pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
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1,
1
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[
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[
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1,
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[
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1,
1
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[
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83
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1,
1,
1
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[
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2.5... | [
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37,
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83
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1,
1,
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[
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31,
31
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1,
1,
1
] | alex<agm001002234> | P4/nmm | Ga-Tb-Ti | 0.049213 | null | null | 0.002972 | 2,537.759604 | 81.058533 |
[
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] | [
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83
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1,
1,
1
] | alex<agm001417092> | Cmcm | Bi-Rb | 0.007934 | null | null | 0 | 6,000 | 10.588556 |
[
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[
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... | [
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] | [
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83,
83
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1,
1,
1
] | mp-1206935 | P-62m | Bi-Fe-Tm | 0 | 0 | null | 0.001986 | 3,851.069997 | 32.843716 |
[
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26,
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83,
83
] | [
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[
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[... | [
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] | [
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69,
69,
69,
69,
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26,
26,
83,
83
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1,
1,
1
] | alex<agm003714951> | C2/m | Bi-Fe-Tm | 0.069825 | null | null | 0.008148 | 3,762.374409 | 61.059368 |
[
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[
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1,
1
] | mp-1208554 | Pnma | Pt-Si-Ta | 0 | 0 | null | null | 6,611.692187 | 214.110596 |
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3.4834645670465894... | [
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44
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1,
1
] | mp-1206906 | Cmcm | Ce-In-Ru | 0 | 0 | null | null | 3,615.361219 | 77.884155 |
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[
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5.866944027846625... | [
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] | [
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44,
44
] | [
1,
1,
1
] | alex<agm002309800> | P-62m | Ce-In-Ru | 0.07944 | null | null | 0.000717 | 3,732.495641 | 84.186882 |
[
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[
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... | [
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] | [
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58,
49,
44,
44
] | [
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1,
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] | alex<agm002352521> | Immm | Ce-In-Ru | 0.084599 | null | null | 0.000009 | 4,547.087527 | 110.510887 |
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... | [
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] | [
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65,
22,
22,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003739866> | Cmcm | Ga-Tb-Ti | 0.08317 | null | null | 0.000178 | 2,263.096567 | 72.437622 |
[
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[
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] | [
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58,
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44,
44
] | [
1,
1,
1
] | alex<agm003394161> | C2/m | Ce-In-Ru | 0.052224 | null | null | -0.000159 | 4,547.087527 | 92.991531 |
[
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58,
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49,
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44
] | [
1,
1,
1
] | alex<agm003740936> | C2/c | Ce-In-Ru | 0.048596 | null | null | 0.000825 | 3,575.226701 | 76.334579 |
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] | [
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] | alex<agm001121798> | P4/mmm | Ce-In-Ru | 0.092983 | null | null | 0.001381 | 3,843.65718 | 78.778137 |
[
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[... | [
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] | alex<agm003675606> | C2/m | Ce-In-Ru | 0.07633 | null | null | 0.000005 | 5,101.070601 | 115.675652 |
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44,
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1,
1,
1
] | alex<agm003518427> | C2/m | Ce-In-Ru | 0.080276 | null | null | 0.01267 | 3,701.011624 | 78.027222 |
[
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1,
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] | alex<agm003571485> | R-3m | Ce-In-Ru | 0.077996 | null | null | 0.003431 | 3,190.453888 | 66.619705 |
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] | alex<agm003527649> | C2/m | Ce-In-Ru | 0.047262 | null | null | 0.019753 | 3,267.151913 | 71.433701 |
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] | mp-1217721 | P-1 | Al-Fe-Tb | 0.037656 | 0 | null | 0.020883 | 2,501.891748 | 92.047554 |
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] | mp-1217598 | Amm2 | Al-Fe-Tb | 0.052917 | 0 | null | 0.029205 | 2,472.920179 | 93.943871 |
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] | mp-1217609 | Amm2 | Al-Fe-Tb | 0.050086 | 0 | null | 0.030107 | 2,472.920179 | 93.579926 |
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] | alex<agm002316630> | Immm | Cu-Si-Zr | 0.007106 | null | null | 0 | 1,882.48823 | 140.674866 |
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] | alex<agm002197025> | C2/m | Al-Fe-Tb | 0.074656 | null | null | 0.021622 | 2,472.920179 | 84.484215 |
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] | mp-1217840 | Immm | Al-Fe-Tb | 0 | 0 | null | 0.055308 | 1,713.191388 | 141.993942 |
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] | mp-1217687 | R-3m | Al-Fe-Tb | 0.029591 | 0 | null | null | 2,517.297182 | 93.787987 |
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[
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] | mp-1217593 | Imm2 | Al-Fe-Tb | 0.012243 | 0 | null | 0.043766 | 1,710.395903 | 133.565796 |
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26,
26
] | [
1,
1,
1
] | mp-3546 | I4/mmm | Al-Fe-Tb | 0 | 0 | null | 0.028761 | 1,707.330632 | 125.590027 |
[
[
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[
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[
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[
0.22456209069854635,
-1.4815482215785358,
-8.23484372399249... | [
[
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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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65,
65,
65,
65,
65,
65,
65,
13,
13,
26
] | [
1,
1,
1
] | alex<agm003533983> | C2/m | Al-Fe-Tb | 0.056744 | null | null | -0.000139 | 2,949.22001 | 67.591606 |
[
[
0,
0,
0
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[
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[
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[
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[
-2.273528483405894,
-1.39813299702... | [
[
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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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13,
13,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm003540681> | R-3m | Al-Fe-Tb | 0.077742 | null | null | 0.107244 | 1,747.435566 | 149.869751 |
[
[
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5.71902117
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[
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[
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[
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[
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[
2.006076895... | [
[
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0,
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[
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[
0,
0,
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] | [
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65,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002196193> | Pmma | Al-Fe-Tb | 0 | null | null | -0.000115 | 2,103.455507 | 88.313828 |
[
[
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0,
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[
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[
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[
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[
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1.8509445,
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],
[
1.8509445,
... | [
[
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0,
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[
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3.701889,
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[
0,
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] | [
40,
40,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-19953 | P4/nmm | Cu-Si-Zr | 0.018211 | 0 | 128.83247 | 0.000006 | 1,842.564509 | 134.784775 |
[
[
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[
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[
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[
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[
3.1622823... | [
[
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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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65,
13,
13,
13,
13,
13,
13,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002251675> | Cmcm | Al-Fe-Tb | 0.067209 | null | null | 0.00169 | 2,103.455507 | 99.439781 |
[
[
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[
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[
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[
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[
-2.3... | [
[
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0,
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[
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[
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] | [
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65,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm002329284> | Pmma | Al-Fe-Tb | 0 | null | null | 0.053787 | 2,271.583304 | 106.154755 |
[
[
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[
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[
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[
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[
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3.2690528544... | [
[
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[
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[
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] | [
65,
65,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002249816> | Immm | Al-Fe-Tb | 0.058358 | null | null | 0.021197 | 2,559.973228 | 87.340897 |
[
[
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[
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[
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[
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-5.79663784995... | [
[
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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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65,
65,
13,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm003587538> | R3m | Al-Fe-Tb | 0.043426 | null | null | 0.075522 | 2,241.359149 | 109.744835 |
[
[
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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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2.65904992
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[
4.00497304,
1... | [
[
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[
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[
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] | [
65,
13,
13,
13,
26,
26
] | [
1,
1,
1
] | alex<agm002195739> | P6/mmm | Al-Fe-Tb | 0.069029 | null | null | 0.030749 | 2,076.40025 | 117.069244 |
[
[
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[
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[
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[
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[
-1.423487667... | [
[
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[
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[
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0
]
] | [
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13,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm002327664> | F-43m | Al-Fe-Tb | 0.069227 | null | null | 0.081009 | 2,033.737573 | 121.093361 |
[
[
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[
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[
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[
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[
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2.10775349,
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[
2.10775... | [
[
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[
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4.21550698,
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[
0,
0,
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] | [
65,
13,
13,
13,
13,
13,
26
] | [
1,
1,
1
] | alex<agm002249161> | P4/mmm | Al-Fe-Tb | 0.024389 | null | null | -0.000004 | 2,018.311679 | 94.218277 |
[
[
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[
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[
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[
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[
2.171563924346525e-8,
3.3833325921230935,... | [
[
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[
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[
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0,
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] | [
65,
65,
65,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm002248082> | C2/m | Al-Fe-Tb | 0.087088 | null | null | 0.025395 | 2,446.166349 | 93.730881 |
[
[
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[
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[
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[
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[
2.9568592499999995,
5.43... | [
[
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0,
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[
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6.542583,
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[
0,
0,
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] | [
40,
40,
40,
40,
29,
29,
29,
29,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-22522 | Pnma | Cu-Si-Zr | 0.003758 | 0 | 146.550942 | 0.000011 | 1,971.977326 | 142.766434 |
[
[
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[
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[
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[
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[
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],
[
2.11595193,
2.11595193,
7.758962... | [
[
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0,
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[
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4.23190386,
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[
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0,
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] | [
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65,
13,
13,
13,
13,
13,
13,
13,
13,
26
] | [
1,
1,
1
] | alex<agm003534651> | P4/mmm | Al-Fe-Tb | 0.025215 | null | null | -0 | 2,170.090408 | 90.646584 |
[
[
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[
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[
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[
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-0.6413254594605432,
-0.833677403950114... | [
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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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26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | alex<agm003303287> | R-3m | Al-Fe-Tb | 0.033241 | null | null | 0.110261 | 1,828.909279 | 155.506012 |
[
[
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[
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[
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],
[
1.862117215,
5.804693151127893e-17,
2.039857080279341... | [
[
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[
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[
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] | [
65,
65,
65,
65,
65,
65,
13,
13,
26
] | [
1,
1,
1
] | alex<agm002133400> | P-62m | Al-Fe-Tb | 0.066945 | null | null | -0.000078 | 2,904.150121 | 66.580925 |
[
[
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[
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[
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[
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],
[
-2.8727305341232... | [
[
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[
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[
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] | [
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24,
24,
24,
24,
51,
51,
51,
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51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1209908 | Pbcm | Cr-Nd-Sb | 0 | 0 | null | null | 3,387.755818 | 65.289505 |
[
[
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[
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[
2.75221918461157,
-1.566039684086737,
1.128... | [
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[
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] | [
38,
13,
13,
31,
31
] | [
1,
1,
1
] | mp-1207102 | I4/mmm | Al-Ga-Sr | 0 | 0 | null | null | 2,070.143357 | 53.893898 |
[
[
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[
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[
3.004493813470025,
1.040877940272481... | [
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[
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] | [
38,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm002907894> | I4/mmm | Al-Ga-Sr | 0.056091 | null | null | 0 | 2,070.143357 | 49.197895 |
[
[
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[
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[
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[
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[
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],
[
-1.3630291136260041e-16,
... | [
[
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[
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4.45199094,
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[
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0,
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] | [
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38,
13,
13,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002328109> | P4/nmm | Al-Ga-Sr | 0.025568 | null | null | 0.000193 | 2,070.143357 | 52.2248 |
[
[
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[
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[
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[
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[
-2.1... | [
[
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[
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[
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] | [
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31
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1,
1
] | mp-1218855 | P-6m2 | Al-Ga-Sr | 0.015602 | 0 | null | null | 2,309.539354 | 43.61639 |
[
[
-2.202094135,
1.2713796416231462,
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],
[
0,
0,
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],
[
-2.2020941350000003,
-1.2713796416231464,
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]
] | [
[
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[
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3.814138924869438,
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[
0,
0,
-4.832498
]
] | [
38,
13,
31
] | [
1,
1,
1
] | mp-1218356 | P-6m2 | Al-Ga-Sr | 0.029709 | 0 | null | -0.000036 | 2,291.150391 | 41.091534 |
[
[
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0,
5.670789101051145
],
[
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1.877867605,
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[
0,
0,
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[
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[
1.877867605,
0,
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],
[
-1.149862... | [
[
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0,
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[
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3.75573521,
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[
0,
0,
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]
] | [
40,
40,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm002382343> | P4/nmm | Cu-Si-Zr | 0.003841 | null | null | -0.000058 | 1,971.977326 | 140.024246 |
[
[
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0,
7.617922781415389
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[
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2.254166975,
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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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]
] | [
38,
38,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003032925> | Pmm2 | Al-Ga-Sr | 0.051473 | null | null | 0.000012 | 2,291.150391 | 46.715523 |
[
[
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2.208254825,
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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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2.208254825,
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[
2.... | [
[
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0,
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[
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4.41650965,
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],
[
0,
0,
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]
] | [
38,
38,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003201214> | P4/nmm | Al-Ga-Sr | 0 | null | null | 0 | 2,291.150391 | 50.701736 |
[
[
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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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]
] | [
38,
38,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003032915> | Imma | Al-Ga-Sr | 0.070449 | null | null | 0 | 2,291.150391 | 49.843182 |
[
[
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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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7.84150159,
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[
0,
0,
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] | [
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38,
38,
38,
13,
13,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002252385> | Pnma | Al-Ga-Sr | 0.020989 | null | null | -0.000009 | 2,291.150391 | 46.129547 |
[
[
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0,
2.814456045305203
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[
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2.221955295,
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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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4.44391059,
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[
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0,
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] | [
38,
38,
13,
13,
13,
13,
13,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003343479> | P-4m2 | Al-Ga-Sr | 0.025269 | null | null | 0.000179 | 2,037.386449 | 49.530853 |
[
[
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[
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[
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[
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[
1.... | [
[
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0,
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[
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6.162131715616317,
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[
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0,
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]
] | [
38,
38,
38,
38,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003629501> | P2_1/m | Al-Ga-Sr | 0.029882 | null | null | 0 | 2,519.540352 | 30.264128 |
[
[
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0,
8.210686383327857
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[
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[
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[
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2.224771045,
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],
[
2.224771045,
0,
4.0280795... | [
[
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0,
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],
[
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4.44954209,
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[
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0,
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] | [
38,
38,
13,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003510921> | P-4m2 | Al-Ga-Sr | 0.003804 | null | null | 0 | 2,144.074862 | 49.168098 |
[
[
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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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2.090533315,
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[
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0,
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[
2.090533315,
2.... | [
[
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0,
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],
[
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4.18106663,
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],
[
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0,
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]
] | [
38,
13,
13,
13,
13,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003483974> | P4/mmm | Al-Ga-Sr | 0.060889 | null | null | 0 | 1,773.203124 | 66.350243 |
[
[
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[
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[
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0,
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[
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[
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0,
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[
1.719133970152... | [
[
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0,
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[
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[
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0,
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]
] | [
38,
13,
13,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003461890> | Cmmm | Al-Ga-Sr | 0.062993 | null | null | -0 | 1,897.756548 | 61.432983 |
[
[
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[
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[
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[
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[
-1.... | [
[
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0,
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[
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[
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]
] | [
40,
40,
40,
29,
29,
29,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002187455> | P-62m | Cu-Si-Zr | 0.073227 | null | null | 0.000001 | 1,971.977326 | 137.159332 |
[
[
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0,
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[
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2.234696125,
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[
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0,
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[
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[
0,
0,
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],
[
2.23469612... | [
[
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0,
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],
[
-2.736713456548244e-16,
4.46939225,
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],
[
0,
0,
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]
] | [
38,
38,
13,
13,
13,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003343480> | P-4m2 | Al-Ga-Sr | 0.040043 | null | null | 0.000028 | 2,098.270374 | 47.824314 |
[
[
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],
[
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[
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[
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],
[
2.3444959262169743e-8,
2.999731747398... | [
[
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0,
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],
[
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],
[
0,
0,
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]
] | [
38,
38,
38,
13,
13,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003339565> | C2/m | Al-Ga-Sr | 0.050172 | null | null | -0.000001 | 2,276.323717 | 44.103722 |
[
[
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[
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[
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],
[
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0.9864756211696363,
9.474877515853153
... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
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38,
38,
38,
38,
38,
13,
13,
13,
13,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003331262> | Cmcm | Al-Ga-Sr | 0.005516 | null | null | -0.000001 | 2,357.381852 | 38.075882 |
[
[
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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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-10.73384551
],
... | [
[
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],
[
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],
[
0,
0,
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]
] | [
38,
38,
38,
38,
38,
13,
13,
13,
13,
13,
31
] | [
1,
1,
1
] | alex<agm002249165> | P-6m2 | Al-Ga-Sr | 0.016912 | null | null | -0 | 2,460.877332 | 35.078793 |
[
[
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0
],
[
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[
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-3.564756977515628
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[
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-4.913938086877461,
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],
[
-4.5582158384675315,
-2.06052002556... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
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13,
13,
13,
13,
13,
13,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003685630> | R-3m | Al-Ga-Sr | 0.084793 | null | null | 0.000001 | 1,854.594937 | 58.089333 |
[
[
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[
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[
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],
[
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1.7670796950000003
]... | [
[
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0,
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],
[
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],
[
0,
0,
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]
] | [
38,
38,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002197041> | Cmcm | Al-Ga-Sr | 0.099266 | null | null | 0 | 2,183.7997 | 50.721684 |
[
[
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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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38,
38,
38,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003391836> | C2/m | Al-Ga-Sr | 0.036776 | null | null | 0.000163 | 2,393.112737 | 37.164463 |
[
[
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[
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[
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[
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],
[
... | [
[
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0,
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],
[
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6.046295007934215,
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],
[
0,
0,
11.0753174
]
] | [
38,
38,
38,
38,
13,
13,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003403361> | C2/m | Al-Ga-Sr | 0.056837 | null | null | 0 | 2,382.384247 | 37.594517 |
[
[
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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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],
[
-5.542636529545155,
0,
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]
] | [
38,
38,
38,
38,
38,
38,
38,
38,
13,
13,
31
] | [
1,
1,
1
] | alex<agm003531020> | C2/m | Al-Ga-Sr | 0.034263 | null | null | 0.000075 | 2,776.120375 | 19.896914 |
[
[
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[
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5.220020505
],
[
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],
[
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],... | [
[
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0,
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],
[
-3.2189836828040956,
5.632527418438894,
3.9724275174074053e-16
],
[
0,
0,
10.44004101
]
] | [
3,
20,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | mp-1028194 | Amm2 | Ca-Li-Mg | 0.055757 | 0 | null | 0 | 669.794908 | 35.759205 |
[
[
-1.8179632864908368,
-4.113069099501193,
-6.358364303214956
],
[
2.5289118153702606,
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],
[
1.6107066110143082,
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-4.804935581494848
],
[
0.32982339391486304,
-1.5645199842995814,
-9.284851098195567... | [
[
5.517952969718473,
0,
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[
0.739662173955465,
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2.5869837968710043
],
[
-5.517952969718473,
0,
-8.860739708145935
]
] | [
38,
38,
38,
38,
38,
38,
38,
38,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003531021> | C2/m | Al-Ga-Sr | 0.029115 | null | null | -0.00014 | 2,760.944597 | 17.652487 |
[
[
2.2992689304019716,
1.4037692285072194,
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[
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0,
0
],
[
1.1820222446820562e-9,
4.127873258099077,
1.6181952658504868
],
[
2.2992689535385824,
1.9063742095238427,
2.4217183666960658
],
[
-2.1954588940517484e-8,
3.6252682770... | [
[
4.59853786,
0,
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[
-2.299268928416007,
5.531642486606297,
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[
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0,
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]
] | [
38,
38,
38,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003339564> | C2/m | Al-Ga-Sr | 0.032939 | null | null | 0.000217 | 2,303.849491 | 43.961182 |
[
[
3.047557768417411,
4.082347759898459,
6.100003069108707
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[
3.898408993598537,
1.4758003942219098,
2.9639856304996712
],
[
2.1967065432362842,
6.688895125575009,
9.236020507717742
],
[
2.9728679259271336,
0.6970058499548585,
6.375290501472137
],
[
... | [
[
4.380152233748934,
0,
1.188404709496638
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[
1.7149633030858875,
8.164695519796918,
2.345345238720775
],
[
0,
0,
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] | [
38,
38,
38,
13,
13,
13,
13,
13,
13,
13,
13,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003376555> | Immm | Al-Ga-Sr | 0.089854 | null | null | 0.000118 | 2,037.929205 | 51.375359 |
[
[
0,
0,
0
],
[
1.2091184596831261,
1.4223281729431976,
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],
[
2.65647269821909,
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1.028109862114308
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[
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[
2.7436123599313778,
0.9537920304232089,
... | [
[
0.6223240339811372,
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[
3.865591157902216,
0,
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[
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]
] | [
71,
14,
14,
76,
76
] | [
1,
1,
1
] | mp-12101 | I4/mmm | Lu-Os-Si | 0 | 0 | null | null | 6,639.581392 | 186.387268 |
[
[
1.765371065,
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2.8311403951896823
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[
1.7653710649999999,
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],
[
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[
1.765371065,
0,
7.03254068
],
[
3.5307421300000006,
-2.0301... | [
[
3.53074213,
0,
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],
[
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],
[
3.72926925526681e-16,
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]
] | [
71,
71,
71,
14,
14,
14,
76,
76,
76
] | [
1,
1,
1
] | alex<agm002317296> | P-62m | Lu-Os-Si | 0.015232 | null | null | 0.000103 | 5,852.22124 | 170.733643 |
[
[
-3.7587422885710264,
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[
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[
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0,
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],
[
-0.7163899312463686,
-2.179560416950755,
-1.169... | [
[
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[
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0,
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[
0,
0,
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]
] | [
71,
71,
14,
76,
76,
76
] | [
1,
1,
1
] | alex<agm002382393> | R-3m | Lu-Os-Si | 0.086987 | null | null | 0.000208 | 6,647.092603 | 199.943634 |
[
[
1.329488208748885,
3.455788223039304,
3.417821306439008
],
[
2.2060744493268722,
3.8513973771495604,
8.696418578680753
],
[
4.70988247247276,
1.7407462325004375,
7.289473755387048
],
[
3.833296231894773,
1.345137078390181,
2.0108764831453043
],
[
... | [
[
4.080972110322164,
0,
0.9932847041536139
],
[
1.9583985708994809,
5.196534455539742,
0.8339038876724436
],
[
0,
0,
8.88010647
]
] | [
71,
71,
71,
71,
14,
14,
14,
14,
76,
76
] | [
1,
1,
1
] | alex<agm002240306> | C2/m | Lu-Os-Si | 0 | null | null | 0.000013 | 4,816.184527 | 133.006897 |
[
[
-0.01730028092673598,
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-0.039679647895041185
],
[
1.151123449187758,
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],
[
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1.0034231096701824,
-2.7699062830967422
],
[
1.3760409049478943,
1.5978565352280552,
-2.19266488... | [
[
-0.5730405342274313,
3.820026129192344,
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],
[
3.862767800629479,
0,
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],
[
-3.2897272664020476,
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]
] | [
71,
14,
14,
14,
76
] | [
1,
1,
1
] | alex<agm002316432> | I4mm | Lu-Os-Si | 0.035875 | null | null | 0.000054 | 5,245.808966 | 129.146759 |
[
[
3.024648495,
0.35790993849020386,
1.563638137234584
],
[
1.0082161649999999,
3.957735469402371,
5.642342900401108
],
[
3.024648495,
3.620874875606893,
3.364478089225025
],
[
1.008216165,
0.6947705322856821,
3.841502948410666
],
[
1.00821616499999... | [
[
4.03286466,
0,
2.4694173986317396e-16
],
[
-2.6425706675153076e-16,
4.315645407892575,
-0.8893922523643089
],
[
0,
0,
8.09537329
]
] | [
71,
71,
14,
14,
14,
14,
76,
76
] | [
1,
1,
1
] | alex<agm002240312> | P2_1/m | Lu-Os-Si | 0.007407 | null | null | -0.00009 | 5,528.805462 | 141.642349 |
[
[
0.5748432620530103,
0.6183978063433249,
2.128976779745824
],
[
3.0563236375206824,
-0.6183978063433246,
4.104953704892726
],
[
3.4988018715627573,
1.810751988125257,
5.743706296957824
],
[
1.815583449786846,
0,
6.724154672319275
],
[
2.3586455586... | [
[
0.264730056021871,
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0.9804483753614505
],
[
3.6311668995736928,
0,
-0.9804483753614505
],
[
-0.264730056021871,
3.621503976250514,
6.23393048463855
]
] | [
40,
40,
29,
29,
14,
14
] | [
1,
1,
1
] | alex<agm003201630> | I4/mmm | Cu-Si-Zr | 0 | null | null | -0 | 1,971.977326 | 137.951263 |
[
[
0,
0,
0
],
[
4.300521594035564,
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3.708806391037979e-16
],
[
4.550325629285403,
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3.197934724090205
],
[
2.3699244059008375,
4.735387749523471,
2.117760017435615
],
[
5.521994251479809,
-0.09257700381352281,... | [
[
1.6807931528848858,
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3.4104997984741807
],
[
6.920250035186242,
0,
-3.4104997984741807
],
[
-1.6807931528848858,
6.713031723946377,
5.315694741525819
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-1207987 | I4/mcm | Bi-Pd-Tm | 0 | 0 | null | null | 4,401.989966 | 62.598854 |
[
[
4.440892098500626e-16,
5.7887407007015685,
1.8171647575560008e-16
],
[
0,
0,
0
],
[
5.551115123125783e-16,
8.683111051052352,
5.551115123125783e-16
]
] | [
[
1.364419267998882,
3.859160467134379,
2.3632434950000003
],
[
1.364419267998882,
3.859160467134379,
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],
[
-2.7288385359977636,
3.859160467134379,
0
]
] | [
69,
83,
46
] | [
1,
1,
1
] | mp-1206744 | F-43m | Bi-Pd-Tm | 0 | 0 | null | 0.000017 | 5,427.938447 | 85.957024 |
[
[
0,
0,
-0.1930168618413177
],
[
0,
0,
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[
-2.3387715550000006,
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],
[
-2.338771555,
1.35029038685229,
-6.022305305335732
],
[
-2.3387715550000006,
-1.35029038685229,
-5.109092435442... | [
[
-2.3387715550000006,
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],
[
-2.3387715549999997,
4.050871160556869,
2.864169098767628e-16
],
[
0,
0,
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]
] | [
69,
69,
83,
83,
46,
46
] | [
1,
1,
1
] | alex<agm002234809> | P6_3mc | Bi-Pd-Tm | 0.095963 | null | null | 0 | 5,427.938447 | 87.037506 |
[
[
0,
0,
0
],
[
4.440892098500626e-16,
5.97838813293461,
8.881784197001252e-16
],
[
5.349320090118714e-16,
2.9891940664673045,
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],
[
6.661338147750939e-16,
8.967582199401914,
8.881784197001252e-16
]
] | [
[
1.409119596454415,
3.9855920886230725,
2.4406667350000006
],
[
1.409119596454415,
3.9855920886230725,
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],
[
-2.8182391929088295,
3.9855920886230725,
0
]
] | [
69,
83,
46,
46
] | [
1,
1,
1
] | mp-972400 | Fm-3m | Bi-Pd-Tm | 0.078118 | 0 | null | 0.000002 | 5,891.275992 | 84.119156 |
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