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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53
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1,
1
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[
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44
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1,
1,
1
] | mp-22344 | Im-3m | Ru-Sn | 0 | 0 | 109.399727 | -0.000001 | 3,310.966513 | 103.394859 |
[
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14
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1,
1,
1
] | alex<agm002356877> | Cmmm | Co-Si-Tb | 0.024937 | null | null | 0.000094 | 2,518.630429 | 115.457283 |
[
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[... | [
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] | [
1,
1,
1
] | mp-680677 | P-4c2 | Ru-Sn | 0.002685 | 0 | 127.080359 | null | 3,917.330324 | 121.106262 |
[
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1,
1,
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] | alex<agm002310807> | I-42m | Ru-Sn | 0.087504 | null | null | -0 | 3,694.630237 | 109.811958 |
[
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[
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44,
44
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1,
1,
1
] | alex<agm002181283> | Ccce | Ru-Sn | 0.076006 | null | null | 0.000004 | 2,723.175496 | 66.083939 |
[
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[
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[
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44,
44,
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44
] | [
1,
1,
1
] | alex<agm002181276> | P2_13 | Ru-Sn | 0.092865 | null | null | -0.000023 | 4,543.161343 | 153.522919 |
[
[
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[
0,
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] | [
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0
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] | [
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35
] | [
1,
1,
1
] | mp-23231 | Fm-3m | Ag-Br | 0.03781 | 0.7304 | 39.563326 | -0 | 3,740.452953 | 36.815937 |
[
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[
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] | [
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35,
35
] | [
1,
1,
1
] | mp-570301 | P2_1/m | Ag-Br | 0.042055 | 0.699 | null | -0 | 3,740.452953 | 20.691919 |
[
[
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0
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[
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] | [
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35
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1,
1,
1
] | mp-866291 | F-43m | Ag-Br | 0.000527 | 1.1708 | 28.459588 | 0.000003 | 3,740.452953 | 25.654621 |
[
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[
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35,
35,
35,
35
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1,
1,
1
] | alex<agm003263905> | P2_13 | Ag-Br | 0.085543 | null | null | -0 | 3,740.452953 | 11.956526 |
[
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0.394018627512007... | [
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] | [
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35,
35,
35
] | [
1,
1,
1
] | alex<agm003202511> | Cm | Ag-Br | 0.083461 | null | null | -0.000122 | 3,740.452953 | 11.554139 |
[
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[
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[
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[
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[
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2... | [
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[
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] | [
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27,
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14,
14
] | [
1,
1,
1
] | alex<agm002240022> | P6/mmm | Co-Si-Tb | 0 | null | null | -0 | 2,618.548377 | 155.602005 |
[
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[
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[
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[
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] | [
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35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002139220> | P6_3mc | Ag-Br | 0.000262 | null | null | 0 | 3,740.452953 | 26.293907 |
[
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[
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[
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35,
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35
] | [
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1,
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] | alex<agm002139218> | I4_1/amd | Ag-Br | 0.070574 | null | null | -0.000047 | 3,740.452953 | 12.861565 |
[
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[
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] | [
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35
] | [
1,
1,
1
] | alex<agm003188560> | P-3m1 | Ag-Br | 0.028218 | null | null | -0.00019 | 3,740.452953 | 23.299675 |
[
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[
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] | [
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35
] | [
1,
1,
1
] | alex<agm003188563> | C2/m | Ag-Br | 0.068468 | null | null | -0.000188 | 3,740.452953 | 10.925454 |
[
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[
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12.4372... | [
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] | [
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47,
47,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002139217> | P4_2/ncm | Ag-Br | 0.057692 | null | null | 0 | 3,740.452953 | 6.059622 |
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[
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35,
35,
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] | [
1,
1,
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] | alex<agm004449991> | Pm-3n | Ag-Br | 0.027497 | null | null | 0 | 3,740.452953 | 21.279427 |
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[
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1,
1
] | alex<agm004449988> | Pmmn | Ag-Br | 0.024898 | null | null | 0 | 3,740.452953 | 10.991488 |
[
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] | alex<agm004449982> | I4/m | Ag-Br | 0.031072 | null | null | -0.000057 | 3,740.452953 | 22.252752 |
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[
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27,
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14,
14
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1,
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[
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[
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35
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[
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1,
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[
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35,
35
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1,
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[
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1,
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[
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35
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1,
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] | alex<agm003207298> | Fdd2 | Ag-Br | 0.041464 | null | null | 0.002734 | 4,294.764808 | 14.496537 |
[
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] | [
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35,
35,
35
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1,
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] | alex<agm003195120> | R-3m | Ag-Br | 0.037694 | null | null | 0.000531 | 4,294.764808 | 16.536093 |
[
[
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[
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2.07004383000... | [
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35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003289427> | Fd-3m | Ag-Br | 0.011587 | null | null | -0.000004 | 4,132.947297 | 24.417236 |
[
[
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[
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[
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27,
27,
14,
14
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1,
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] | alex<agm003623811> | P2_1/m | Co-Si-Tb | 0.058494 | null | null | -0 | 2,896.100103 | 92.960854 |
[
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[
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] | [
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35,
35
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1,
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] | alex<agm003284256> | Fmmm | Ag-Br | 0.02066 | null | null | 0.000138 | 4,683.609077 | 9.249953 |
[
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[
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[
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[
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] | [
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35,
35
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1,
1,
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] | alex<agm003204236> | C2/m | Ag-Br | 0.011391 | null | null | 0.000978 | 4,683.609077 | 10.435721 |
[
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[
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] | [
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35,
35
] | [
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1,
1
] | alex<agm002201384> | C2/m | Ag-Br | 0 | null | null | -0 | 4,683.609077 | 6.937244 |
[
[
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[
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[
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[
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] | [
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35,
35
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1,
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] | alex<agm003161457> | P-3m1 | Ag-Br | 0.07769 | null | null | 0.01235 | 4,683.609077 | 11.179186 |
[
[
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[
1.2... | [
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[
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] | [
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35,
35,
35
] | [
1,
1,
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] | alex<agm003204239> | Cmcm | Ag-Br | 0.013981 | null | null | 0.000481 | 4,683.609077 | 6.613827 |
[
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[
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[
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] | [
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47,
35,
35,
35,
35
] | [
1,
1,
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] | alex<agm003204240> | C2/m | Ag-Br | 0.019828 | null | null | 0.00003 | 4,683.609077 | 12.213712 |
[
[
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[
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0.396542044974144... | [
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[
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] | [
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47,
47,
47,
35,
35
] | [
1,
1,
1
] | alex<agm003204235> | C2/m | Ag-Br | 0.087149 | null | null | -0 | 2,886.50861 | 34.439667 |
[
[
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[
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35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003285624> | P-1 | Ag-Br | 0 | null | null | 0.000128 | 5,954.156101 | 2.731362 |
[
[
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[
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[
3.91... | [
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[
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] | [
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47,
47,
47,
47,
35,
35,
35
] | [
1,
1,
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] | alex<agm003220747> | P2/m | Ag-Br | 0.078103 | null | null | -0 | 3,092.331587 | 34.730091 |
[
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[
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[
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27,
27,
27,
27,
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14,
14
] | [
1,
1,
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] | alex<agm003365483> | Fmmm | Co-Si-Tb | 0.079657 | null | null | -0.000113 | 2,611.926114 | 142.291504 |
[
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[
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[
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[
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35,
35,
35,
35,
35
] | [
1,
1,
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] | alex<agm003292725> | C2/m | Ag-Br | 0.011112 | null | null | 0.000018 | 3,988.26324 | 25.659149 |
[
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[
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[
3.1592701... | [
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] | [
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35,
35,
35,
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35
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1,
1,
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] | alex<agm002330395> | P2_1/m | Ag-Br | 0.060539 | null | null | -0.000112 | 5,193.127457 | 3.795402 |
[
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[
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[
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[
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] | [
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35
] | [
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1,
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] | alex<agm002757868> | R-3m | Ag-Br | 0 | null | null | 0.000059 | 5,193.127457 | 14.841281 |
[
[
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-5.210417894479882,
2.258940378043996
],
[
-7.188685731927276,
-8.660263428868875,
0.6750565939615567
],
[
-4.163092916085779,
-2.317582511498101,
-1.1017226914877785
],
[
-2.0509356273697597,
-6.88251611374979,
1.5997639720845347
]... | [
[
-6.854154942245145,
0,
-0.11769569976717995
],
[
-0.2679000479974478,
-6.9353406616743785,
-3.0875715342300443
],
[
-0.2679000479974478,
-6.9353406616743785,
6.256959905769957
]
] | [
47,
47,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003297715> | C2/m | Ag-Br | 0.006466 | null | null | -0 | 5,512.170695 | 6.943904 |
[
[
2.220446049250313e-16,
5.224142365854645,
-2.367825036042603e-16
],
[
0,
0,
0
]
] | [
[
1.231342164259918,
3.48276157723643,
2.1327471900000003
],
[
1.231342164259918,
3.48276157723643,
-2.1327471899999995
],
[
-2.4626843285198357,
3.48276157723643,
0
]
] | [
11,
35
] | [
1,
1,
1
] | mp-22916 | Fm-3m | Br-Na | 0 | 4.0895 | 27.054149 | null | 5,470.034664 | 26.3689 |
[
[
2.0358807325,
0,
4.071761465
],
[
6.1076421975,
0,
4.071761465
],
[
-2.493234822501894e-16,
4.071761465,
2.0358807325000003
],
[
-2.493234822501894e-16,
4.071761465,
6.1076421975
],
[
4.071761465,
2.0358807325,
3.739852233752841e-16
],
... | [
[
8.14352293,
0,
4.986469645003788e-16
],
[
-4.986469645003788e-16,
8.14352293,
4.986469645003788e-16
],
[
0,
0,
8.14352293
]
] | [
11,
11,
11,
11,
11,
11,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004462094> | Pm-3n | Br-Na | 0.073832 | null | null | -0 | 5,470.034664 | 23.375725 |
[
[
0,
0,
0
],
[
6.009962596704141e-16,
2.8708321746266874,
4.822836191520352e-16
]
] | [
[
1.3533232655513696,
3.8277762328355847,
2.3440246550000006
],
[
1.3533232655513696,
3.8277762328355847,
-2.3440246549999997
],
[
-2.706646531102739,
3.8277762328355847,
0
]
] | [
11,
35
] | [
1,
1,
1
] | alex<agm004461981> | F-43m | Br-Na | 0.059881 | null | null | -0 | 5,470.034664 | 10.633954 |
[
[
-3.26417332832787e-16,
5.330799591523882,
2.5460970284761175
],
[
2.4184953349999994,
6.484545338476118,
6.484545338476118
],
[
2.418495335,
1.392351281523883,
1.3923512815238832
],
[
-1.559034788120932e-16,
2.546097028476117,
5.330799591523883
],
[
... | [
[
4.83699067,
0,
2.9618025707605556e-16
],
[
-4.823208116448803e-16,
7.87689662,
4.823208116448803e-16
],
[
0,
0,
7.87689662
]
] | [
11,
11,
11,
11,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004462088> | P4_2/mnm | Br-Na | 0.060797 | null | null | -0 | 5,470.034664 | 16.69487 |
[
[
-2.528484225,
1.4598210479454727,
-1.5035507525
],
[
-2.5284842250000006,
-1.459821047945473,
-4.5106522575
],
[
-2.528484225,
1.4598210479454727,
-4.5106522575
],
[
-2.5284842250000006,
-1.459821047945473,
-1.5035507525000003
]
] | [
[
-2.5284842250000006,
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],
[
-2.5284842249999997,
4.379463143836418,
3.096500112840826e-16
],
[
0,
0,
-6.01420301
]
] | [
11,
11,
35,
35
] | [
1,
1,
1
] | alex<agm002165682> | P6_3/mmc | Br-Na | 0.029209 | null | null | -0 | 5,470.034664 | 17.289351 |
[
[
1.5021790849999999,
3.1025454241206187,
4.13217818321654
],
[
1.5021790849999999,
4.806458545073143,
1.1578542770416849
],
[
1.502179085,
0.5856714699011123,
-0.1993026733966096
],
[
-4.806067319010081e-17,
0.784890357343236,
5.244055604219166
],
[
... | [
[
3.00435817,
0,
1.83963880819135e-16
],
[
-2.9810158094030446e-16,
4.868368269902055,
-1.656694684879449
],
[
0,
0,
7.98144858
]
] | [
12,
12,
12,
13,
13,
13
] | [
1,
1,
1
] | alex<agm004464455> | Amm2 | Al-Mg | 0.086827 | null | null | -0.000155 | 763.046984 | 52.801727 |
[
[
3.6918880800000005,
-0.695532581079311,
4.188877854901862
],
[
1.2306293599999998,
3.2799083451554236,
2.696787811825375
],
[
3.69188808,
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4.088282871923511
],
[
1.23062936,
0.6955325810793106,
6.971867975098138
],
[
3.69188808... | [
[
4.92251744,
0,
3.0141726133215116e-16
],
[
-5.918405336500129e-16,
9.66548941396124,
5.580372915000002
],
[
5.918405336500129e-16,
-9.66548941396124,
5.580372914999998
]
] | [
11,
11,
11,
11,
11,
11,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004462089> | P6_3/m | Br-Na | 0.073001 | null | null | 0.000037 | 5,470.034664 | 17.49622 |
[
[
2.462635368075134e-16,
-3.49987154764079e-17,
-5.3846432132093245
],
[
-1.1347283709251492,
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-0.8023741259526405
],
[
2.2694567410956434,
-5.3393097068013236e-17,
-0.8023741254190182
],
[
2.538345152779894,
-4.396542773710251,
-5.9968... | [
[
-3.6730735253931774,
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-2.5972551978182086
],
[
-3.6730735229503884,
6.361949964506771,
-2.5972551960908956
],
[
7.346147048343566,
0,
-2.5972551960908956
]
] | [
11,
11,
11,
11,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004462085> | I-43m | Br-Na | 0.084959 | null | null | -0.000019 | 5,470.034664 | 27.494055 |
[
[
0,
0,
0
],
[
0,
0,
-3.617725
],
[
-2.095455,
-1.2098115083247476,
-5.4265875
],
[
-2.095455,
1.2098115083247474,
-1.808862500000001
]
] | [
[
-2.0954550000000003,
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],
[
-2.0954549999999994,
3.6294345249742417,
2.5661922585073167e-16
],
[
0,
0,
-7.23545
]
] | [
11,
11,
35,
35
] | [
1,
1,
1
] | alex<agm004462092> | P6_3/mmc | Br-Na | 0.019272 | null | null | 0.000007 | 5,470.034664 | 23.977531 |
[
[
-2.3279907697844413,
-1.364432688040745,
-12.801122426273123
],
[
-0.7917654148446288,
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],
[
-5.405793939825133,
-3.1683295535544294,
-6.50716626273538
],
[
-3.869568584885321,
-2.2679496561414516,
-2.575651239001525... | [
[
-2.0343121394495904,
-3.632382344182196,
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],
[
-4.163247215220172,
0,
-0.627645342637324
],
[
0,
0,
-14.12148298
]
] | [
11,
11,
11,
11,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003289805> | R-3m | Br-Na | 0.051317 | null | null | 0.000077 | 5,125.536882 | 22.400078 |
[
[
-1.2654498525913591,
-2.000478722937795,
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[
-3.006363791690316,
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-3.1403153265806596
],
[
3.0063637916903168,
0.012557445049199345,
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]
] | [
[
-1.5038171468016637,
4.000957445875589,
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],
[
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0,
-1.6274730065492993
],
[
-2.5308997051827182,
-4.000957445875589,
-3.3753724749346707
]
] | [
11,
35,
35
] | [
1,
1,
1
] | alex<agm001850202> | C2/m | Br-Na | 0.0672 | null | null | -0.00001 | 6,095.096724 | 13.835099 |
[
[
-3.2847278919690686,
-2.005484643432446,
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],
[
0,
0,
0
],
[
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],
[
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-3.5755250644454213,
-5.0769239661530925
]
] | [
[
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],
[
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0,
-1.323743436355031
],
[
0,
0,
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]
] | [
11,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002774151> | R-3m | Br-Na | 0 | null | null | 0.000047 | 6,339.918034 | 4.475365 |
[
[
-0.7183655230818472,
-1.3766966765481534,
0.9498483890445375
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[
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1.3766966765481534,
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],
[
-2.638341733171945,
1.376696676548153,
3.4885090750000005
],
[
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-1.3766966765481525,
-1.5888122969109255
... | [
[
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],
[
0,
0,
6.97701815
],
[
-3.839952420180195,
5.506786706192612,
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]
] | [
11,
11,
49,
49,
52,
52,
52,
52
] | [
1,
1,
1
] | mp-22483 | I4/mcm | In-Na-Te | 0.016275 | 0.6416 | null | null | 3,795.372512 | 17.440435 |
[
[
1.1176822924999998,
2.460827933509947,
4.188791890602229
],
[
3.3530468775,
2.121023021490053,
12.151838875602229
],
[
3.3530468774999997,
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11.737302079397772
],
[
1.1176822924999996,
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3.7742550943977724
],
[
1... | [
[
4.47072917,
0,
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],
[
-5.611149106210993e-16,
9.16370191,
5.611149106210993e-16
],
[
0,
0,
15.92609397
]
] | [
11,
11,
11,
11,
49,
49,
49,
49,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003113063> | Pnma | In-Na-Te | 0.046431 | null | null | 0.000015 | 3,795.372512 | 14.443225 |
[
[
1.6944417941369698,
6.898867166354198,
6.770943213659774
],
[
0.6469816308405955,
2.4245794923825232,
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[
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],
[
4.385937535863957,
6.520188133772733,
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],
[
... | [
[
4.4547907411815455,
0,
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],
[
1.4430099465691921,
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0.07246082019173702
],
[
0,
0,
9.08141271
]
] | [
11,
11,
49,
49,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003113039> | P1 | In-Na-Te | 0.033979 | null | null | -0 | 3,795.372512 | 17.239048 |
[
[
3.1220575437360774,
3.7996079369782207,
4.870693420293825
],
[
4.016146687031048,
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],
[
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6.480605066166091
],
[
1.395611181088925,
1.5319712287648317,
2.9723269031605506
]
] | [
[
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0,
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],
[
0.044455047887557206,
4.523566967941782,
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],
[
0,
0,
7.54928722
]
] | [
11,
49,
52,
52
] | [
1,
1,
1
] | alex<agm003113030> | Amm2 | In-Na-Te | 0.03503 | null | null | -0 | 3,795.372512 | 18.93697 |
[
[
2.0153991049161024,
1.1716999750871058,
5.0885100194013475
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[
0,
0,
0
],
[
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1.2189706737062886
],
[
2.015399125117993,
1.9724085010170274,
2.2856870640942115
],
[
1.8568594719935976e-10,
3.1039875353... | [
[
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0,
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],
[
-2.015399124696321,
5.076396036395233,
-1.564430476892364
],
[
0,
0,
7.87191117
]
] | [
65,
65,
65,
27,
27,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003338317> | C2/m | Co-Si-Tb | 0.062548 | null | null | 0.000001 | 2,699.61671 | 110.923592 |
[
[
3.4308390417134027,
0.6314395151639514,
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],
[
3.3017028351233706,
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],
[
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2.100468846848833
],
[
1.0965574113685939,
2.941877148190586,
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],
[
... | [
[
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0,
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],
[
-0.032402841701667566,
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],
[
0,
0,
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]
] | [
11,
11,
49,
49,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003113034> | P1 | In-Na-Te | 0.026798 | null | null | 0 | 3,795.372512 | 14.024578 |
[
[
-3.0611715576157277,
-1.8605984783724676,
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],
[
0,
0,
0
],
[
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],
[
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]
] | [
[
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],
[
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0,
-1.1788005672345996
],
[
0,
0,
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]
] | [
11,
49,
52,
52
] | [
1,
1,
1
] | alex<agm002165932> | R-3m | In-Na-Te | 0.061486 | null | null | 0 | 3,795.372512 | 24.334503 |
[
[
-3.0520512897212995,
-1.8497169600753418,
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[
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[
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],
[
-4.5155213808467725,
-2.7366632106951956,
-8.09915396962... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
11,
49,
52,
52
] | [
1,
1,
1
] | alex<agm005115009> | R3m | In-Na-Te | 0.076711 | null | null | 0.000014 | 3,795.372512 | 21.72084 |
[
[
-0.3375073489447638,
-3.750552836158537,
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[
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],
[
-2.6187486310963846,
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],
[
-0.3132980075284485,
-1.4750170857759553,
-0.39703165511... | [
[
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-4.575969902118982,
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],
[
-4.5762688535443585,
0,
-0.01280194637950142
],
[
0,
0,
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]
] | [
11,
49,
52,
52
] | [
1,
1,
1
] | alex<agm003113027> | P-4m2 | In-Na-Te | 0.027721 | null | null | 0 | 3,795.372512 | 19.609694 |
[
[
1.1627284013538666,
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[
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],
[
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],
[
2.096439154180335,
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]... | [
[
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0,
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],
[
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1.2381907259600795
],
[
-4.3786430218568535,
0,
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]
] | [
11,
11,
49,
49,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003113033> | Cm | In-Na-Te | 0.025785 | null | null | -0 | 3,795.372512 | 16.154152 |
[
[
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[
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[
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[
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[
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] | [
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49,
52,
52
] | [
1,
1,
1
] | alex<agm003113029> | C2 | In-Na-Te | 0.038152 | null | null | 0.000015 | 3,795.372512 | 17.556789 |
[
[
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[
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[
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[
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] | [
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11,
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49,
52,
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52
] | [
1,
1,
1
] | alex<agm003113032> | C2/m | In-Na-Te | 0.023119 | null | null | -0 | 3,795.372512 | 16.671104 |
[
[
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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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11,
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49,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003113055> | C2/c | In-Na-Te | 0.01271 | null | null | -0 | 3,795.372512 | 21.353506 |
[
[
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[
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[
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] | [
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11,
49,
49,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003113036> | P2_1 | In-Na-Te | 0.016811 | null | null | 0.000002 | 3,795.372512 | 19.27791 |
[
[
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[
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6.11803411080782... | [
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[
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] | [
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65,
65,
65,
27,
14,
14
] | [
1,
1,
1
] | alex<agm002315816> | P-62m | Co-Si-Tb | 0.059906 | null | null | 0.000009 | 2,967.560432 | 78.355789 |
[
[
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[
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1.291072684315588... | [
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] | [
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49,
52,
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52
] | [
1,
1,
1
] | alex<agm003113049> | I4_1/amd | In-Na-Te | 0.088391 | null | null | 0.000016 | 3,795.372512 | 25.922319 |
[
[
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[... | [
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] | [
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11,
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49,
52,
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52,
52
] | [
1,
1,
1
] | alex<agm003113037> | P2_1 | In-Na-Te | 0.01547 | null | null | 0.000014 | 3,795.372512 | 20.343365 |
[
[
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[
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[
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5.223... | [
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[
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] | [
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] | [
1,
1,
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] | alex<agm002165931> | I-42d | In-Na-Te | 0 | null | null | -0.000001 | 3,795.372512 | 20.066181 |
[
[
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[
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[
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[... | [
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[
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[
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52,
52,
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52
] | [
1,
1,
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] | alex<agm003612849> | P2/c | In-Na-Te | 0.027877 | null | null | 0.000019 | 3,795.372512 | 19.369606 |
[
[
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[
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[
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[
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52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
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] | alex<agm003726815> | P2_1/c | In-Na-Te | 0.09866 | null | null | -0 | 4,066.114664 | 14.238971 |
[
[
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[
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] | [
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52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003317156> | C2/m | In-Na-Te | 0.050578 | null | null | -0 | 3,949.650172 | 16.35813 |
[
[
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[
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[
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] | [
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49,
49,
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52,
52
] | [
1,
1,
1
] | alex<agm003397753> | Cmc2_1 | In-Na-Te | 0.069716 | null | null | -0 | 3,613.256402 | 19.765356 |
[
[
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[
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[
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] | [
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11,
11,
49,
49,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003544898> | C2/m | In-Na-Te | 0.056066 | null | null | -0 | 3,776.7183 | 16.646349 |
[
[
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[
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... | [
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[
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] | [
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52,
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52,
52
] | [
1,
1,
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] | alex<agm003450017> | Cccm | In-Na-Te | 0.095308 | null | null | 0.00015 | 3,894.661235 | 15.747539 |
[
[
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[
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[
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] | [
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49,
49,
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52
] | [
1,
1,
1
] | alex<agm003339107> | C2/m | In-Na-Te | 0.072537 | null | null | -0 | 3,701.72683 | 18.76741 |
[
[
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0,
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[
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[
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[
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[
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[
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] | [
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27,
27,
14,
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14
] | [
1,
1,
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] | alex<agm003456335> | P4_2/mnm | Co-Si-Tb | 0.055124 | null | null | 0.001366 | 2,629.19588 | 168.279526 |
[
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[
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[
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] | [
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49,
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] | [
1,
1,
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] | alex<agm003374211> | C2/m | In-Na-Te | 0.057459 | null | null | -0 | 3,707.513337 | 17.510855 |
[
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[
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[
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-0.891344067493... | [
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] | [
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52,
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] | [
1,
1,
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] | alex<agm003557389> | I-42m | In-Na-Te | 0.092098 | null | null | 0 | 3,646.848103 | 22.633915 |
[
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[
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] | [
1,
1,
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] | alex<agm003305313> | P2_1/c | In-Na-Te | 0.098783 | null | null | -0.000004 | 3,581.297268 | 17.315662 |
[
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[
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] | [
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] | [
1,
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] | alex<agm003408247> | C2/m | In-Na-Te | 0.082518 | null | null | 0.000071 | 3,692.778918 | 16.660374 |
[
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[... | [
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] | [
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1,
1
] | mp-22149 | P6_3mc | Au-Dy-Ge | 0 | 0 | null | 0 | 1,941.031748 | 83.443489 |
[
[
0,
0,
-3.806135175
],
[
0,
0,
0
],
[
-2.21347102,
-1.277948089240436,
-5.7092027625
],
[
-2.21347102,
1.2779480892404358,
-1.9030675875
],
[
-2.21347102,
-1.277948089240436,
-1.9030675875000003
],
[
-2.21347102,
1.277948089240... | [
[
-2.2134710200000005,
-3.833844267721307,
-5.421440399296854e-16
],
[
-2.2134710199999996,
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2.710720199648427e-16
],
[
0,
0,
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]
] | [
66,
66,
32,
32,
79,
79
] | [
1,
1,
1
] | alex<agm002339590> | P6_3/mmc | Au-Dy-Ge | 0.080547 | null | null | -0.000108 | 1,941.031748 | 80.781303 |
[
[
1.0797963774999997,
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5.567846944362732
],
[
3.2393891324999995,
3.4566522167209497,
2.4760069956372694
],
[
1.0797963775,
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6.4979339656372685
],
[
3.239389132499999,
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1.5459199743627319
],
[
1.07... | [
[
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0,
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[
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7.16846598,
4.389419458601847e-16
],
[
0,
0,
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]
] | [
66,
66,
66,
66,
32,
32,
32,
32,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002278657> | Pnma | Au-Dy-Ge | 0.062927 | null | null | -0 | 1,941.031748 | 90.452515 |
[
[
1.2518296489923901,
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[
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0,
4.45013358
],
[
3.1596064337309944,
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2.2250667899999996
]
] | [
[
3.7111542,
0,
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[
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2.225066790000001
],
[
2.3598507419831124e-16,
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2.225066789999999
]
] | [
66,
32,
79
] | [
1,
1,
1
] | alex<agm001258670> | P3m1 | Au-Dy-Ge | 0.083556 | null | null | 0.000001 | 1,941.031748 | 78.915718 |
[
[
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[
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0.8015976921450602,
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],
[
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3.1841589706471827,
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],
[
-3.2471801499058235,
1.8031128689453837,
-3.679375121940482... | [
[
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0,
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[
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6.368317941294366,
-2.97424467208983
],
[
0.7987337206897304,
-6.368317941294366,
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]
] | [
66,
66,
66,
32,
32,
32,
32,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002277539> | Immm | Au-Dy-Ge | 0.063811 | null | null | -0 | 1,820.762778 | 87.100029 |
[
[
3.3843358257148894,
1.5162036282120044,
4.737968729135498
],
[
0.5717888463200286,
2.793310581417831,
9.91017601876307
],
[
0,
0,
0
],
[
1.134630023107708,
3.490256079374976,
5.773740284469323
],
[
1.5295766495004957,
1.9545835742938373,
... | [
[
4.062466654770015,
0,
0.6313657857093418
],
[
-0.10634198273509675,
4.309514209629835,
0.7143428921892254
],
[
0,
0,
13.30243607
]
] | [
66,
66,
66,
32,
32,
32,
32,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002277538> | C2/m | Au-Dy-Ge | 0.099962 | null | null | 0.000258 | 1,820.762778 | 85.622559 |
[
[
-6.154796659718251,
-4.56935133049661,
-2.8440183604277856
],
[
-0.7645994829834967,
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],
[
-1.5276207668429553,
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-6.557867183912864
],
[
-6.91781794357771,
-3.3021641999610405,
-6.51240128542778... | [
[
-2.448501891208996,
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],
[
-5.233915535352209,
0,
-1.0325598471703248
],
[
0,
0,
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]
] | [
65,
65,
65,
65,
27,
27,
27,
27,
14,
14
] | [
1,
1,
1
] | alex<agm002317060> | C2/c | Co-Si-Tb | 0.018416 | null | null | -0.000037 | 2,871.182593 | 106.678131 |
[
[
1.669490344413389,
4.380194671206918,
2.4160404679812415
],
[
5.016167429458972,
4.114227824671027,
7.215596016890592
],
[
4.60482716029717,
0.9899025666419418,
8.953927881757894
],
[
1.258150075251587,
1.2558694131778327,
4.154372332848543
],
[
... | [
[
4.24471636068749,
0,
1.0044242503727756
],
[
2.029601144023069,
5.37009723784886,
0.8942051493663598
],
[
0,
0,
9.47133895
]
] | [
66,
66,
66,
66,
32,
32,
32,
32,
79,
79
] | [
1,
1,
1
] | alex<agm002277009> | C2/m | Au-Dy-Ge | 0.084099 | null | null | 0.000376 | 2,218.817807 | 83.190453 |
[
[
1.08385385,
1.2142635968636974,
3.0105395369160286
],
[
3.2515615499999995,
4.29930433642852,
2.9455835305497327
],
[
3.2515615499999995,
4.305135706417486,
-1.0300796733042072
],
[
1.08385385,
1.2084322268747303,
6.9862027407699685
],
[
3.251561... | [
[
4.3354154,
0,
2.6546762962920706e-16
],
[
-3.3760866606939007e-16,
5.513567933292217,
-2.0662513025342384
],
[
0,
0,
8.02237437
]
] | [
66,
66,
66,
66,
32,
32,
79,
79
] | [
1,
1,
1
] | alex<agm003628715> | P2_1/m | Au-Dy-Ge | 0.05767 | null | null | 0.000513 | 2,257.766125 | 77.219887 |
[
[
2.057656805,
2.088569505,
6.944772416759562
],
[
2.057656805,
0,
1.528367276708357
],
[
0,
0,
9.39836244157554
],
[
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2.088569505,
3.9598880034047417
],
[
2.057656805,
0,
4.494354811252991
],
[
0,
0,
... | [
[
4.11531361,
0,
2.5199028199870195e-16
],
[
-2.557759959095022e-16,
4.17713901,
2.557759959095022e-16
],
[
0,
0,
10.91491247
]
] | [
66,
66,
66,
66,
32,
32,
32,
79
] | [
1,
1,
1
] | alex<agm003552953> | Pmm2 | Au-Dy-Ge | 0.065142 | null | null | 0.000212 | 2,466.004028 | 77.787086 |
[
[
4.068112,
-2.6390360607504033,
5.975746069924625
],
[
-5.6153932247263586e-33,
-1.8701175771883468e-16,
3.04729636015075
],
[
4.068112,
2.6390360607504033,
5.975746069924626
],
[
2.034055999999999,
4.804805814927029,
4.725338319348
],
[
2.034056,... | [
[
4.068112,
0,
2.491000169686469e-16
],
[
-3.9768359234929722e-16,
6.4946659334949475,
3.7496971250000013
],
[
3.9768359234929722e-16,
-6.4946659334949475,
3.7496971249999986
]
] | [
70,
70,
70,
50,
50,
50,
78,
78,
78
] | [
1,
1,
1
] | mp-22779 | P-62m | Pt-Sn-Yb | 0.009157 | 0 | null | 0.00001 | 5,138.557291 | 88.357468 |
[
[
0,
0,
0
],
[
0,
0,
-3.33888794
],
[
-2.3636164600000003,
-1.3646345994420306,
-5.008331910000001
],
[
-2.36361646,
1.3646345994420304,
-1.66944397
],
[
-2.3636164600000003,
-1.3646345994420306,
-1.6694439700000003
],
[
-2.36361646... | [
[
-2.3636164600000003,
-4.093903798326091,
-5.789190664301995e-16
],
[
-2.3636164599999994,
4.093903798326091,
2.8945953321509976e-16
],
[
0,
0,
-6.67777588
]
] | [
70,
70,
50,
50,
78,
78
] | [
1,
1,
1
] | alex<agm002383294> | P6_3/mmc | Pt-Sn-Yb | 0.065113 | null | null | -0 | 5,138.557291 | 82.955818 |
[
[
-1.5362290924301765,
-0.9925731274819355,
-3.771159076372711
],
[
1.8692566470417886,
-4.356918743166456,
-1.5438963914855708
],
[
-0.264185073963277,
-1.5569394378180643,
-0.6485256910372325
],
[
0.5972126285748897,
-3.7925524328303273,
-4.6665297768210... | [
[
4.2852515768987764,
0,
-1.7456511401764814
],
[
0.3330275546116124,
-5.349491870648391,
0.8175212221417166
],
[
-4.2852515768987764,
0,
-4.386925549823518
]
] | [
70,
70,
50,
50,
78,
78
] | [
1,
1,
1
] | alex<agm002320446> | C2/m | Pt-Sn-Yb | 0.096486 | null | null | 0.000045 | 5,138.557291 | 64.528992 |
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