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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[
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[
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81
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81
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1
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[
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3... | [
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81,
81
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1
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[
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81,
81,
81,
81
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1,
1,
1
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[
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[
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5.56... | [
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69,
69,
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81
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1,
1,
1
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[
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69,
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81,
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81
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1,
1,
1
] | alex<agm003415014> | P4/mmm | Mg-Tl-Tm | 0.071276 | null | null | 0.001076 | 5,172.663104 | 38.553207 |
[
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81,
81,
81
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1
] | alex<agm003379184> | Immm | Mg-Tl-Tm | 0.089262 | null | null | -0.000156 | 4,877.517862 | 41.529171 |
[
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19,
30,
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51,
51
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1,
1,
1
] | alex<agm003088257> | C2/m | K-Sb-Zn | 0.083865 | null | null | 0.000029 | 3,623.010749 | 19.169695 |
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[
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81,
81
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1,
1
] | alex<agm003340050> | C2/m | Mg-Tl-Tm | 0.078046 | null | null | -0.000002 | 5,032.506602 | 35.500576 |
[
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[
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6.0205... | [
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25,
9,
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1,
1
] | mp-1205992 | Fm-3m | F-Hf-Mn | 0 | 4.9479 | null | 0.035169 | 2,112.576577 | 30.508753 |
[
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[
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[
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-1.4966566663... | [
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[
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25,
9,
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[
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] | alex<agm003514565> | C2/m | F-Hf-Mn | 0.074387 | null | null | 0.0665 | 2,020.722381 | 56.661682 |
[
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[
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[
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[
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16,
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16,
16
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1,
1,
1
] | mp-1190059 | Pnma | Eu-Hf-S | 0 | 0.1287 | null | null | 2,417.343999 | 43.086693 |
[
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[
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... | [
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27,
27,
27,
27,
27,
1,
1,
1,
1
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1,
1,
1
] | mp-1205715 | Cmmm | Ce-Co-H | 0.042334 | 0 | null | 0.058974 | 2,828.906908 | 104.853264 |
[
[
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[
3.468... | [
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58,
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58,
27,
27,
1,
1,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm003447673> | P2_1/m | Ce-Co-H | 0.096974 | null | null | 0.02041 | 3,030.496176 | 47.105656 |
[
[
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[
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[
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[
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] | [
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58,
27,
27,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm003636109> | C2/c | Ce-Co-H | 0.089304 | null | null | 0.000734 | 2,981.570594 | 42.139393 |
[
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[
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[
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] | [
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27,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm003775601> | R-3m | Ce-Co-H | 0 | null | null | 0.016048 | 2,981.570594 | 64.50882 |
[
[
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[
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[
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[
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[
3.68... | [
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[
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19,
19,
19,
30,
30,
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30,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002218095> | Pnma | K-Sb-Zn | 0.061296 | null | null | -0.000088 | 3,623.010749 | 24.11059 |
[
[
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[
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[
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27,
27,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm003498406> | C2/m | Ce-Co-H | 0.061953 | null | null | 0.00324 | 2,917.248937 | 56.039486 |
[
[
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[
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[
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-1.61690293892710... | [
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[
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0,
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] | [
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58,
58,
58,
27,
27,
1,
1
] | [
1,
1,
1
] | alex<agm003637613> | C2/m | Ce-Co-H | 0.05028 | null | null | 0.001159 | 3,030.496176 | 62.399181 |
[
[
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[
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[
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3.1537593114410924,
2.537792194787968... | [
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[
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] | [
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58,
27,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm003470485> | I4mm | Ce-Co-H | 0.071004 | null | null | 0.033671 | 3,030.496176 | 48.502266 |
[
[
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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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58,
27,
27,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm002215779> | Cmcm | Ce-Co-H | 0.005998 | null | null | 0.018039 | 2,981.570594 | 71.525505 |
[
[
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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,
1,
1,
1
] | [
1,
1,
1
] | alex<agm001105141> | Pm-3m | Ce-Co-H | 0.01581 | null | null | -0.002056 | 2,981.570594 | 85.036285 |
[
[
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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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27,
27,
1,
1,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm003535528> | Cmmm | Ce-Co-H | 0 | null | null | 0.015931 | 2,917.248937 | 103.071594 |
[
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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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59,
59,
59,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | mp-1205890 | P4/mbm | Au-In-Pr | 0 | 0 | null | 0.000031 | 1,893.827636 | 69.471878 |
[
[
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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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49,
79,
79
] | [
1,
1,
1
] | mp-570611 | Fm-3m | Au-In-Pr | 0 | 0 | null | -0 | 1,632.215053 | 74.235359 |
[
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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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[
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[
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] | [
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19,
30,
30,
51,
51
] | [
1,
1,
1
] | alex<agm002155975> | P4/nmm | K-Sb-Zn | 0.03976 | null | null | 0.000012 | 3,623.010749 | 21.028677 |
[
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[
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[
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[
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[
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1.4... | [
[
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[
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[
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0,
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] | [
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59,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002217323> | P6_3/mmc | Au-In-Pr | 0.013104 | null | null | 0.000365 | 1,632.215053 | 70.424911 |
[
[
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[
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[
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[
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[
3.620... | [
[
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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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59,
59,
59,
49,
49,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002281539> | Pnma | Au-In-Pr | 0.043194 | null | null | 0.000211 | 1,907.29208 | 60.471054 |
[
[
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[
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[
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[
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[
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[
-2.4... | [
[
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[
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[
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0,
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] | [
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59,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm003285157> | P6_3/mmc | Au-In-Pr | 0.072201 | null | null | 0.000003 | 1,907.29208 | 59.134659 |
[
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[
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[
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[
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[
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1.406573... | [
[
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[
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[
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0,
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] | [
59,
59,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm002281538> | P-6m2 | Au-In-Pr | 0.059805 | null | null | 0.000156 | 1,907.29208 | 52.387398 |
[
[
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[
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[
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0,
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] | [
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[
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[
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-4.247187584136423,
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]
] | [
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49,
79
] | [
1,
1,
1
] | alex<agm001269577> | P-6m2 | Au-In-Pr | 0.061492 | null | null | 0.00226 | 1,907.29208 | 59.362999 |
[
[
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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,
0,
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]
] | [
59,
59,
49,
79
] | [
1,
1,
1
] | alex<agm001209747> | P4/mmm | Au-In-Pr | 0.091886 | null | null | 0.000271 | 2,190.414902 | 58.32769 |
[
[
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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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]
] | [
59,
59,
49,
79
] | [
1,
1,
1
] | alex<agm001140811> | P4/mmm | Au-In-Pr | 0.036554 | null | null | 0.003283 | 2,190.414902 | 59.698681 |
[
[
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[
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1.1272754985025555e-15
],
[
5.704681383155307e-16,
6.657382464264299,
1.7137102870101727e-15
],
[
0,
0,
0
]
] | [
[
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[
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4.4382549761762,
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],
[
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0
]
] | [
59,
59,
49,
79
] | [
1,
1,
1
] | alex<agm002341190> | Fm-3m | Au-In-Pr | 0.095137 | null | null | 0.000203 | 2,190.414902 | 55.654324 |
[
[
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-3.162469729419795,
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[
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[
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[
0.2740982617791295,
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1.012687125723751
... | [
[
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0,
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[
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[
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0,
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] | [
59,
59,
59,
59,
59,
59,
59,
59,
49,
49,
79
] | [
1,
1,
1
] | alex<agm003531781> | C2/m | Au-In-Pr | 0.048758 | null | null | 0 | 2,671.243369 | 47.569408 |
[
[
0,
0,
0
],
[
1.0772971503040185,
-1.0130842888527423,
4.348375875
],
[
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1.0130842888527423,
3.3425249602405414
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[
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2.1700154448736426
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[
1.367782906323279,
1.4544778192990018,
5.... | [
[
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[
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0,
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[
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4.052337155410968,
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] | [
19,
30,
30,
51,
51
] | [
1,
1,
1
] | alex<agm002928134> | I4/mmm | K-Sb-Zn | 0.008339 | null | null | -0.000128 | 3,284.738084 | 27.839733 |
[
[
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3.485776384716948,
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[
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0,
0
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[
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[
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[
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6.38933... | [
[
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[
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[
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0
]
] | [
59,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm001177055> | F-43m | Au-In-Pr | 0.084155 | null | null | 0.000001 | 1,393.567691 | 87.726631 |
[
[
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0
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[
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[
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0,
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[
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2.450763755,
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[
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0,
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[
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... | [
[
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0,
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[
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4.90152751,
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],
[
0,
0,
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]
] | [
59,
49,
49,
49,
49,
49,
79
] | [
1,
1,
1
] | alex<agm002281905> | P4/mmm | Au-In-Pr | 0.044524 | null | null | -0 | 1,953.980482 | 42.537434 |
[
[
0,
0,
0
],
[
-6.7750868385414025,
-4.156654025592732,
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[
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[
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],
[
-2.6353333055318955,
-1.61683075... | [
[
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],
[
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0,
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[
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0,
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] | [
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49,
49,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003539538> | R-3m | Au-In-Pr | 0.08851 | null | null | 0.000358 | 1,245.208836 | 98.87561 |
[
[
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-3.4718442297482226,
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[
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[
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[
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3.435416806847089,
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... | [
[
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0,
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[
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[
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] | [
59,
49,
49,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003499079> | Immm | Au-In-Pr | 0.096882 | null | null | -0.000019 | 1,338.54763 | 84.310997 |
[
[
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3.923170103272868,
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],
[
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[
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[
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1.425968860174515,
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],
[
... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
59,
59,
59,
59,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm003403485> | C2/m | Au-In-Pr | 0.059939 | null | null | -0 | 2,159.553091 | 54.850975 |
[
[
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-1.363310819730539,
-4.56054463
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[
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[
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1.3633108197305388,
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],
[
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],
[
1.22... | [
[
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],
[
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0,
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[
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] | [
59,
59,
59,
59,
49,
49,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003428121> | Fmmm | Au-In-Pr | 0.043615 | null | null | 0.00022 | 1,715.550898 | 67.641922 |
[
[
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[
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[
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6.498881197668331,
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[
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0,
0.5898118829236791
],
[
1.2323859000654... | [
[
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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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59,
59,
49,
49,
49,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003376706> | Immm | Au-In-Pr | 0.064665 | null | null | 0.000049 | 1,525.915403 | 82.34742 |
[
[
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[
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2.30571135,
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],
[
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0,
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[
0,
0,
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]
] | [
[
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0,
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[
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4.6114227,
2.8236820245352226e-16
],
[
0,
0,
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]
] | [
59,
49,
49,
79
] | [
1,
1,
1
] | alex<agm001209205> | P4/mmm | Au-In-Pr | 0.086988 | null | null | -0.000001 | 1,926.048637 | 55.637463 |
[
[
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0
],
[
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[
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1.7429225428958568,
3.9652126220507036
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[
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3.368657595
],
[
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1.1069486584785597,
... | [
[
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[
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0,
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[
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] | [
19,
30,
30,
51,
51
] | [
1,
1,
1
] | alex<agm002928135> | I4/mmm | K-Sb-Zn | 0.083244 | null | null | 0.000063 | 3,284.738084 | 29.44171 |
[
[
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[
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[
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[
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4.138213599037217,
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[
0... | [
[
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0,
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[
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[
0,
0,
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]
] | [
59,
59,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm002217009> | Cmcm | Au-In-Pr | 0.02392 | null | null | 0.000084 | 1,926.048637 | 65.753647 |
[
[
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[
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[
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0,
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[
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3.9711240190328163,
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[
2.319246976... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
59,
59,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm002281808> | C2/m | Au-In-Pr | 0.062983 | null | null | -0.000049 | 1,917.725831 | 65.264359 |
[
[
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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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8.15553691,
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],
[
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0,
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] | [
59,
59,
59,
59,
49,
49,
49,
49,
49,
49,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003335694> | Cmce | Au-In-Pr | 0.069279 | null | null | -0 | 1,662.07664 | 71.050125 |
[
[
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2.324885305,
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[
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0,
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[
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2.324885305,
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[
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0,
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],
[
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0,
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],
[
2.324885305... | [
[
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0,
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],
[
-2.847163347152968e-16,
4.64977061,
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],
[
0,
0,
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]
] | [
59,
59,
49,
49,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002281248> | P4/nmm | Au-In-Pr | 0.047779 | null | null | 0.000083 | 1,687.453266 | 56.090996 |
[
[
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[
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[
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[
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],
[
1.7972858840856545,
-1.05714167449573... | [
[
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0,
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],
[
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],
[
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-5.657644768373989,
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]
] | [
59,
59,
49,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003490449> | P-3m1 | Au-In-Pr | 0.048689 | null | null | 0.000002 | 1,447.678335 | 80.808937 |
[
[
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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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]
] | [
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59,
59,
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49,
49,
49,
49,
49,
49,
49,
49,
49,
49,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003346619> | Ibam | Au-In-Pr | 0.039525 | null | null | -0 | 1,805.846071 | 54.154472 |
[
[
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[
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[
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],
[
-3.0164389755725516,
0.9350246528308112,
-2.770563146116... | [
[
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0,
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],
[
-0.8617041175973627,
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],
[
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-6.976503701559241,
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]
] | [
59,
59,
59,
49,
49,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003381634> | Immm | Au-In-Pr | 0.043144 | null | null | 0.00039 | 1,806.647986 | 60.933155 |
[
[
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[
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[
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],
[
-1.3148865194783816,
-2.8324554148692727,
-5.8889708095796... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
59,
59,
59,
59,
59,
59,
49,
79
] | [
1,
1,
1
] | alex<agm003767479> | R-3 | Au-In-Pr | 0.099139 | null | null | -0.000008 | 2,633.429503 | 55.366604 |
[
[
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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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[
-5.180928415460291,
0,
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]
] | [
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49,
49,
49,
49,
49,
49,
49,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | mp-1216978 | Imm2 | Cu-In-Tm | 0.079451 | 0 | null | 0.000001 | 2,020.894944 | 52.094784 |
[
[
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[
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[
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[
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-3.1793377014448962,
-3.7067520496311... | [
[
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],
[
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0,
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[
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0,
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] | [
19,
19,
19,
19,
30,
51,
51
] | [
1,
1,
1
] | alex<agm002155488> | R-3m | K-Sb-Zn | 0 | null | null | 0.000008 | 4,466.316329 | 14.792321 |
[
[
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11.196671916819477
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[
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[
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[
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[
2.70614342999... | [
[
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0,
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[
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[
0,
0,
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] | [
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59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
49,
49,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm003580507> | Pnnm | Au-In-Pr | 0.093747 | null | null | 0.001836 | 2,528.546863 | 45.433273 |
[
[
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0
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[
0,
0,
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[
0,
0,
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[
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[
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[
1.8934201849999999,
1.893420185,
1.8351929864... | [
[
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0,
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[
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3.78684037,
2.3187709690012395e-16
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[
0,
0,
11.49082494
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] | [
59,
59,
59,
49,
79,
79
] | [
1,
1,
1
] | alex<agm003438490> | P4/mmm | Au-In-Pr | 0.04283 | null | null | 0.000387 | 2,076.289945 | 63.675308 |
[
[
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5.996815432862029,
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],
[
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[
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4.4287338829284595
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[
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0.7759613555286612
],
[
-... | [
[
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0,
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[
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[
0,
0,
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] | [
59,
59,
59,
59,
49,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm003367708> | P2/m | Au-In-Pr | 0.079224 | null | null | 0.000467 | 2,147.592446 | 53.709743 |
[
[
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7.104792447586764,
0.22309644392329844
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[
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0.223096443923298,
7.104792447586764
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[
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3.9465889816045743,
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[
2.626318235,
1.248332998395426,
1.248332998395426... | [
[
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0,
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[
-6.36194457462723e-16,
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],
[
0,
0,
10.38984396
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] | [
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59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | alex<agm003490448> | P4_2/mnm | Au-In-Pr | 0.05831 | null | null | 0.001397 | 2,576.25471 | 53.809921 |
[
[
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1.89430421,
2.080357698194776
],
[
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1.89430421,
5.74803147713553
],
[
1.8943042099999998,
1.89430421,
9.42957994
],
[
1.8943042099999998,
1.89430421,
13.111128402864471
],
[
1.8943042099999998,
1.8943042... | [
[
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0,
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[
-2.3198535873878555e-16,
3.78860842,
2.3198535873878555e-16
],
[
0,
0,
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]
] | [
59,
59,
59,
59,
59,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003646148> | P4/mmm | Au-In-Pr | 0.048215 | null | null | 0.000677 | 1,991.989783 | 68.361961 |
[
[
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-0.9967367548381999,
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[
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-3.0257572015433674
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[
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0.3088814916235093
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[
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2.7481487629930426
... | [
[
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0,
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[
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4.2963755761898
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[
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0,
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] | [
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59,
49,
49,
49,
49,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003426571> | C2/m | Au-In-Pr | 0.018191 | null | null | -0.000056 | 1,728.265507 | 56.997982 |
[
[
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3.8526857447827516,
2.2243491518533562
],
[
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1.5547515712799198e-16,
3.0457160562932906
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[
1.9923871900000003,
-3.85268574478275,
2.2243491518533545
],
[
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-1.6744430475343972,
0.9667401442366821
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[
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0,
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[
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6.490353222246896,
3.7472071800000015
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[
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-6.490353222246896,
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] | [
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65,
65,
50,
50,
50,
77,
77,
77
] | [
1,
1,
1
] | mp-1205755 | P-62m | Ir-Sn-Tb | 0 | 0 | null | null | 5,175.624396 | 128.648392 |
[
[
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3.344319142919477,
6.5642601687636954
],
[
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3.668659297080523,
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[
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0.16217007708052322,
2.529282398763695
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[
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[
3.438984... | [
[
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0,
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[
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7.01297844,
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],
[
0,
0,
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] | [
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65,
65,
65,
50,
50,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002320740> | Pnma | Ir-Sn-Tb | 0.015256 | null | null | -0 | 5,175.624396 | 119.580551 |
[
[
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[
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[
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0,
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[
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3.78395343,
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[
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5.675930145,
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],
[
5.6759301... | [
[
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0,
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],
[
-4.634006456172148e-16,
7.56790686,
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[
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0,
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] | [
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19,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm005404305> | Pm-3n | K-Sb-Zn | 0.054809 | null | null | -0.000009 | 3,157.299911 | 34.258595 |
[
[
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[
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[
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4.150546825
],
[
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1.685253405,
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] | [
[
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0,
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[
-2.0638401881854282e-16,
3.37050681,
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],
[
0,
0,
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] | [
65,
65,
50,
77
] | [
1,
1,
1
] | alex<agm001127619> | P4/mmm | Ir-Sn-Tb | 0.059423 | null | null | -0.000028 | 4,651.004433 | 78.601387 |
[
[
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[
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[
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[
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4.4341768529320715,
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[
... | [
[
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0,
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[
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5.922908648377459,
-2.06720296415806
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[
0,
0,
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]
] | [
65,
65,
65,
65,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003629221> | P2_1/m | Ir-Sn-Tb | 0 | null | null | -0.000085 | 4,651.004433 | 74.96106 |
[
[
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[
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[
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[
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[
1.4024624719572587,
0.17589748500... | [
[
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[
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0,
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[
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6.777291510662217,
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] | [
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65,
65,
65,
65,
65,
65,
65,
65,
65,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm003477533> | I4/mcm | Ir-Sn-Tb | 0.02259 | null | null | -0.000009 | 4,740.150235 | 85.088631 |
[
[
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-2.9400767798328076,
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[
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[
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[
0.2555237009488748,
-5.074717819135387,
0.9943277688807... | [
[
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0,
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[
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[
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0,
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] | [
65,
65,
65,
65,
65,
65,
65,
65,
50,
50,
77
] | [
1,
1,
1
] | alex<agm003528820> | C2/m | Ir-Sn-Tb | 0.085683 | null | null | 0.000218 | 3,568.638065 | 66.306786 |
[
[
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[
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[
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[
-0.8770694435523766,
3.4568740876817032,
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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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65,
65,
65,
50,
50,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002357778> | C2/c | Ir-Sn-Tb | 0 | null | null | -0.00001 | 5,692.634276 | 116.448326 |
[
[
-2.593916418297462,
-1.5534646537963492,
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[
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[
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-3.203787780168807,
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[
-4.1052750487171705,
-2.4585987571951398,
-2.9608767853146256... | [
[
-2.1482080068635048,
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],
[
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0,
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],
[
0,
0,
-10.15931397
]
] | [
65,
65,
65,
65,
50,
77,
77
] | [
1,
1,
1
] | alex<agm003458567> | R-3m | Ir-Sn-Tb | 0.09145 | null | null | 0 | 4,969.032443 | 79.877457 |
[
[
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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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]
] | [
65,
65,
65,
65,
65,
65,
50,
50,
77
] | [
1,
1,
1
] | alex<agm002383346> | P-62m | Ir-Sn-Tb | 0.04603 | null | null | -0 | 3,676.329007 | 64.754242 |
[
[
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[
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[
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[
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4.152864257227582,
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],
[
... | [
[
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0,
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[
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[
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0,
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] | [
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65,
65,
65,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002357672> | C2/m | Ir-Sn-Tb | 0.008066 | null | null | 0.000164 | 4,166.468385 | 81.396385 |
[
[
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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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65,
65,
50,
50,
50,
50,
50,
50,
50,
77,
77
] | [
1,
1,
1
] | alex<agm002357733> | Cmmm | Ir-Sn-Tb | 0.09246 | null | null | 0.000168 | 3,726.498936 | 70.090302 |
[
[
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[
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[
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[
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... | [
[
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[
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0,
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[
0,
0,
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] | [
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19,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003549324> | R-3 | K-Sb-Zn | 0.069893 | null | null | 0 | 3,157.299911 | 38.05619 |
[
[
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0
],
[
0,
4.930014373638033,
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[
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],
[
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7.395021560457051,
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]
] | [
[
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[
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3.2866762490920225,
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[
-2.3240310632977357,
3.2866762490920225,
0
]
] | [
30,
14,
28,
28
] | [
1,
1,
1
] | mp-1206365 | Fm-3m | Ni-Si-Zn | 0.074235 | 0 | null | null | 1,557.477121 | 169.841339 |
[
[
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[
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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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[
-1.6951286489217634e-16,
2.76835517,
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],
[
0,
0,
6.15055399
]
] | [
30,
14,
28,
28
] | [
1,
1,
1
] | mp-1215533 | P4/mmm | Ni-Si-Zn | 0.037946 | 0 | null | null | 1,557.477121 | 161.414749 |
[
[
-7.938806180939277e-10,
3.703629086556816,
7.405468974387812
],
[
-1.7347318639431525e-10,
0.8092907763181502,
6.341838972079315
],
[
1.819475854876391,
0.5766654162836657,
1.2935646487033428
],
[
1.819475854255983,
3.4710037265223312,
2.3571946510118393... | [
[
3.63895171,
0,
2.228215281951644e-16
],
[
-1.8194758559174902,
4.280294502840482,
-0.5431584769088457
],
[
0,
0,
9.2421921
]
] | [
30,
30,
30,
30,
14,
14,
14,
14,
28,
28
] | [
1,
1,
1
] | alex<agm002356494> | C2/m | Ni-Si-Zn | 0.084978 | null | null | -0.000064 | 1,598.670886 | 119.022934 |
[
[
-4.687962892494682,
-3.469366145536396,
-7.2727755891529595
],
[
-0.6528497786183771,
-0.4831469386597965,
-1.0128130367501698
],
[
-2.67040633555653,
-1.9762565420980966,
-4.1427943129515645
],
[
-4.736882094360081,
-1.9762565420980966,
-5.0797154569273... | [
[
-1.2078611535059582,
-3.9525130841961933,
-1.8738422879515648
],
[
-4.132951517607102,
0,
-1.8738422879515648
],
[
0,
0,
-4.53790405
]
] | [
30,
30,
14,
28,
28,
28
] | [
1,
1,
1
] | alex<agm002187812> | R-3m | Ni-Si-Zn | 0.070486 | null | null | -0 | 1,614.287501 | 144.602173 |
[
[
-1.7409894490769706,
0,
-6.003453717116009
],
[
0.9237273977969153,
-1.7872481046480049,
-3.323047995286197
],
[
-0.3867989264313274,
-3.5976709083077365,
-1.3337987586424356
],
[
-1.1072964800148053,
-2.8538085887517255,
-3.81829032475372
],
[
1... | [
[
3.481978898153942,
0,
-1.0097668457679827
],
[
0.5369284713655875,
-5.384919012955741,
1.8514903860713672
],
[
-3.481978898153942,
0,
-5.498570294232017
]
] | [
30,
14,
14,
28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003527233> | C2/m | Ni-Si-Zn | 0.048436 | null | null | -0.000007 | 1,496.748754 | 193.003464 |
[
[
-1.1626809508664024e-16,
1.89880209,
1.7876671771367556
],
[
1.89880209,
0,
3.851555432863244
],
[
-1.1626809508664024e-16,
1.89880209,
4.227058578212272
],
[
1.89880209,
0,
1.412164031787728
],
[
0,
0,
0
],
[
1.8988020899999998,
... | [
[
3.79760418,
0,
2.3253619017328047e-16
],
[
-2.3253619017328047e-16,
3.79760418,
2.3253619017328047e-16
],
[
0,
0,
5.63922261
]
] | [
30,
30,
14,
14,
28,
28
] | [
1,
1,
1
] | alex<agm002317543> | P4/nmm | Ni-Si-Zn | 0.095403 | null | null | -0.000114 | 1,579.64398 | 126.338455 |
[
[
-2.0022782800000005,
1.1560159039505407,
-3.3111925232840314
],
[
-2.00227828,
-1.1560159039505409,
-7.229902033284032
],
[
-2.00227828,
-1.1560159039505409,
-4.526226496715968
],
[
-2.0022782800000005,
1.1560159039505407,
-0.6075169867159684
],
[
... | [
[
-2.0022782800000005,
-3.468047711851623,
-4.904167373208536e-16
],
[
-2.0022782799999996,
3.468047711851623,
2.452083686604268e-16
],
[
0,
0,
-7.83741902
]
] | [
30,
30,
30,
30,
14,
14,
28,
28
] | [
1,
1,
1
] | alex<agm002317544> | P6_3/mmc | Ni-Si-Zn | 0.07044 | null | null | -0.000291 | 1,675.942075 | 105.905563 |
[
[
3.5904513476540947,
-1.8471737786322258,
3.1993988349999998
],
[
1.5159394423459054,
1.8471737786322253,
3.199398835
],
[
0,
0,
0
],
[
4.019523493370029,
3.8718778036158694,
3.199398835000001
],
[
4.019523493370029,
0.8348217661404037,
4.... | [
[
5.10639079,
0,
3.126762568084512e-16
],
[
-3.3932031832063144e-16,
5.541521335896676,
3.199398835000001
],
[
3.3932031832063144e-16,
-5.541521335896676,
3.1993988349999993
]
] | [
55,
55,
75,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1205774 | P-3m1 | Cs-F-Re | 0 | 1.8006 | null | null | 4,205.475529 | 22.602179 |
[
[
4.440892098500626e-16,
12.042421633692491,
1.2212453270876722e-15
],
[
-1.1102230246251565e-16,
4.014140544564164,
8.079683622153055e-16
],
[
0,
0,
0
],
[
-1.080751892965499,
9.556695073720535,
-1.8719171889924848
],
[
1.0807518929654993,
6.4... | [
[
1.892283999798121,
5.352187392752219,
3.277532030000001
],
[
1.892283999798121,
5.352187392752219,
-3.2775320299999993
],
[
-3.7845679995962413,
5.352187392752219,
0
]
] | [
55,
55,
75,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270730> | Fm-3m | Cs-F-Re | 0.002151 | null | null | 0.015063 | 4,205.475529 | 29.708794 |
[
[
0.44554985256112356,
0.4567942334346969,
-11.146663200285394
],
[
-0.49513427498925666,
-0.5076300222990942,
-3.113359646225765
],
[
1.0484478510375959,
-1.0863853449128797,
-7.127825785308698
],
[
-1.1121739914071895,
1.0210509423257155,
-7.127825785308... | [
[
-0.10506190246722995,
4.214872574477191,
-0.6353838798795327
],
[
4.21618178242234,
0,
-0.6353838798795327
],
[
-4.11111987995511,
-4.214872574477191,
-13.004581880240934
]
] | [
19,
19,
30,
30,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003631739> | Fmm2 | K-Sb-Zn | 0.026349 | null | null | 0 | 3,544.988741 | 20.955751 |
[
[
-2.3641218619481608,
-2.6706876269767594,
-2.1207728953409033
],
[
0,
0,
0
],
[
-4.281223430116669,
-0.4331748503451225,
-3.3127806568434432
],
[
0.025804114881773654,
-3.7813678559086,
-3.8976430667602053
],
[
-1.4445918992279045,
-1.0392233... | [
[
0.6528852203386787,
-5.341375253953519,
0.585681009659097
],
[
-5.381128944235002,
0,
0.585681009659097
],
[
0,
0,
-5.41290781
]
] | [
55,
75,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-9632 | R-3 | Cs-F-Re | 0.000235 | 0 | null | 0.012857 | 3,654.793228 | 25.233149 |
[
[
-2.326118457693501,
-2.6749383928082024,
-2.057910660423916
],
[
0,
0,
0
],
[
-1.1514334283623064,
-1.3241000148131494,
-4.662815405663612
],
[
-0.649314572410091,
-4.906046139093793,
-0.5744468327104395
],
[
0.11616504791611641,
-4.025776770... | [
[
0.7499481895804622,
-5.349876785616405,
0.6634771195760841
],
[
-5.402185104967464,
0,
0.6634771195760841
],
[
0,
0,
-5.44277556
]
] | [
55,
75,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002389374> | R-3m | Cs-F-Re | 0 | null | null | 0.012715 | 3,654.793228 | 29.433071 |
[
[
-3.533545104503859,
-2.4036963271760845,
-5.836666529674828
],
[
0,
0,
0
],
[
-5.44925318427185,
-1.819714410500605,
-8.465904187867112
],
[
-3.69401328806115,
-4.399998480648387,
-8.46590418786711
],
[
-0.5988883336962969,
-0.407394173703783... | [
[
-1.8984291338840238,
-4.807392654352169,
-2.662777454674829
],
[
-5.168661075123696,
0,
-2.662777454674829
],
[
0,
0,
-6.34777815
]
] | [
55,
75,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003770245> | R-3m | Cs-F-Re | 0.016085 | null | null | 0.012684 | 3,654.793228 | 24.565498 |
[
[
0,
0,
0
],
[
1.2606319627809535,
1.3513061486165117,
4.787121720317702
],
[
2.6785502391293976,
-1.3513061486165119,
2.1735315663238746
],
[
1.0530881714038092,
-0.9824247524199918,
3.998995205
],
[
2.8860940305065417,
0.9824247524199917,
... | [
[
0.2731704837048865,
-3.929699009679967,
1.0373371233584234
],
[
3.9391822019103504,
0,
-1.0373371233584234
],
[
-0.2731704837048865,
3.929699009679967,
6.960653286641577
]
] | [
55,
33,
33,
77,
77
] | [
1,
1,
1
] | mp-1206348 | I4/mmm | As-Cs-Ir | 0 | 0 | null | null | 7,337.05365 | 57.851013 |
[
[
-1.2593355289949845e-16,
2.056650995,
3.4916835298501625
],
[
2.056650995,
0,
8.512512440149838
],
[
-1.2593355289949845e-16,
2.056650995,
10.615858247733112
],
[
2.056650995,
0,
1.3883377222668891
],
[
0,
0,
0
],
[
2.056650995,
... | [
[
4.11330199,
0,
2.518671057989969e-16
],
[
-2.518671057989969e-16,
4.11330199,
2.518671057989969e-16
],
[
0,
0,
12.00419597
]
] | [
55,
55,
33,
33,
77,
77
] | [
1,
1,
1
] | alex<agm002368793> | P4/nmm | As-Cs-Ir | 0.010879 | null | null | 0.001179 | 7,114.950961 | 55.815693 |
[
[
3.8449760700000004,
-4.0630887864521,
2.3458254045994695
],
[
3.8449760699999995,
4.063088786452099,
2.345825404599471
],
[
3.84497607,
-6.469666333753817e-16,
3.1515203808010606
],
[
1.9224880349999998,
-1.8064002137761526,
1.0429256496878605
],
[
... | [
[
3.84497607,
0,
2.3543688184618346e-16
],
[
-4.159136578597281e-16,
6.792385496770226,
3.921585595000001
],
[
4.159136578597281e-16,
-6.792385496770226,
3.9215855949999985
]
] | [
68,
68,
68,
48,
48,
48,
79,
79,
79
] | [
1,
1,
1
] | mp-1206166 | P-62m | Au-Cd-Er | 0.00252 | 0 | null | null | 1,807.674495 | 67.26606 |
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