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,
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3.9506598199... | [
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1,
1,
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] | mp-1205816 | P4/mbm | Mg-Si-Tb | 0 | 0 | null | -0 | 2,645.21728 | 67.702217 |
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[
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1,
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1,
1,
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] | alex<agm003160611> | P-6m2 | Ag-Ba-Sb | 0.026376 | null | null | -0 | 2,400.433568 | 38.883667 |
[
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] | mp-984720 | Fm-3m | Ag-Ba-Sb | 0.024481 | 0.2433 | null | -0 | 2,373.083325 | 32.01403 |
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34
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1,
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] | alex<agm005111263> | R3m | Al-Na-Se | 0.06901 | null | null | 0 | 1,628.372185 | 36.703354 |
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] | [
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] | alex<agm003166584> | Amm2 | Ag-Ba-Sb | 0.062523 | null | null | -0.000057 | 2,373.083325 | 28.684898 |
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] | alex<agm002247569> | P4/nmm | Ag-Ba-Sb | 0.080347 | null | null | 0.000111 | 2,649.468607 | 33.159588 |
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] | alex<agm002132810> | P4/nmm | Ag-Ba-Sb | 0 | null | null | -0 | 2,423.552281 | 51.776699 |
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0.598210457930014... | [
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] | alex<agm003426099> | C2/m | Ag-Ba-Sb | 0.024629 | null | null | -0.000005 | 2,266.82222 | 36.735485 |
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] | alex<agm003483863> | P4/mmm | Ag-Ba-Sb | 0.041686 | null | null | 0.000019 | 1,993.969765 | 49.388077 |
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[
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1.658... | [
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] | mp-1189616 | P6_322 | Fe-S-Ta | 0 | 0 | null | 0.005891 | 3,635.823705 | 68.539619 |
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16,
16
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1,
1
] | mp-615821 | P-62m | Fe-S-Ta | 0.019891 | 0 | null | 0.000087 | 4,225.219019 | 117.548386 |
[
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16
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1,
1
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[
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[
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27,
27
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1,
1,
1
] | mp-1205952 | P-6 | Co-Er-In | 0 | 0 | null | -0.00348 | 2,588.054614 | 71.387444 |
[
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34,
34,
34
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1,
1
] | alex<agm003110299> | P2_1 | Al-Na-Se | 0.034724 | null | null | 0 | 1,628.372185 | 25.458094 |
[
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0.48395903822291003... | [
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1,
1
] | mp-1213258 | Immm | Co-Er-In | 0 | 0 | null | null | 2,959.698293 | 67.471375 |
[
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[
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[
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[
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49,
49,
49,
49,
27
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1,
1,
1
] | mp-12872 | P4/mmm | Co-Er-In | 0.005849 | 0 | null | -0.000031 | 2,281.448391 | 54.090492 |
[
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[
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68,
49,
27,
27
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1,
1,
1
] | alex<agm002205508> | Cmmm | Co-Er-In | 0 | null | null | 0.010778 | 2,794.20729 | 84.473221 |
[
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[
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[
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[
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[
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] | [
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68,
49,
27
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1,
1,
1
] | alex<agm001153902> | P4/mmm | Co-Er-In | 0.026807 | null | null | -0.001069 | 2,805.130511 | 76.741096 |
[
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[
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[
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[
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3.8677499971905553... | [
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] | [
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68,
68,
49,
49,
27
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1,
1,
1
] | alex<agm003419733> | Cmmm | Co-Er-In | 0.083493 | null | null | -0.000008 | 2,750.567207 | 58.683941 |
[
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[
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[
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68,
49,
49,
49,
49,
49,
49,
49,
49,
27,
27
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1,
1,
1
] | alex<agm002206283> | Pmma | Co-Er-In | 0.090652 | null | null | -0.000176 | 2,328.592125 | 58.819889 |
[
[
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[
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[
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1.942728375367384... | [
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27,
27,
27
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1,
1,
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] | alex<agm002263495> | I-42m | Co-Er-In | 0.083048 | null | null | 0.015554 | 2,319.624431 | 89.228859 |
[
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34,
34,
34,
34
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1,
1,
1
] | alex<agm003110306> | C2/c | Al-Na-Se | 0.008918 | null | null | -0 | 1,628.372185 | 23.394033 |
[
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[
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68,
68,
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49,
49,
27,
27
] | [
1,
1,
1
] | alex<agm002205473> | C2/m | Co-Er-In | 0.039622 | null | null | -0.000085 | 2,658.088259 | 74.656433 |
[
[
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[
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49,
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1,
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] | alex<agm003711346> | P2_1/m | Co-Er-In | 0.053163 | null | null | 0.000015 | 2,878.139419 | 77.866432 |
[
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[
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68,
68,
49,
49,
27
] | [
1,
1,
1
] | alex<agm002263935> | P-62m | Co-Er-In | 0.044015 | null | null | 0.000007 | 2,886.264283 | 67.505814 |
[
[
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[
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[
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[
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[
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] | [
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68,
49,
49,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002205506> | Pmma | Co-Er-In | 0.01007 | null | null | 0.033148 | 2,666.322734 | 110.723183 |
[
[
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[
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[
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27
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1,
1,
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] | alex<agm002205486> | P2/m | Co-Er-In | 0.016254 | null | null | 0.003503 | 2,601.359772 | 55.673775 |
[
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[
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[
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] | [
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68,
49,
49,
27,
27
] | [
1,
1,
1
] | alex<agm002206296> | C2/m | Co-Er-In | 0.044588 | null | null | 0.00867 | 2,660.502647 | 79.594437 |
[
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[
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[
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] | [
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68,
68,
68,
49,
49,
49,
49,
27,
27,
27,
27
] | [
1,
1,
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] | alex<agm002265087> | Pnma | Co-Er-In | 0.046295 | null | null | -0.000161 | 2,660.502647 | 92.517685 |
[
[
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68,
68,
68,
68,
68,
49,
27,
27
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1,
1,
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] | alex<agm003536280> | C2/m | Co-Er-In | 0.091753 | null | null | 0.000518 | 2,989.577813 | 80.47142 |
[
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] | alex<agm002206267> | Cmcm | Co-Er-In | 0.047992 | null | null | -0.000006 | 2,494.129453 | 80.023979 |
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[
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[
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6.71... | [
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1,
1
] | mp-1206022 | F-43m | Cd-Cu-Tm | 0 | 0 | null | 0.000009 | 1,962.743267 | 104.450356 |
[
[
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[
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[
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11,
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34,
34,
34,
34
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1,
1,
1
] | alex<agm002347508> | I-42d | Al-Na-Se | 0 | null | null | 0 | 1,628.372185 | 25.571318 |
[
[
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[
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[
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[
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29,
29,
29
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1,
1,
1
] | mp-1205861 | P4/mbm | Cd-Cu-Tm | 0 | 0 | null | null | 2,397.355245 | 62.426487 |
[
[
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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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69,
48,
29
] | [
1,
1,
1
] | alex<agm001124942> | P4/mmm | Cd-Cu-Tm | 0.014101 | null | null | 0 | 2,508.333282 | 46.397846 |
[
[
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[
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[
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0
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] | [
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69,
48,
29
] | [
1,
1,
1
] | alex<agm001089897> | Fm-3m | Cd-Cu-Tm | 0.065116 | null | null | -0.000001 | 2,508.333282 | 43.379925 |
[
[
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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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69,
48,
29
] | [
1,
1,
1
] | alex<agm001203348> | P4/mmm | Cd-Cu-Tm | 0.067923 | null | null | -0.000001 | 2,508.333282 | 44.596489 |
[
[
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[
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[
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[
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[
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003301203> | R-3m | Cd-Cu-Tm | 0.062391 | null | null | 0 | 1,826.955257 | 102.47551 |
[
[
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[
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[
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[
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[
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[
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... | [
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[
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[
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] | [
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69,
69,
69,
69,
48,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003641000> | P4/mmm | Cd-Cu-Tm | 0.006345 | null | null | -0.000001 | 2,597.19205 | 55.83934 |
[
[
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[
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[
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[
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] | [
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69,
69,
69,
69,
69,
69,
69,
48,
48,
29
] | [
1,
1,
1
] | alex<agm003528163> | C2/m | Cd-Cu-Tm | 0.070571 | null | null | 0.002241 | 2,791.21824 | 38.23304 |
[
[
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[
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[
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[
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[
2.909681279... | [
[
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[
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[
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] | [
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69,
69,
69,
48,
48,
48,
48,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002335390> | Pnma | Cd-Cu-Tm | 0.028877 | null | null | 0.000333 | 2,218.52378 | 57.532761 |
[
[
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[
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[
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[
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[
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[
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[
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] | [
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11,
13,
13,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003110298> | Cmc2_1 | Al-Na-Se | 0.026938 | null | null | 0 | 1,628.372185 | 26.980244 |
[
[
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[
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[
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] | [
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69,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm003606322> | C2/m | Cd-Cu-Tm | 0.045396 | null | null | 0.000115 | 2,218.52378 | 51.326675 |
[
[
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[
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[
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] | [
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48,
29,
29
] | [
1,
1,
1
] | alex<agm003635229> | Fm-3m | Cd-Cu-Tm | 0.069074 | null | null | 0.000013 | 2,106.733495 | 76.471268 |
[
[
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[
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[
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] | [
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69,
69,
48,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003587752> | P3m1 | Cd-Cu-Tm | 0.037754 | null | null | -0 | 2,199.197279 | 95.023384 |
[
[
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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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69,
69,
69,
69,
48,
48,
48,
48,
29
] | [
1,
1,
1
] | alex<agm003640999> | P4/mmm | Cd-Cu-Tm | 0.022844 | null | null | -0 | 2,429.067728 | 35.16613 |
[
[
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[
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[
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] | [
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69,
48,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm003306807> | Cmmm | Cd-Cu-Tm | 0.037723 | null | null | -0 | 2,089.81146 | 58.692108 |
[
[
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[
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[
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[
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[
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[
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] | [
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] | [
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69,
69,
48,
48,
29
] | [
1,
1,
1
] | alex<agm003436690> | P4/mmm | Cd-Cu-Tm | 0.019559 | null | null | 0.000001 | 2,463.214408 | 42.704212 |
[
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[
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[
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[
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[
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] | [
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[
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] | [
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69,
69,
48,
29,
29
] | [
1,
1,
1
] | alex<agm002334746> | P4/mmm | Cd-Cu-Tm | 0.0112 | null | null | 0.000256 | 2,556.406352 | 52.785309 |
[
[
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[
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[
-2.545001... | [
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[
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[
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] | [
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69,
69,
69,
48,
48,
48,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm003366722> | P2/m | Cd-Cu-Tm | 0.033116 | null | null | 0.000292 | 2,209.780507 | 49.569508 |
[
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[
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[
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[
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] | [
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48,
48,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003537781> | R-3m | Cd-Cu-Tm | 0.021524 | null | null | 0.000023 | 1,733.340879 | 107.154686 |
[
[
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[
-0... | [
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[
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] | [
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46,
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46
] | [
1,
1,
1
] | alex<agm003536136> | C2/m | In-P-Pd | 0.039603 | null | null | -0.000061 | 7,155.204497 | 149.217178 |
[
[
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[
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[
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] | [
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34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003110300> | C2/m | Al-Na-Se | 0.02589 | null | null | 0.000003 | 1,628.372185 | 23.091122 |
[
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[
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[
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48,
48,
48,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003585331> | R3m | Cd-Cu-Tm | 0.017901 | null | null | 0.000131 | 1,699.941938 | 105.187889 |
[
[
0,
0,
-6.380307435
],
[
0,
0,
0
],
[
-3.0365316,
-1.753142336662805,
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],
[
-3.0365315999999996,
1.753142336662804,
-12.7512013644104
],
[
-3.0365315999999996,
1.753142336662804,
-6.389720940589598
],
[
-3.0365... | [
[
-3.036531600000001,
-5.259427009988415,
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],
[
-3.036531599999999,
5.259427009988415,
3.718678704449791e-16
],
[
0,
0,
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]
] | [
41,
41,
41,
41,
41,
41,
26,
26,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1190037 | P6_322 | Fe-Nb-Se | 0.01339 | 0 | null | null | 4,244.652933 | 66.351044 |
[
[
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0.3970968355682266,
2.9443440225031976
],
[
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[
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0
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[
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[
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5.002227778647829,
... | [
[
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0,
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[
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1.1631536388797552
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[
0,
0,
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]
] | [
41,
41,
26,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002212491> | C2/m | Fe-Nb-Se | 0.052341 | null | null | 0.009549 | 3,653.081366 | 20.380501 |
[
[
2.7571587075000004,
1.51136780471922,
6.436621302650046
],
[
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1.1100550754960123
],
[
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],
[
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2.9695232041309603,
8.002804806402942
],
[
... | [
[
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0,
2.251030390587419e-16
],
[
-4.386029743105698e-16,
7.162930154489315,
-2.1690877818539422
],
[
0,
0,
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]
] | [
41,
41,
26,
26,
26,
26,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002273616> | P2_1/m | Fe-Nb-Se | 0.084807 | null | null | 0.020325 | 3,225.572666 | 32.551998 |
[
[
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1.2252081478114019
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[
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[
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],
[
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2.260111951975837,
3.0782197011959735
],
... | [
[
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0,
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],
[
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[
0,
0,
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]
] | [
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41,
41,
41,
26,
26,
26,
26,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003619114> | P2_1/c | Fe-Nb-Se | 0.071303 | null | null | 0.022195 | 3,899.311191 | 35.060246 |
[
[
3.071693835,
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[
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3.591127365,
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[
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3.591127365,
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],
[
3.071693835,
3.591127365,
5.468693856912638
],
[
0.8382592884854598,
... | [
[
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0,
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[
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7.18225473,
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],
[
0,
0,
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] | [
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41,
41,
41,
26,
26,
26,
26,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002150606> | Pmna | Fe-Nb-Se | 0.096496 | null | null | 0.02118 | 3,899.311191 | 35.622993 |
[
[
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[
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[
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[
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],
[
0.7217078468890545,
-3.2062013037... | [
[
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0,
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[
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],
[
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0,
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]
] | [
41,
41,
26,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002336502> | C2/m | Fe-Nb-Se | 0.085733 | null | null | 0.026425 | 4,149.669208 | 73.808029 |
[
[
0,
0,
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[
0,
0,
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[
0,
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[
0,
0,
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[
-1.96891081,
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-0.024709036554001196
],
[
-1.9689108100000001,
-1.1367511861638646,
... | [
[
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[
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[
0,
0,
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]
] | [
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67,
67,
67,
27,
27,
27,
27,
53,
53
] | [
1,
1,
1
] | mp-1205546 | P6_3/mmc | Co-Ho-I | 0 | 0 | null | -0.001756 | 3,393.389839 | 47.504311 |
[
[
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[
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[
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[
0.30973833367302384,
-6.943884440248266,
1.499747803462725... | [
[
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0,
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[
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],
[
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0,
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]
] | [
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67,
67,
67,
27,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003657756> | C2/m | Co-Ho-I | 0 | null | null | 0 | 3,879.73159 | 6.38494 |
[
[
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],
[
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[
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3.5856737154868443
],
[
0.14048806484380477,
3.9761468910412643,
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],
... | [
[
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0,
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[
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[
0,
0,
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] | [
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11,
11,
11,
13,
13,
13,
13,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003110330> | Pna2_1 | Al-Na-Se | 0.007042 | null | null | 0 | 1,628.372185 | 24.91394 |
[
[
0,
0,
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[
0,
0,
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[
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[
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],
[
-1.9844686250000005,
-1.145733494842117,
-3.9627435... | [
[
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],
[
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],
[
0,
0,
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]
] | [
67,
67,
27,
27,
53,
53
] | [
1,
1,
1
] | alex<agm002263919> | P-3m1 | Co-Ho-I | 0 | null | null | 0.002724 | 3,647.838826 | 34.007748 |
[
[
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1.5469465368604949,
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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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]
] | [
67,
67,
27,
27,
53,
53
] | [
1,
1,
1
] | alex<agm003601818> | R-3m | Co-Ho-I | 0.000101 | null | null | 0.002489 | 3,647.838826 | 35.232788 |
[
[
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[
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[
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[
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[
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1.4276314177358034,
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[
-2.47273015,
-1.4... | [
[
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[
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[
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0,
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]
] | [
71,
71,
12,
12,
49,
49
] | [
1,
1,
1
] | alex<agm002220669> | P6_3/mmc | In-Lu-Mg | 0.034709 | null | null | -0.000093 | 2,496.692668 | 45.452633 |
[
[
2.339722105396576,
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[
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[
0.578400283669408,
1.4210999349694995,
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] | [
[
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0,
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[
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[
2.6105182299433637e-16,
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2.461417289999999
]
] | [
71,
12,
49
] | [
1,
1,
1
] | alex<agm001272945> | P-6m2 | In-Lu-Mg | 0.077541 | null | null | 0.000042 | 2,496.692668 | 47.893345 |
[
[
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[
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[
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0,
0
],
[
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6.391513426878563,
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]
] | [
[
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[
1.5064941620635668,
4.261008951252375,
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],
[
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0
]
] | [
71,
71,
12,
49
] | [
1,
1,
1
] | mp-865240 | Fm-3m | In-Lu-Mg | 0 | 0 | null | 0.00002 | 2,712.534326 | 53.234585 |
[
[
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2.43471059,
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[
0,
0,
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[
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0,
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],
[
2.132433835,
2.43471059,
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]
] | [
[
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0,
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],
[
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4.86942118,
2.9816605308936636e-16
],
[
0,
0,
4.86942118
]
] | [
71,
71,
12,
49
] | [
1,
1,
1
] | alex<agm001214234> | P4/mmm | In-Lu-Mg | 0.02283 | null | null | 0.000142 | 2,712.534326 | 55.243622 |
[
[
0,
0,
5.4335394004611866
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[
0,
0,
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[
1.8729738599999999,
1.87297386,
3.6268808700000004
],
[
1.8729738599999999,
1.87297386,
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]
] | [
[
3.74594772,
0,
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],
[
-2.293731442535663e-16,
3.74594772,
2.293731442535663e-16
],
[
0,
0,
7.25376174
]
] | [
71,
71,
12,
49
] | [
1,
1,
1
] | alex<agm001151309> | P4/mmm | In-Lu-Mg | 0.038065 | null | null | 0.00009 | 2,712.534326 | 51.526939 |
[
[
1.793919115,
1.793919115,
3.76132243
],
[
1.793919115,
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],
[
0,
0,
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],
[
0,
0,
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]
] | [
[
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0,
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],
[
-2.1969173021140026e-16,
3.58783823,
2.1969173021140026e-16
],
[
0,
0,
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]
] | [
71,
12,
49,
49
] | [
1,
1,
1
] | alex<agm001151310> | P4/mmm | In-Lu-Mg | 0.097142 | null | null | 0.001065 | 2,363.728818 | 45.231197 |
[
[
2.242265395,
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[
-1.372991569412813e-16,
2.242265395,
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],
[
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0,
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],
[
0,
0,
2.35886902
]
] | [
[
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0,
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],
[
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4.48453079,
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],
[
0,
0,
4.71773804
]
] | [
71,
12,
12,
49
] | [
1,
1,
1
] | alex<agm001213260> | P4/mmm | In-Lu-Mg | 0.063385 | null | null | 0.000068 | 2,353.28152 | 46.042198 |
[
[
3.503599279878282,
0.09613048319049786,
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],
[
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[
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],
[
1.4758774502870045,
2.1071690377993986,
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],
... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
11,
11,
13,
13,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003110301> | P1 | Al-Na-Se | 0.04205 | null | null | -0 | 1,628.372185 | 20.66316 |
[
[
2.213319905,
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[
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[
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],
[
2.2133199049999996,
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[
-2.33013... | [
[
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0,
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],
[
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7.61081439,
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],
[
0,
0,
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]
] | [
71,
71,
71,
71,
12,
12,
49,
49,
49,
49
] | [
1,
1,
1
] | alex<agm002221607> | P4/mbm | In-Lu-Mg | 0.050194 | null | null | -0.000096 | 2,577.056344 | 58.788628 |
[
[
4.427541,
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[
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[
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],
[
0,
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],
[
1.475847,
-0.946559965707902,
5.3441358169832... | [
[
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[
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],
[
3.703330284091581e-16,
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]
] | [
81,
81,
28,
28,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1205652 | P6_3/mmc | Cl-Ni-Tl | 0.004368 | 0.5372 | null | 0.01603 | 4,266.155247 | 16.406607 |
[
[
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[
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[
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],
[
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],
[
2.19199541741465,
10.0775... | [
[
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[
2.0099591275191617,
5.685022915906383,
-3.481351329999999
],
[
-4.019918255038323,
5.685022915906383,
0
]
] | [
81,
81,
28,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002143688> | Fm-3m | Cl-Ni-Tl | 0.051253 | null | null | -0 | 4,504.850201 | 12.407259 |
[
[
2.15760181,
0,
3.570265735
],
[
2.15760181,
3.570265735,
3.507307327462129e-16
],
[
0,
0,
0
],
[
-3.412470095290706e-16,
5.572986591181393,
5.572986591181394
],
[
-3.412470095290706e-16,
5.572986591181393,
1.5675448788186075
],
[
... | [
[
4.31520362,
0,
2.6423001504510357e-16
],
[
-4.3723145044732224e-16,
7.14053147,
4.3723145044732224e-16
],
[
0,
0,
7.14053147
]
] | [
81,
81,
28,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002143156> | P4/mmm | Cl-Ni-Tl | 0.028462 | null | null | 0.000012 | 4,854.549364 | 10.816689 |
[
[
3.149438798349699,
-1.6826987754247225,
2.0219121855256286
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[
1.5411473242011997,
1.682698775424723,
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[
0,
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0
],
[
4.066065246558715,
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],
[
0.6245208759921843,
0.6818819309204662,
... | [
[
0.4111124919148637,
-4.672535146155525,
1.3886535022759199
],
[
4.690586122550899,
0,
-1.3886535022759199
],
[
-0.4111124919148637,
4.672535146155525,
7.227591177724079
]
] | [
81,
81,
28,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm001085906> | I4/mmm | Cl-Ni-Tl | 0.054386 | null | null | 0.004737 | 4,854.549364 | 19.84454 |
[
[
4.015031884041119,
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0.2925485951550925
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[
2.101887467859561,
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],
[
0.05453823744941829,
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],
[
0.7803259597346879,
-1.1553314608634733,
-5.141517627126063... | [
[
2.280666480789207,
5.665109319037261,
3.1306119279608278
],
[
3.8262888323631157,
-5.665109319037261,
0.6014020435958795
],
[
0,
0,
-6.8626259
]
] | [
81,
81,
28,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003474126> | I4mm | Cl-Ni-Tl | 0.034804 | null | null | 0.004215 | 4,670.08492 | 10.720593 |
[
[
3.370535089866181,
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5.175173390346505
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[
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1.9425356890726866
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[
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0
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[
1.5626363556098488,
1.2840024295446895,
0.8094206621932516
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[
5.178433824289843,
1.284002429544689... | [
[
6.74107018,
0,
4.127715009382336e-16
],
[
-3.3705350902535187,
6.4903145862906895,
-2.2866035905808078
],
[
0,
0,
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]
] | [
81,
81,
28,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003522200> | C2/m | Cl-Ni-Tl | 0.053533 | null | null | 0.000034 | 4,221.177658 | 3.352514 |
[
[
-1.90542798209762,
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[
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[
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],
[
-0.4919497370569028,
-2.1913934806925415,
-4.6631039274454... | [
[
0.5166495330462568,
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0.4880968443185306
],
[
-8.580934298036238,
0,
0.4880968443185306
],
[
0,
0,
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]
] | [
81,
81,
81,
81,
81,
81,
28,
28,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003572577> | R-3 | Cl-Ni-Tl | 0.05005 | null | null | 0.003193 | 4,965.841768 | 12.695919 |
[
[
0,
0,
0
],
[
4.440892098500626e-16,
3.631196889558612,
-4.3628652801608313e-16
],
[
4.440892098500626e-16,
10.893590668675834,
8.881784197001252e-16
],
[
6.021322617444951e-16,
7.262393779117222,
4.440892098500626e-16
],
[
1.937057979880363,
... | [
[
1.7117626296202622,
4.841595852744815,
2.9648598450000003
],
[
1.7117626296202622,
4.841595852744815,
-2.9648598449999994
],
[
-3.423525259240524,
4.841595852744815,
0
]
] | [
13,
47,
47,
47,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1205591 | Fm-3m | Ag-Al-F | 0.077748 | 0.2681 | null | -0.000001 | 1,401.305332 | 55.893452 |
[
[
-1.6355934980024627,
2.2865026440260867,
-3.125211215025822
],
[
1.66019707090907,
1.3705522297453063,
-2.4023450737681
],
[
-1.6601970709090696,
-1.3705522297453063,
-3.434344906231901
],
[
0,
0,
0
],
[
1.3553132317186314,
-1.577404990062097... | [
[
-3.2711869960049254,
4.573005288052173,
-0.4137324500516446
],
[
5.140567180767853,
0,
-2.3149050364157606
],
[
-1.8693801847629277,
-4.573005288052173,
-3.108052493532595
]
] | [
13,
47,
47,
47,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003571533> | C2/m | Ag-Al-F | 0 | null | null | 0.000011 | 1,401.305332 | 47.300877 |
[
[
2.7972421234321456,
2.851309545,
-0.061121483703810445
],
[
0,
0,
4.203063025
],
[
5.455030146428808,
3.2893405481958524,
6.505360852755325
],
[
2.9366962238676293,
0.4380310031958525,
5.920463771133242
],
[
2.657788022996662,
5.2645880868041... | [
[
5.594484246864291,
0,
-0.12224296740762124
],
[
-3.491847107662546e-16,
5.70261909,
3.491847107662546e-16
],
[
0,
0,
8.40612605
]
] | [
13,
13,
47,
47,
47,
47,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003485478> | P2_1/c | Ag-Al-F | 0.017025 | null | null | 0.007457 | 1,401.700062 | 30.114697 |
[
[
1.4560878451750923,
0,
8.915966594355217e-17
],
[
4.406451884824907,
0,
2.698173598173822e-16
],
[
2.931269893816207,
2.5714801986891724,
2.178275121084698
],
[
2.9312698352089384,
2.477584094767495,
5.524814341581906
],
[
0,
0,
3.8743883... | [
[
5.86253973,
0,
3.589770257609344e-16
],
[
-2.931269866197075,
6.200013465065017,
-2.0549553643761382
],
[
0,
0,
7.74877671
]
] | [
13,
13,
47,
47,
47,
47,
47,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003368886> | C2/m | Ag-Al-F | 0.036304 | null | null | 0.003612 | 1,401.476775 | 37.379974 |
[
[
0.6507758528267328,
0.7092101870229881,
-5.6396876774999996
],
[
4.003763097745585,
4.363268186755996,
-1.8798958925000002
],
[
2.9441269115084485,
3.2084853616814284,
-5.6396876774999996
],
[
1.7104120390638677,
1.8639930120975543,
-1.8798958924999998
... | [
[
-0.43670318942768305,
5.072478373778983,
3.1174866952175606e-16
],
[
5.09124214,
0,
3.1174866952175606e-16
],
[
0,
0,
-7.51958357
]
] | [
13,
13,
47,
47,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003740531> | Cmcm | Ag-Al-F | 0.081678 | null | null | 0.000063 | 1,384.85485 | 25.211832 |
[
[
2.465829024768983,
2.5207730785448157,
4.070266104147173
],
[
0,
0,
0
],
[
2.063012747623948,
1.1188414001679603,
5.182534340376832
],
[
2.868645301914018,
3.922704756921671,
2.957997867917515
],
[
2.93910147461894,
1.347984512891995,
2.7... | [
[
3.4830732965313396,
0,
1.261421096666418
],
[
1.4485847530066267,
5.041546157089631,
1.4396179916279288
],
[
0,
0,
5.43949312
]
] | [
13,
47,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003757665> | Immm | Ag-Al-F | 0.066644 | null | null | 0.010465 | 1,394.37259 | 54.939293 |
[
[
1.8631794815202707,
4.42465321631852,
7.692449077500001
],
[
6.618922390104235e-10,
1.9263966282135654,
2.5641496925
],
[
1.8631794816255698,
4.731120332104484,
4.084866463387394
],
[
1.8631794816255698,
4.731120332104484,
1.0434329216126073
],
[
... | [
[
3.72635896,
0,
2.2817367864190303e-16
],
[
-1.8631794778178377,
6.351049844532085,
4.052788687286605e-16
],
[
0,
0,
10.25659877
]
] | [
13,
13,
47,
47,
47,
47,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003473033> | Cmcm | Ag-Al-F | 0.008597 | null | null | -0.000101 | 1,396.170045 | 45.727604 |
[
[
3.1220864999999995,
4.813572372776992,
0.01051938785701067
],
[
3.1220865,
2.404903968682461,
4.173761490455847
],
[
-1.472578973751871e-16,
2.404903968682461,
4.173761490455847
],
[
-2.9474629993927367e-16,
4.813572372776992,
0.010519387857010227
],
... | [
[
6.244173,
0,
3.823453238886163e-16
],
[
-4.420041973144608e-16,
7.2184763414594535,
-4.159255971687142
],
[
0,
0,
8.34353685
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
14,
14,
14,
14,
14,
14,
6,
6
] | [
1,
1,
1
] | mp-1189640 | P6_3/mcm | C-Si-Tm | 0.007063 | 0 | null | 0.000829 | 2,878.76713 | 70.966064 |
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