pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
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0,
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31,
31,
31,
31,
31,
29,
29,
29,
29
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1,
1,
1
] | alex<agm003671995> | I4/mmm | Cu-Dy-Ga | 0.033246 | null | null | -0.000047 | 1,995.771642 | 92.883209 |
[
[
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[
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[
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29,
29,
29,
29,
29
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1,
1,
1
] | alex<agm003671994> | I4/mmm | Cu-Dy-Ga | 0.056002 | null | null | -0.000171 | 1,891.211253 | 101.411079 |
[
[
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] | [
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66,
31,
29,
29
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1,
1
] | alex<agm002207635> | Immm | Cu-Dy-Ga | 0.029092 | null | null | 0.000003 | 2,549.968284 | 73.781906 |
[
[
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[
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... | [
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[
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[
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31,
31,
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29,
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29
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1,
1
] | alex<agm002207634> | P4/mbm | Cu-Dy-Ga | 0.042697 | null | null | 0.000084 | 2,549.968284 | 76.223587 |
[
[
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] | [
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66,
31,
29,
29
] | [
1,
1,
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] | alex<agm002334764> | Cmmm | Cu-Dy-Ga | 0.02799 | null | null | -0.000118 | 2,549.968284 | 80.132919 |
[
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31,
31,
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29
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1,
1
] | alex<agm003391260> | C2/m | Cu-Dy-Ga | 0.045228 | null | null | 0.000577 | 2,549.968284 | 74.957062 |
[
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[
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31,
31,
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31,
29
] | [
1,
1,
1
] | alex<agm003478780> | I4mm | Cu-Dy-Ga | 0.080489 | null | null | 0.000007 | 2,394.575269 | 70.945595 |
[
[
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[
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[
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29,
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29,
50,
50,
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50
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1,
1,
1
] | alex<agm003611670> | Pnma | Cu-Er-Sn | 0.071316 | null | null | -0.000088 | 2,299.637784 | 73.910797 |
[
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[
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[
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29,
29
] | [
1,
1,
1
] | alex<agm003412601> | Fmmm | Cu-Dy-Ga | 0.042578 | null | null | -0.000047 | 2,435.985144 | 85.193474 |
[
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[
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29
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1,
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] | alex<agm003335003> | Cmce | Cu-Dy-Ga | 0.071631 | null | null | 0 | 2,265.73261 | 81.732925 |
[
[
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[
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29,
29,
29,
29,
29
] | [
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1,
1
] | alex<agm003343314> | Ibam | Cu-Dy-Ga | 0 | null | null | -0 | 2,263.024253 | 81.561989 |
[
[
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[
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[
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29,
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29
] | [
1,
1,
1
] | alex<agm003301627> | R-3m | Cu-Dy-Ga | 0.019689 | null | null | -0.000113 | 1,906.153907 | 111.826302 |
[
[
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[
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[
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[
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[
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] | [
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31,
31,
31,
31,
31,
31,
29
] | [
1,
1,
1
] | alex<agm003510672> | P-4m2 | Cu-Dy-Ga | 0.071446 | null | null | 0.000001 | 2,315.900854 | 65.672806 |
[
[
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[
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[
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[
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[
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] | [
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66,
31,
29
] | [
1,
1,
1
] | alex<agm001203421> | P4/mmm | Cu-Dy-Ga | 0.051391 | null | null | -0.000028 | 2,695.562432 | 62.426197 |
[
[
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[
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[
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[
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] | [
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[
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[
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0,
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] | [
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66,
31,
29
] | [
1,
1,
1
] | alex<agm001129830> | P4/mmm | Cu-Dy-Ga | 0.032319 | null | null | 0.000061 | 2,695.562432 | 63.413326 |
[
[
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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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66,
31,
29
] | [
1,
1,
1
] | alex<agm002146461> | Fm-3m | Cu-Dy-Ga | 0.034513 | null | null | 0.00001 | 2,695.562432 | 68.114723 |
[
[
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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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66,
66,
66,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm003623864> | P2_1/m | Cu-Dy-Ga | 0.037286 | null | null | 0.000068 | 2,695.562432 | 69.833145 |
[
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[
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[
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[
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4.004214614904... | [
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[
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] | [
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29,
29,
29,
29,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-1095537 | Immm | Cu-Er-Sn | 0.001076 | 0 | null | -0.000107 | 2,190.873017 | 75.235184 |
[
[
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[
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[
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[
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] | [
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31,
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31,
31,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003373050> | Pmmm | Cu-Dy-Ga | 0.07628 | null | null | 0.000131 | 2,165.203335 | 84.755363 |
[
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[
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[
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[
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] | [
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31,
31,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003376270> | Immm | Cu-Dy-Ga | 0.050268 | null | null | -0.000054 | 2,216.714591 | 96.537392 |
[
[
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[
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1.84902325644937... | [
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[
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] | [
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66,
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31,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002209194> | C2/m | Cu-Dy-Ga | 0.064147 | null | null | -0 | 2,448.530183 | 73.972275 |
[
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[
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6... | [
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[
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] | [
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1,
1
] | alex<agm003338896> | C2/m | Cu-Dy-Ga | 0.028057 | null | null | 0.000365 | 2,448.530183 | 84.509102 |
[
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[
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[
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[
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31,
31,
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31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003330829> | Cmcm | Cu-Dy-Ga | 0.013562 | null | null | 0.000112 | 2,548.444391 | 75.73336 |
[
[
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[
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66,
66,
66,
66,
66,
31,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003458778> | P1 | Cu-Dy-Ga | 0.097253 | null | null | 0 | 2,761.065522 | 63.902615 |
[
[
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[
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0.6424201719097071... | [
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[
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] | [
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66,
66,
66,
66,
66,
66,
66,
31,
31,
29
] | [
1,
1,
1
] | alex<agm003529349> | C2/m | Cu-Dy-Ga | 0.061356 | null | null | 0.000224 | 2,921.01781 | 61.408775 |
[
[
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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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31,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm002207601> | P6/mmm | Cu-Dy-Ga | 0.054408 | null | null | -0 | 2,189.042648 | 94.907806 |
[
[
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[
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[
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[
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-0.130275984... | [
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[
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0,
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] | [
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68,
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29,
29,
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29,
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50,
50,
50
] | [
1,
1,
1
] | mp-1103053 | C2/m | Cu-Er-Sn | 0.000178 | 0 | null | null | 2,190.873017 | 70.775665 |
[
[
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[
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[
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[
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9.6706... | [
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] | [
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31,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002267114> | F-43m | Cu-Dy-Ga | 0 | null | null | -0 | 2,091.868949 | 107.267639 |
[
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[
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[
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[
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... | [
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] | [
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31,
31,
31,
31,
31,
29,
29
] | [
1,
1,
1
] | alex<agm003480492> | Immm | Cu-Dy-Ga | 0.064907 | null | null | 0.000016 | 2,125.887839 | 75.461296 |
[
[
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[
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[
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[
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] | [
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31,
31,
31,
31,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003679566> | Imm2 | Cu-Dy-Ga | 0.01299 | null | null | 0 | 1,970.13181 | 87.350922 |
[
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[
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31,
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31,
31,
31,
31,
31,
31,
29
] | [
1,
1,
1
] | alex<agm003588917> | Im-3m | Cu-Dy-Ga | 0 | null | null | -0.000024 | 2,386.757123 | 63.588112 |
[
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[
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1,
1,
1
] | mp-1205775 | C2/m | B-La-N | 0 | 0 | null | 0.000032 | 2,781.942694 | 105.245132 |
[
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[
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-1.981629624... | [
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[
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] | [
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5,
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7,
7,
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] | [
1,
1,
1
] | mp-569935 | Immm | B-La-N | 0 | 0 | null | -0 | 2,757.229359 | 106.094749 |
[
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[
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1.50978970267... | [
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] | [
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57,
57,
5,
5,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | mp-570499 | C2/m | B-La-N | 0 | 0 | null | null | 2,797.210842 | 103.503334 |
[
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[
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[
2.61366... | [
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] | [
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57,
5,
5,
7,
7
] | [
1,
1,
1
] | alex<agm003598510> | Cmcm | B-La-N | 0.055997 | null | null | -0.000052 | 2,804.931684 | 108.696373 |
[
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[
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[
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[
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[
-1.7... | [
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[
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[
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0,
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] | [
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68,
68,
68,
29,
29,
29,
29,
50,
50
] | [
1,
1,
1
] | alex<agm002266851> | P4/mbm | Cu-Er-Sn | 0.014501 | null | null | -0.000004 | 2,442.755376 | 76.523956 |
[
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[
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[
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[
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[
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[
1.908459... | [
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[
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[
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0,
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] | [
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57,
57,
5,
7,
7,
7
] | [
1,
1,
1
] | alex<agm002200497> | P4/mmm | B-La-N | 0.088542 | null | null | 0.000057 | 2,841.997652 | 84.849922 |
[
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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,
7,
7
] | [
1,
1,
1
] | alex<agm002755873> | R-3m | B-La-N | 0.07471 | null | null | -0.000003 | 2,623.282496 | 46.77256 |
[
[
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[
3.582... | [
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[
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] | [
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72,
72,
72,
72,
72,
27,
51,
51
] | [
1,
1,
1
] | mp-1206239 | P-62m | Co-Hf-Sb | 0 | 0 | null | -0.000001 | 2,746.141193 | 127.429756 |
[
[
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[
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[
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0,
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] | [
72,
72,
72,
72,
27,
27,
51,
51
] | [
1,
1,
1
] | alex<agm002206490> | P2_1/m | Co-Hf-Sb | 0.088557 | null | null | -0.000108 | 2,792.126594 | 135.462784 |
[
[
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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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27,
51
] | [
1,
1,
1
] | alex<agm003609426> | F-43m | Co-Hf-Sb | 0 | null | null | 0.000012 | 2,887.600648 | 141.345474 |
[
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[
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[
... | [
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] | [
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37,
37,
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14,
14,
16,
16,
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16,
16,
16
] | [
1,
1,
1
] | mp-12016 | C2/m | Rb-S-Si | 0 | 2.8274 | null | 0.000003 | 3,895.092781 | 13.976568 |
[
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... | [
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[
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] | [
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37,
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14,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002242441> | P-1 | Rb-S-Si | 0.018855 | null | null | 0 | 3,037.389576 | 12.025236 |
[
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[
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0.8361045608184908,
4.70377... | [
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0,
3.09876359690352e-16
],
[
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5.32774644639461,
3.0759758450000008
],
[
3.262303816122922e-16,
-5.32774644639461,
3.075975844999999
]
] | [
37,
37,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1206049 | P-3m1 | F-Rb-Sn | 0 | 5.1882 | null | -0.000004 | 3,435.112732 | 17.928623 |
[
[
2.220446049250313e-16,
3.913391261687152,
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],
[
6.661338147750939e-16,
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4.2240981990016036e-16
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[
0,
0,
0
],
[
2.0535025314279762,
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],
[
-2.0535025314279753,
6... | [
[
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5.217855015582869,
3.1952705850000007
],
[
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5.217855015582869,
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],
[
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0
]
] | [
37,
37,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1206039 | Fm-3m | F-Rb-Sn | 0.017692 | 5.3825 | null | -0.000001 | 3,435.112732 | 26.41921 |
[
[
4.481407934402695,
4.451870392522075,
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],
[
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[
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3.2953457393319225
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[
2.2400564401156515,
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5.148669350705954
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[
... | [
[
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0,
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[
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],
[
0,
0,
5.3003489
]
] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | mp-998193 | P1 | F-Rb-Sn | 0.045619 | 3.4053 | null | 0.000001 | 3,018.059238 | 36.946217 |
[
[
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1.4030873474843797,
2.6835309350136467
],
[
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[
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[
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4.142388331737626
],
[
2.348931974363583,
1.3778868457720492,
... | [
[
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0,
1.6739608728100286
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[
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4.731617789088671,
2.4162871766874643
],
[
0,
0,
5.48062593
]
] | [
69,
69,
49,
29,
29
] | [
1,
1,
1
] | alex<agm002266771> | Immm | Cu-In-Tm | 0.06021 | null | null | -0.000034 | 2,531.425889 | 63.653934 |
[
[
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1.4390046286407716,
2.732323858783879
],
[
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[
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4.18888003561202
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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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] | [
68,
68,
29,
29,
50
] | [
1,
1,
1
] | alex<agm002266853> | Immm | Cu-Er-Sn | 0.060503 | null | null | 0 | 2,442.755376 | 69.464729 |
[
[
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[
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[
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],
[
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-2.0082430439025787,
-4.70035180890738... | [
[
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0,
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[
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0,
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] | [
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37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-998620 | R-3 | F-Rb-Sn | 0.016245 | 4.0234 | null | -0.000005 | 3,018.059238 | 21.292564 |
[
[
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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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]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063459> | P-1 | F-Rb-Sn | 0.017321 | null | null | 0 | 3,018.059238 | 23.983706 |
[
[
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],
[
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[
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],
[
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-2.807895383820385,
-5.9808051259067... | [
[
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[
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0,
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[
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0,
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] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002147863> | R3c | F-Rb-Sn | 0.026112 | null | null | 0 | 3,018.059238 | 27.745691 |
[
[
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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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]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003710534> | Pmn2_1 | F-Rb-Sn | 0.023784 | null | null | 0.000027 | 3,018.059238 | 21.658161 |
[
[
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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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] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063455> | P1 | F-Rb-Sn | 0.026703 | null | null | -0 | 3,018.059238 | 24.595695 |
[
[
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[
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[
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[
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[
-2.730015341166471,
-3.715010208... | [
[
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[
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0,
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[
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0,
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] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063475> | R-3c | F-Rb-Sn | 0.080725 | null | null | -0 | 3,018.059238 | 22.633244 |
[
[
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[
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[
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[
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2.37174906,
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],
[
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0,
1.4522774473548718e-16
]
] | [
[
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[
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4.74349812,
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[
0,
0,
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] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002147864> | Pm-3m | F-Rb-Sn | 0.094001 | null | null | -0.000002 | 3,018.059238 | 34.182529 |
[
[
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[
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[
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[
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5.144103904614271,
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],
[
... | [
[
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0,
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[
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8.142003138935651,
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],
[
0,
0,
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]
] | [
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37,
37,
37,
50,
50,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063469> | P2_1/c | F-Rb-Sn | 0 | null | null | 0 | 3,018.059238 | 18.578936 |
[
[
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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,
4.676193046246538e-16
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[
0,
0,
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]
] | [
37,
37,
37,
37,
50,
50,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063470> | Cmce | F-Rb-Sn | 0.046754 | null | null | -0 | 3,018.059238 | 13.929527 |
[
[
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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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]
] | [
37,
37,
37,
37,
50,
50,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063468> | P2_1/c | F-Rb-Sn | 0.031689 | null | null | 0.00004 | 3,018.059238 | 18.773829 |
[
[
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[
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[
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],
[
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],
[
... | [
[
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[
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],
[
0,
0,
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]
] | [
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68,
68,
68,
29,
29,
29,
29,
50,
50
] | [
1,
1,
1
] | alex<agm002335279> | C2/c | Cu-Er-Sn | 0.058839 | null | null | 0.000501 | 2,442.755376 | 67.163261 |
[
[
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[
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[
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],
[
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],
[
3.65601714641077,
6... | [
[
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0,
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[
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],
[
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0,
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]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002209697> | Cmcm | F-Rb-Sn | 0.002055 | null | null | -0 | 3,018.059238 | 13.078669 |
[
[
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[
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[
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[
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],
[
2.888385027975... | [
[
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[
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],
[
0,
0,
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]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063463> | P2_1/m | F-Rb-Sn | 0.034507 | null | null | 0.000007 | 3,018.059238 | 21.38497 |
[
[
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[
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[
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[
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],
[... | [
[
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[
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[
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0,
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]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063457> | P1 | F-Rb-Sn | 0.024808 | null | null | 0 | 3,018.059238 | 21.903004 |
[
[
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[
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[
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[
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[
3.43998... | [
[
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[
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],
[
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0,
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]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002147865> | P2_1/m | F-Rb-Sn | 0.025972 | null | null | -0 | 3,018.059238 | 26.331377 |
[
[
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[
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[
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],
[
-1.322096708980292,
-4.894491058019535,
-1.23798409891... | [
[
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],
[
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0,
0.3411286396791366
],
[
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0,
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]
] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063472> | R3m | F-Rb-Sn | 0.044247 | null | null | 0.000006 | 3,018.059238 | 24.847681 |
[
[
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[
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[
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[
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2.27709373,
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]
] | [
[
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0,
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],
[
-2.788635547803007e-16,
4.55418746,
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],
[
0,
0,
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]
] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063486> | P4mm | F-Rb-Sn | 0.046279 | null | null | 0.000014 | 3,018.059238 | 30.08643 |
[
[
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0,
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],
[
-2.2369757009808342e-16,
3.65325856,
4.390414615
],
[
-2.2369757009808342e-16,
3.65325856,
2.2369757009808342e-16
],
[
3.51780664,
0,
4.390414615
],
[
3.436006519351017,
3.908894158693261,
2.1952... | [
[
7.03561328,
0,
4.308070641695305e-16
],
[
-4.4739514019616685e-16,
7.30651712,
4.4739514019616685e-16
],
[
0,
0,
8.78082923
]
] | [
37,
37,
37,
37,
50,
50,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063482> | Pnma | F-Rb-Sn | 0.033332 | null | null | -0 | 3,018.059238 | 15.371748 |
[
[
-4.078285061504755,
-4.469999644975871,
-3.749743383761152
],
[
-1.8839194419988852,
-2.0648677348196536,
-1.7321531861158945
],
[
-1.6913739216626507,
-1.8538284389968411,
-4.419881278920252
],
[
-1.4302970609982277,
-4.696552634344397,
-1.3150740716766... | [
[
0.43904334329509614,
-4.780504605482753,
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],
[
-4.800623224158875,
0,
0.40367454625590354
],
[
0,
0,
-4.81756541
]
] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063473> | R3m | F-Rb-Sn | 0.058274 | null | null | -0.000001 | 3,018.059238 | 36.119999 |
[
[
2.28323374297809,
4.670999074384691,
1.7851954551448195
],
[
5.544916478479467,
-0.09843982511306933,
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],
[
0,
0,
0
],
[
2.5458665020157025,
3.331756977378607,
4.9669338416538125
],
[
1.3611961509439663,
0.09843982511307052... | [
[
1.8143796253920281,
-6.6635139547572155,
3.5398177983461867
],
[
6.9061126294234345,
0,
-3.5398177983461867
],
[
-1.8143796253920281,
6.6635139547572155,
4.9669338416538125
]
] | [
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68,
68,
68,
68,
68,
68,
68,
68,
68,
29,
29,
29,
29,
50,
50
] | [
1,
1,
1
] | alex<agm003477476> | I4/mcm | Cu-Er-Sn | 0.02387 | null | null | -0.000646 | 2,747.524945 | 77.308556 |
[
[
-1.159685526040591e-16,
1.8939101900205173,
1.5888493216543746
],
[
2.3037103149999996,
4.289853846546337,
3.59886725885757
],
[
2.3037103149999996,
3.9570732571357974,
1.5026259117100869
],
[
2.303710315,
2.167679838236324,
3.6355848926666012
],
[
... | [
[
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0,
2.821231463427491e-16
],
[
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4.852821573020408,
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],
[
0,
0,
4.92786199
]
] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063479> | Amm2 | F-Rb-Sn | 0.05535 | null | null | -0 | 3,018.059238 | 32.807362 |
[
[
0.03588712975812167,
4.256556717647901,
5.888614894686204
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[
2.3475120001423715,
2.4016230281387134,
3.251913659060084
],
[
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0.210900174765649,
3.3032790388035824
],
[
0.06880981384297735,
2.3115558228117514,
3.6212610528262226
],
... | [
[
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0,
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[
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4.523778339885171,
0.8553760092234637
],
[
0,
0,
5.48760899
]
] | [
37,
50,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002147867> | Pm | F-Rb-Sn | 0.043753 | null | null | 0.000011 | 3,018.059238 | 35.361618 |
[
[
3.2541882308697065,
3.583259685068703,
2.3485696800000007
],
[
6.561421775869707,
6.467814899931297,
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],
[
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3.117456704931297,
7.045709040000001
],
[
0.053045314130293085,
0.23290149006870303,
2.34856968
],
[
3.... | [
[
6.61446709,
0,
4.050192974917004e-16
],
[
-4.103005439503854e-16,
6.70071639,
4.103005439503854e-16
],
[
0,
0,
9.39427872
]
] | [
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37,
37,
37,
50,
50,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063481> | Pnma | F-Rb-Sn | 0.077633 | null | null | 0.00004 | 3,018.059238 | 29.606171 |
[
[
3.9046745437981,
2.760099420192348,
6.624310864487867
],
[
5.79120585336024,
4.145444325824172,
10.06232143596969
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[
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],
[
0,
0,
0
],
[
2.3467578553850736,
3.8843695577775406,
8.624... | [
[
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0,
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],
[
1.9905195731195087,
5.520198840384696,
3.206669691147524
],
[
0,
0,
6.82307124
]
] | [
37,
37,
37,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270174> | P-1 | F-Rb-Sn | 0.065768 | null | null | 0.00451 | 3,883.310566 | 14.693233 |
[
[
9.872206761289276e-16,
4.185414537948317,
4.440892098500626e-16
],
[
1.1102230246251565e-16,
12.556243613844954,
1.4432899320127035e-15
],
[
6.601437917582373e-16,
8.370829075896635,
8.881784197001252e-16
],
[
0,
0,
0
],
[
-1.089888895729576,
... | [
[
1.9730233345733441,
5.580552717264424,
3.417376660000001
],
[
1.9730233345733441,
5.580552717264424,
-3.417376659999999
],
[
-3.946046669146688,
5.580552717264424,
0
]
] | [
37,
37,
37,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210611> | Fm-3m | F-Rb-Sn | 0.09954 | null | null | 0.00424 | 3,883.310566 | 34.230812 |
[
[
0,
0,
0
],
[
-2.2912103460161304,
-2.6008155605894063,
-2.047568038373334
],
[
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[
-1.6684510069491685,
-3.9927508779781937,
-3.351725941758205
],
[
-1.0649732192805146,
-1.208880... | [
[
0.6610465656923005,
-5.201631121178813,
0.5907523166266657
],
[
-5.243467257724562,
0,
0.5907523166266657
],
[
0,
0,
-5.27664071
]
] | [
37,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003764009> | R-3m | F-Rb-Sn | 0.004123 | null | null | 0.006948 | 2,746.121002 | 13.95597 |
[
[
0.778187356486714,
4.259655942531291,
1.7173854714582921
],
[
3.844216817000645,
1.610289922179907,
2.1098490551787163
],
[
2.3112020867436796,
2.9349729323555986,
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],
[
0,
0,
0
],
[
1.2684590411685415,
2.4493192044733645,
... | [
[
5.31685835898127,
0,
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],
[
-0.6944541854939109,
5.869945864711197,
-1.8463258172980033
],
[
0,
0,
7.56293504
]
] | [
37,
37,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270622> | P-1 | F-Rb-Sn | 0.062558 | null | null | 0.000078 | 2,915.119751 | 19.818531 |
[
[
3.0894381389795393,
-1.598750103544137,
1.8931736998799313
],
[
1.447366002470307,
1.598750103544137,
4.596551298466607
],
[
0,
0,
0
],
[
3.860432575223775,
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4.341701254092092
],
[
0.676371566226071,
0.7471151800530326,
... | [
[
0.44982390071471073,
-4.514449055668065,
1.4285527416534625
],
[
4.536804141449847,
0,
-1.4285527416534625
],
[
-0.44982390071471073,
4.514449055668065,
6.489724998346537
]
] | [
37,
37,
50,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm001077141> | I4/mmm | F-Rb-Sn | 0.072865 | null | null | 0.000018 | 3,636.207422 | 29.4694 |
[
[
1.7561018483850868,
3.0416576239943005,
-6.208757624449446
],
[
0,
0,
-3.725254575
],
[
3.512203695602272,
5.253389410456526e-34,
-1.241751524724723
],
[
-5.268305543987359,
-3.0416576239942996,
-3.725254575825831
],
[
0,
0,
0
],
[
... | [
[
-3.512203696770173,
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-2.483503051101108
],
[
-3.5122036944343713,
6.083315247988599,
-2.483503049449446
],
[
7.024407391204544,
0,
-2.483503049449446
]
] | [
66,
66,
66,
66,
24,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | mp-1205385 | Im-3m | Cr-Dy-Ga | 0.005999 | 0 | null | null | 2,481.274867 | 65.066971 |
[
[
0,
0,
0
],
[
0,
0,
3.503658915
],
[
-1.3153908062584877e-16,
2.14819621,
2.126833709148885
],
[
-1.3153908062584877e-16,
2.14819621,
4.880484120851115
],
[
2.14819621,
0,
2.126833709148885
],
[
2.14819621,
0,
4.88048412085... | [
[
4.29639242,
0,
2.6307816125169754e-16
],
[
-2.6307816125169754e-16,
4.29639242,
2.6307816125169754e-16
],
[
0,
0,
7.00731783
]
] | [
66,
24,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002265742> | P4/mmm | Cr-Dy-Ga | 0.060123 | null | null | 0.017326 | 2,449.432288 | 72.176575 |
[
[
0,
0,
-6.34762318
],
[
0,
0,
0
],
[
-3.030574535,
-1.749703023581475,
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],
[
-3.0305745349999995,
1.7497030235814741,
-12.688340399885087
],
[
-3.0305745349999995,
1.7497030235814741,
-6.354529140114913
],
[
-... | [
[
-3.030574535000001,
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],
[
-3.030574534999999,
5.249109070744425,
3.711383403865228e-16
],
[
0,
0,
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]
] | [
41,
41,
41,
41,
41,
41,
45,
45,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1189225 | P6_322 | Nb-Rh-Se | 0 | 0 | null | null | 4,882.150365 | 68.812172 |
[
[
3.917897248243382,
4.8072448773017955,
3.4728007850000004
],
[
1.9805510717566177,
1.091203442698205,
3.472800785
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[
4.929775231756618,
1.858020717301795,
4.156326291139878e-16
],
[
0.9686730882433822,
4.0404276026982044,
3.0671895638842046e-16
],
... | [
[
5.89844832,
0,
3.6117579275120413e-16
],
[
-3.6117579275120413e-16,
5.89844832,
3.6117579275120413e-16
],
[
0,
0,
6.94560157
]
] | [
73,
73,
73,
73,
73,
73,
73,
73,
5,
5,
5,
5,
5,
5,
5,
5,
76,
76,
76,
76
] | [
1,
1,
1
] | mp-1189186 | P4/mnc | B-Os-Ta | 0.003817 | 0 | null | null | 6,120.174914 | 305.690826 |
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