 0.011601 | null | null | 0 | 4,391.181598 | 148.547302 |
[
[
0,
0,
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[
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[
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1.88319771,
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[
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0,
0
]
] | [
[
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0,
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[
-2.3062520477131256e-16,
3.76639542,
2.3062520477131256e-16
],
[
0,
0,
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]
] | [
57,
57,
57,
79
] | [
1,
1,
1
] | alex<agm003187431> | P4/mmm | Au-La | 0.049211 | null | null | -0.000008 | 2,425.987832 | 42.152222 |
[
[
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[
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[
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[
0.7510056845998572,
2.124164849160818,
1.3007800025000003
]... | [
[
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[
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4.248329698321636,
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[
-3.0040227383994282,
4.248329698321636,
0
]
] | [
29,
29,
29,
29,
29,
29,
29,
78
] | [
1,
1,
1
] | alex<agm003263864> | Fm-3m | Cu-Pt | 0 | null | null | -0 | 3,816.962804 | 141.038544 |
[
[
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0.6127494223470238,
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[
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[
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2.351112748385605
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[
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3.4805520352906814,
1.2300889160085053
... | [
[
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],
[
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],
[
0,
0,
5.84139813
]
] | [
29,
29,
29,
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003257908> | C2/m | Cu-Pt | 0.035637 | null | null | -0.000002 | 5,688.847546 | 157.655304 |
[
[
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[
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[
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[
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[
3.5014828511272675,
1.78484725812842,
... | [
[
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0,
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[
-0.13547776203213518,
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[
0,
0,
6.3746061
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] | [
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
78,
78
] | [
1,
1,
1
] | alex<agm003285638> | P-1 | Cu-Pt | 0.024549 | null | null | -0.000023 | 3,938.016684 | 144.784805 |
[
[
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0
],
[
-1.8725316691093932,
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[
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[
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0,
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],
[
-4.361320177235952,
-1.9431370786157642,
0.59044... | [
[
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0,
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[
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],
[
-3.745063338976945,
0,
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]
] | [
29,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002267620> | I4/mmm | Cu-Pt | 0.013657 | null | null | -0.000096 | 8,802.657156 | 239.955521 |
[
[
-1.406065425,
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[
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] | [
[
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[
-1.4060654249999998,
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],
[
0,
0,
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]
] | [
30,
77
] | [
1,
1,
1
] | mp-1206819 | P-6m2 | Ir-Zn | 0.013048 | 0 | null | -0.00001 | 7,271.982642 | 205.149689 |
[
[
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[
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[
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[
1.4158402749999999,
2.5527243003252598,
2.25207005500... | [
[
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[
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4.49368925,
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],
[
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0,
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]
] | [
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm002032642> | Pmmn | Ir-Zn | 0.065635 | null | null | 0.000014 | 7,271.982642 | 199.158066 |
[
[
-1.9287813468951667,
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[
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0,
0
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] | [
[
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[
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0,
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[
0,
0,
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]
] | [
30,
77
] | [
1,
1,
1
] | alex<agm003157802> | R-3m | Ir-Zn | 0.030877 | null | null | 0.000034 | 7,271.982642 | 211.149353 |
[
[
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1.52049362,
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[
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0,
0
]
] | [
[
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[
-1.8620676448569722e-16,
3.04098724,
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[
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] | [
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77
] | [
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1,
1
] | alex<agm002193640> | Pm-3m | Ir-Zn | 0.077035 | null | null | -0.000036 | 7,271.982642 | 211.825272 |
[
[
1.3963956600306904,
1.6525676591979717,
1.6964608275488327
],
[
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0.49453875805639624,
3.7680108412809052
],
[
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2.1146163164127767,
5.509788259656729
],
[
1.3963956600889134,
4.787641121819938,
5.09147824299071
]... | [
[
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0,
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],
[
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4.7997525293673915,
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[
0,
0,
6.4223824
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] | [
30,
30,
30,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003203743> | Cm | Ir-Zn | 0.059866 | null | null | 0.00005 | 7,271.982642 | 212.4431 |
[
[
0,
0,
0
],
[
2.993534024786224,
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[
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-1.044366050050028,
2.94801885
],
[
1.7394820642419986,
2.0887321001000556,
4.0891654225106215
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] | [
[
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[
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0,
-1.8068722774893788
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[
-0.7686218568464516,
4.177464200200111,
4.0891654225106215
]
] | [
3,
3,
20,
12
] | [
1,
1,
1
] | alex<agm003173630> | I-4m2 | Ca-Li-Mg | 0.07872 | null | null | -0.000048 | 1,668.356226 | 26.333851 |
[
[
-10.07672734987227,
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3.880007619814174
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[
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[
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[
-10.647030112546497,
-7.1095437034913935,
5.516154737264... | [
[
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0,
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[
-3.0473059623344736,
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[
-6.09461192356581,
0,
7.201620622967415
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] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003296309> | I-4 | Au-La | 0.04238 | null | null | 0.001306 | 2,425.987832 | 32.556732 |
[
[
-0.6723523848317557,
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-2.3491911438156934
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[
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-1.211380702812208,
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[
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[
0.046567579148627004,
-3.327949757179027,
0.16270655522... | [
[
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0,
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[
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1.7945042536255351
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[
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0,
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]
] | [
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003186094> | C2/m | Ir-Zn | 0 | null | null | 0.000023 | 7,271.982642 | 207.803192 |
[
[
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2.43104251
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[
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[
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0,
0
],
[
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1.6995895741047438,
3.4244541101631816
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] | [
[
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[
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0,
-1.437630909836819
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[
-0.5988037473621717,
3.3991791482094875,
3.4244541101631816
]
] | [
30,
30,
30,
77
] | [
1,
1,
1
] | mp-865362 | I4/mmm | Ir-Zn | 0.001037 | 0 | 145.347534 | null | 5,462.836342 | 142.872375 |
[
[
2.220446049250313e-16,
7.943431591141106,
6.661338147750939e-16
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[
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[
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0,
0
],
[
2.220446049250313e-16,
5.2956210607607375,
4.440892098500626e-16
]
] | [
[
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[
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3.530414040507158,
-2.1619282449999995
],
[
-2.49637970843881,
3.530414040507158,
0
]
] | [
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm002193207> | Fm-3m | Ir-Zn | 0.096051 | null | null | -0 | 5,462.836342 | 141.251221 |
[
[
0,
0,
4.534629912419676
],
[
1.463896805,
0,
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],
[
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2.151535355,
3.854971493290925
],
[
-1.3174354428765572e-16,
2.151535355,
1.5575020320537531
]
] | [
[
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0,
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[
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4.30307071,
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],
[
0,
0,
4.55723654
]
] | [
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm001828496> | Pmm2 | Ir-Zn | 0.059729 | null | null | -0 | 5,462.836342 | 143.501205 |
[
[
-1.179507313156306e-16,
1.926281625,
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[
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0,
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[
1.9262816249999999,
1.926281625,
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[
0,
0,
0
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] | [
[
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0,
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[
-2.359014626312612e-16,
3.85256325,
2.359014626312612e-16
],
[
0,
0,
3.85256325
]
] | [
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm002247038> | Pm-3m | Ir-Zn | 0.030085 | null | null | 0.000116 | 5,462.836342 | 152.247253 |
[
[
1.4530660299999998,
1.868581695,
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[
0,
0,
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],
[
1.4530660299999998,
1.868581695,
1.2759816973176865
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[
0,
0,
0
]
] | [
[
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0,
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[
-2.288352591727086e-16,
3.73716339,
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],
[
0,
0,
5.34988295
]
] | [
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm003190848> | Pmmm | Ir-Zn | 0.09071 | null | null | 0 | 5,462.836342 | 142.273849 |
[
[
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0.2730719073637632,
2.0368705150000004
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[
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[
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1.2797454022730521,
3.84721243106997
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[
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1.574687057726948,
4.300269628930031
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[... | [
[
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0,
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],
[
-3.4956715755213054e-16,
5.70886492,
3.4956715755213054e-16
],
[
0,
0,
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] | [
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003220719> | Pnma | Ir-Zn | 0.066954 | null | null | 0 | 5,462.836342 | 129.818848 |
[
[
2.4006153723003436,
-1.3870148822958144,
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[
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1.3870148822958144,
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[
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0,
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[
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1.8524655655399347,
7.78350699872984
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[
2.73047569... | [
[
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-3.7049311310798694,
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[
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0,
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[
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3.7049311310798694,
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] | [
30,
30,
30,
30,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm002193205> | I4/mmm | Ir-Zn | 0 | null | null | 0.000111 | 5,462.836342 | 150.23848 |
[
[
-2.4673731894645123,
-1.4402264802402402,
-2.586638507384929
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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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-0.48118828... | [
[
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],
[
-2.754321404794049,
0,
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[
0,
0,
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]
] | [
30,
30,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003193630> | R-3m | Ir-Zn | 0.040113 | null | null | -0 | 7,768.648944 | 234.419586 |
[
[
-0.859153275517719,
-1.4652435935812798,
-2.877825787783487
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[
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1.4652435935812806,
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[
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0,
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[
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2.5576023683078724,
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]
] | [
[
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0,
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[
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],
[
0.7138972577497722,
-5.115204736615744,
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]
] | [
57,
57,
57,
79
] | [
1,
1,
1
] | alex<agm003187436> | Immm | Au-La | 0.071016 | null | null | 0.000376 | 2,425.987832 | 29.327465 |
[
[
1.0120808449999998,
1.8859105932983153,
1.755158933233157
],
[
3.0362425350000004,
3.3451945367016847,
6.294929516766844
],
[
1.0120808449999998,
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2.269885291766844
],
[
3.0362425350000004,
0.7296419717016847,
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],
... | [
[
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0,
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],
[
-3.2031280767288997e-16,
5.23110513,
3.2031280767288997e-16
],
[
0,
0,
8.05008845
]
] | [
30,
30,
30,
30,
30,
30,
30,
30,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002326082> | Pnma | Ir-Zn | 0.024095 | null | null | 0 | 6,184.249075 | 159.767639 |
[
[
-0.7710221457016533,
-1.1330551919519949,
-2.351257910283266
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[
-1.9836093304362417,
1.1330551919519949,
-1.3972646576419627
],
[
0,
0,
0
]
] | [
[
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0,
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[
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3.346410155957548,
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],
[
0.47746408202430957,
-3.346410155957548,
-3.1957758264823797
]
] | [
30,
30,
77
] | [
1,
1,
1
] | alex<agm003161424> | Immm | Ir-Zn | 0.075846 | null | null | 0.000037 | 6,184.249075 | 163.330872 |
[
[
0,
0,
2.144196855
],
[
-1.3129419076087857e-16,
2.144196855,
1.3129419076087857e-16
],
[
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0,
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]
] | [
[
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0,
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],
[
-2.6258838152175715e-16,
4.28839371,
2.6258838152175715e-16
],
[
0,
0,
4.28839371
]
] | [
30,
30,
77
] | [
1,
1,
1
] | alex<agm003200998> | P4/mmm | Ir-Zn | 0.007531 | null | null | -0.00007 | 6,184.249075 | 141.41922 |
[
[
2.5162691988494794,
-0.4819826687372654,
2.646000259942209
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[
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[
1.3109527370754435,
1.464789980577358,
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]
] | [
[
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],
[
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0,
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],
[
-0.3257269284221697,
2.929579961154716,
3.9436363798634915
]
] | [
30,
30,
77
] | [
1,
1,
1
] | alex<agm003283458> | I4/mmm | Ir-Zn | 0.061887 | null | null | -0 | 6,184.249075 | 152.736481 |
[
[
0.18169560425962916,
3.1605216525,
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[
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[
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[
2.7584231370094767,
1.0535072175,
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],
[
1.15975053592953... | [
[
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0,
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],
[
-2.580348483580019e-16,
4.21402887,
2.580348483580019e-16
],
[
0,
0,
6.86401289
]
] | [
30,
30,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003200997> | Cmcm | Ir-Zn | 0 | null | null | 0 | 6,184.249075 | 165.879547 |
[
[
7.402680137395709e-17,
-1.2089494117895452,
2.093961805
],
[
-7.402680137395708e-17,
1.208949411789545,
2.093961805
],
[
1.39627825,
0,
4.18792361
]
] | [
[
2.7925565,
0,
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[
-2.2208040412187123e-16,
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],
[
2.2208040412187123e-16,
-3.6268482353686347,
2.0939618049999993
]
] | [
30,
30,
77
] | [
1,
1,
1
] | alex<agm003203852> | P6/mmm | Ir-Zn | 0.064646 | null | null | 0 | 6,184.249075 | 173.910736 |
[
[
1.4187648850047037,
1.0735375221257903,
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],
[
1.4187648850183565,
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],
[
1.4187648708191627,
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],
[
1.1715433917076675e-11,
2.6739300464379645,
-0.368780249529073
... | [
[
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0,
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],
[
-1.4187648849791814,
4.751655439810383,
-1.2096203458840393
],
[
0,
0,
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]
] | [
30,
30,
30,
30,
77,
77
] | [
1,
1,
1
] | alex<agm003203886> | Cm | Ir-Zn | 0.067664 | null | null | 0 | 6,184.249075 | 164.103897 |
[
[
1.5040456814541951,
1.2073888282384226,
2.0912587950000003
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[
1.2966344785458048,
-1.2073888282384229,
2.091258795
],
[
0,
0,
0
]
] | [
[
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0,
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[
-2.2179372957426863e-16,
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],
[
2.2179372957426863e-16,
-3.6221664847152675,
2.091258794999999
]
] | [
30,
30,
77
] | [
1,
1,
1
] | alex<agm003161417> | P-3m1 | Ir-Zn | 0.064547 | null | null | 0.00003 | 6,184.249075 | 170.241989 |
[
[
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[
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[
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11.663223523838553
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[
0.05195987396257222,
-1.884475417434174,
0.3214634761614454... | [
[
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-3.7743675051623566,
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],
[
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0,
-0.6102796734378994
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[
-0.09864279230591781,
3.7743675051623566,
11.3744073265621
]
] | [
30,
30,
30,
30,
30,
30,
30,
30,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003212339> | I4_1/amd | Ir-Zn | 0.057826 | null | null | 0.000196 | 6,184.249075 | 160.486542 |
[
[
-2.3689161447944054,
0,
-4.187691675185668
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[
-3.5533742175854712,
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[
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[
0,
0,
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[
0,
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0
]
] | [
[
-2.3689161455821326,
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],
[
-2.3689161440066773,
4.103083122108895,
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],
[
4.73783228958881,
0,
-1.6750766696286614
]
] | [
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm002324538> | Im-3m | Ir-Zn | 0.064598 | null | null | -0.000193 | 4,949.362679 | 99.578072 |
[
[
-4.494212875535573,
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[
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-2.6168717101152077,
1.0047272541933552
],
[
-4.14749816530235,
-3.5335836280584547,
0.10674421510324043
],
[
-2.055701111106899,
-1.7423820418673883,
0.011581883959093... | [
[
-3.456684415948402,
0,
-1.4928405887617635
],
[
-1.728342208941118,
-4.359253751982596,
-0.7464202943240245
],
[
-3.456684415948402,
0,
3.255570021238236
]
] | [
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm003195054> | I4/m | Ir-Zn | 0.033609 | null | null | 0.000057 | 4,949.362679 | 130.938278 |
[
[
4.25767642,
2.8006942002907342,
1.6169815504556804
],
[
2.12883821,
1.3975957024018977,
2.4207067650000003
],
[
1.681908998371493e-33,
1.0094677417981706e-16,
1.6074504290886413
],
[
2.12883821,
-1.3975957024018986,
2.420706765
],
[
4.25767642,
... | [
[
4.25767642,
0,
2.607074899779081e-16
],
[
-2.567341655172872e-16,
4.192787107205694,
2.4207067650000007
],
[
2.567341655172872e-16,
-4.192787107205694,
2.420706764999999
]
] | [
30,
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm002360087> | P-62m | Ir-Zn | 0.068819 | null | null | -0 | 4,565.248757 | 122.501572 |
[
[
2.3697751513122887e-9,
3.7059817622909734,
0.6624840469191112
],
[
1.455051420557158,
1.5742440014389407,
1.695308496916681
],
[
3.2335148523522393e-10,
0.5056744448116501,
3.7691275806230484
],
[
-1.2504628139908436e-8,
3.1994665028482654,
3.44179222461... | [
[
2.91010281,
0,
1.7819240457281092e-16
],
[
-1.4550514019813288,
4.7207603787446395,
-1.3299418462588035
],
[
0,
0,
6.40609648
]
] | [
30,
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm003197703> | Cm | Ir-Zn | 0.094102 | null | null | 0 | 4,565.248757 | 115.921867 |
[
[
3.0472855568147605,
1.92059223,
3.150104889561572
],
[
2.417897281120667,
0,
1.2203092130239257
],
[
1.8257044472717305,
1.92059223,
-0.5954397275193372
],
[
1.2335116134227941,
0,
3.7821253319373995
],
[
0.604123337728701,
1.92059223,
1.... | [
[
3.6514088945434615,
0,
-1.1908794550386745
],
[
-2.352047126936777e-16,
3.84118446,
2.352047126936777e-16
],
[
0,
0,
6.193314
]
] | [
30,
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm001193426> | Cmmm | Ir-Zn | 0.06995 | null | null | 0.000014 | 4,565.248757 | 125.40387 |
[
[
2.2426038568877757,
2.135869825,
3.5082046301455607
],
[
1.8959009502079769,
0,
1.8577833156385186
],
[
1.2963012022414886,
2.135869825,
6.170825758569826
],
[
0.9729322742190804,
0,
4.631481887630443
],
[
0.32376141248696,
2.135869825,
1... | [
[
2.884006646716964,
0,
-0.6058413295786412
],
[
-2.6156861445816673e-16,
4.27173965,
2.6156861445816673e-16
],
[
0,
0,
7.16733708
]
] | [
30,
30,
30,
30,
30,
77
] | [
1,
1,
1
] | alex<agm003197704> | Amm2 | Ir-Zn | 0.097642 | null | null | -0.000181 | 4,565.248757 | 115.327667 |
[
[
0,
0,
0
],
[
-4.951738347926258,
0,
2.2928610616404206
],
[
-2.491562424621197,
0,
1.1920249098771694
],
[
-7.443300754879278,
-3.77959859594168,
3.4848859781452863
],
[
-1.860825212227146,
-1.9380188533172529,
-0.6404836559111657
],
... | [
[
-3.7216503862737276,
0,
-1.2809672992412056
],
[
-1.8608251945589684,
-5.717617449258933,
-0.6404836492834687
],
[
-3.7216503862737276,
0,
4.765853270758795
]
] | [
30,
30,
30,
30,
30,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003267091> | I4/mmm | Ir-Zn | 0.080038 | null | null | 0 | 6,951.358639 | 194.77475 |
[
[
1.3811985149999997,
1.915486525,
2.018637391016482e-16
],
[
0,
0,
4.09078720994473
],
[
0,
0,
1.3681318800552698
],
[
1.3811985149999997,
1.915486525,
2.729459545
]
] | [
[
2.76239703,
0,
1.6914803403818273e-16
],
[
-2.3457944416511366e-16,
3.83097305,
2.3457944416511366e-16
],
[
0,
0,
5.45891909
]
] | [
30,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003164753> | Pmmm | Ir-Zn | 0.077762 | null | null | -0.000037 | 8,366.509672 | 274.366974 |
[
[
0,
0,
0
],
[
-1.0142810926408476,
-0.5950740292553394,
-2.4356691256048713
],
[
-2.024613379346618,
-1.1878313123191313,
-4.89668129089789
],
[
-3.0349456660523884,
-1.7805885953829232,
-7.357693456190908
]
] | [
[
-1.327718238319185,
-2.3756626246382626,
-0.42404673089788936
],
[
-2.7215085203740514,
0,
-0.42404673089788936
],
[
0,
0,
-8.94526912
]
] | [
30,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003164750> | R-3m | Ir-Zn | 0.042757 | null | null | 0 | 8,366.509672 | 274.421814 |
[
[
-0.8291981834907387,
-3.4876106626139505,
-3.014475196428611
],
[
-0.5214708390058063,
-1.1001211811086145,
-1.8957601945659204
],
[
-2.126424350479403,
1.0393539406122343,
-2.5361476754317307
],
[
-3.064581991525289,
2.850971202132113,
-0.75245891975772... | [
[
-2.65659133703079,
0,
0.730754300074439
],
[
-0.5990328253934936,
4.185942289400434,
-2.177729798340325
],
[
0.5990328253934936,
-4.185942289400434,
-3.0165464316596746
]
] | [
30,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002246634> | Imm2 | Ir-Zn | 0 | null | null | -0 | 8,366.509672 | 270.549622 |
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