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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] | alex<agm005050223> | P2_1/m | O-P-Rb-Sr | 0 | null | null | 0 | 3,602.308457 | 37.225883 |
[
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1,
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] | alex<agm004571513> | C2/m | O-P-Rb-Sr | 0 | null | null | 0 | 3,967.361491 | 38.135178 |
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1,
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] | alex<agm004589501> | R-3m | O-P-Rb-Sr | 0.030459 | null | null | 0.000074 | 3,839.093649 | 45.678764 |
[
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30
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[
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1,
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] | mp-1206873 | Fm-3m | Cs-F-Na-Tb | 0 | 6.8618 | null | null | 4,041.210743 | 33.67841 |
[
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1.87177139... | [
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[
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[
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] | alex<agm004911367> | P2/m | Cs-F-Na-Tb | 0.087513 | null | null | 0.000039 | 3,231.801951 | 48.712036 |
[
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] | mp-1208760 | P2_1/c | Nb-O-Sc-Sr | 0 | 2.942 | null | -0.000008 | 3,895.382653 | 130.04567 |
[
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] | alex<agm002303789> | C2/m | Nb-O-Sc-Sr | 0.00233 | null | null | 0 | 3,895.382653 | 130.692749 |
[
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[
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] | [
1,
1,
1
] | alex<agm004673473> | P-3m1 | Nb-O-Sc-Sr | 0.026432 | null | null | 0.000858 | 4,231.387577 | 152.956253 |
[
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1,
1
] | mp-1209301 | C2/m | Cu-H-O-Rb-Se | 0.009099 | 0.4466 | null | null | 2,042.494464 | 28.784632 |
[
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46
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1,
1,
1
] | mp-1207674 | Pnma | P-Pd-Tm | 0 | 0 | null | 0.000009 | 5,004.512736 | 104.578423 |
[
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[
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15,
46
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1,
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[
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71,
30
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1,
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] | alex<agm002193667> | I4/mmm | Lu-Zn | 0.027834 | null | null | 0.004649 | 2,911.021734 | 69.925079 |
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[
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-1.20... | [
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69,
15,
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46,
46
] | [
1,
1,
1
] | alex<agm002178789> | P6_3/mmc | P-Pd-Tm | 0.059097 | null | null | -0.000527 | 5,004.512736 | 112.400032 |
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[
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69,
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15,
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46,
46,
46
] | [
1,
1,
1
] | alex<agm002233399> | P-62m | P-Pd-Tm | 0.015739 | null | null | 0.000003 | 5,004.512736 | 105.731003 |
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69,
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46
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] | alex<agm002233397> | I4_1md | P-Pd-Tm | 0.089319 | null | null | -0.000174 | 5,004.512736 | 100.495354 |
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20,
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1,
1,
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] | mp-1218893 | C2/m | Ca-Si-Sr | 0.018277 | 0 | null | -0.000227 | 1,640.276667 | 56.119083 |
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[
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1,
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] | mp-1218327 | I-4m2 | Ca-Si-Sr | 0.013234 | 0 | null | -0.000002 | 1,813.526912 | 57.188629 |
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[
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1.6360858879332014
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[
2.4953674999999995,
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3.0270528791396... | [
[
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0,
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[
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[
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0,
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] | [
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38,
38,
38,
38,
20,
20,
20,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1218334 | Pm | Ca-Si-Sr | 0.004132 | 0.3859 | null | 0.000009 | 2,396.079478 | 34.028915 |
[
[
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[
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[
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[
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[
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[
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] | [
71,
71,
71,
71,
30,
30
] | [
1,
1,
1
] | alex<agm002246643> | I4/mcm | Lu-Zn | 0.079252 | null | null | 0.010689 | 2,911.021734 | 68.549965 |
[
[
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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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20,
20,
20,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1218362 | Pmm2 | Ca-Si-Sr | 0.009965 | 0 | null | null | 1,735.040413 | 46.56683 |
[
[
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0,
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[
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[
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[
1.3... | [
[
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0,
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[
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] | [
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38,
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20,
14,
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14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1218331 | R32 | Ca-Si-Sr | 0.017014 | 0 | null | null | 2,034.374988 | 48.441929 |
[
[
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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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38,
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38,
38,
38,
38,
38,
20,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1218424 | I4/m | Ca-Si-Sr | 0.002649 | 0 | null | -0.000052 | 2,601.730295 | 38.583179 |
[
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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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] | [
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38,
20,
20,
14,
14
] | [
1,
1,
1
] | alex<agm002020730> | P4/nmm | Ca-Si-Sr | 0.066107 | null | null | 0.000041 | 2,253.528134 | 34.900024 |
[
[
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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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20,
14
] | [
1,
1,
1
] | alex<agm003158408> | F-43m | Ca-Si-Sr | 0.066928 | null | null | 0 | 2,253.528134 | 32.848812 |
[
[
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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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[
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] | [
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38,
20,
20,
14,
14
] | [
1,
1,
1
] | alex<agm002020731> | P4/nmm | Ca-Si-Sr | 0.049039 | null | null | 0 | 2,253.528134 | 33.960876 |
[
[
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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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[
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[
0,
0,
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] | [
38,
38,
20,
20,
14,
14
] | [
1,
1,
1
] | alex<agm002020723> | P4_2/mmc | Ca-Si-Sr | 0.079657 | null | null | 0.000046 | 2,253.528134 | 34.127026 |
[
[
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[
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[
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[
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... | [
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[
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[
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0,
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]
] | [
38,
20,
14,
14
] | [
1,
1,
1
] | alex<agm003191823> | Amm2 | Ca-Si-Sr | 0.012878 | null | null | -0 | 2,062.05505 | 43.954895 |
[
[
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[
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[
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[
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7.038493009382037... | [
[
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[
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[
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] | [
38,
38,
20,
20,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003629983> | Pmc2_1 | Ca-Si-Sr | 0.021843 | null | null | 0 | 2,062.05505 | 42.719822 |
[
[
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[
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[
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[
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[
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[
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] | [
71,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003283567> | I4/mmm | Lu-Zn | 0.041486 | null | null | 0.00002 | 2,380.895459 | 74.396286 |
[
[
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[
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[
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[
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[
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0,
... | [
[
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[
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[
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0,
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] | [
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38,
38,
38,
20,
20,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm003017289> | P4/mbm | Ca-Si-Sr | 0.0838 | null | null | 0.001841 | 2,364.76616 | 34.753319 |
[
[
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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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27,
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] | [
1,
1,
1
] | mp-1206497 | Fm-3m | Co-Cs-F | 0.000904 | 2.912 | null | null | 4,762.444078 | 21.157856 |
[
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[
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[
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... | [
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] | [
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9,
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] | [
1,
1,
1
] | alex<agm003581158> | C2/m | Co-Cs-F | 0 | null | null | 0 | 4,762.444078 | 17.167006 |
[
[
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[
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1.5573181819102828,... | [
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[
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] | [
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27,
9,
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9,
9,
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] | [
1,
1,
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] | alex<agm002269562> | Fmmm | Co-Cs-F | 0.047065 | null | null | -0 | 4,762.444078 | 19.295156 |
[
[
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[
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[
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[
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-3.288350460361... | [
[
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[
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0,
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[
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] | [
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27,
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9,
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9,
9,
9,
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] | [
1,
1,
1
] | mp-556943 | R-3m | Co-Cs-F | 0.00174 | 0 | null | null | 4,187.714513 | 32.688053 |
[
[
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[
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[
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0.554042807... | [
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[
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] | [
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55,
27,
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9,
9,
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] | [
1,
1,
1
] | alex<agm002269404> | I4/mmm | Co-Cs-F | 0.045269 | null | null | 0.021869 | 4,661.341856 | 45.408836 |
[
[
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[
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[
6.0547803082... | [
[
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[
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0,
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[
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] | [
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55,
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27,
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9,
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9,
9,
9,
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] | [
1,
1,
1
] | alex<agm002270534> | I4/mcm | Co-Cs-F | 0.069848 | null | null | 0.031903 | 3,997.064276 | 15.883273 |
[
[
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[
3.83... | [
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[
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] | [
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] | [
1,
1,
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] | alex<agm003756478> | C2/c | Co-Cs-F | 0.038744 | null | null | 0.019711 | 3,997.064276 | 31.527473 |
[
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[
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[
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[
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[
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] | [
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71,
30,
30,
30
] | [
1,
1,
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] | alex<agm002246269> | Immm | Lu-Zn | 0.083949 | null | null | 0.000001 | 2,668.858999 | 78.941406 |
[
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[
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-3.981908646... | [
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[
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] | [
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1,
1
] | alex<agm002269561> | R-3m | Co-Cs-F | 0 | null | null | 0.013778 | 3,686.824085 | 12.123371 |
[
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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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55,
27,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270655> | P4/mmm | Co-Cs-F | 0.01483 | null | null | -0.000009 | 4,518.250888 | 23.965063 |
[
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[
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[
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[
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[
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5.035781985,
5.13... | [
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[
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46,
46,
46,
16,
16,
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16,
16,
16,
16,
16
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1,
1,
1
] | mp-1207598 | Pm-3n | Pd-S-Y | 0 | 0 | null | null | 5,431.310236 | 64.474983 |
[
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[
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2.... | [
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[
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] | [
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33,
33,
45,
45
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1,
1,
1
] | mp-1206926 | I4/mmm | As-Rb-Rh | 0 | 0 | null | null | 6,253.752023 | 51.182343 |
[
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[
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... | [
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[
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4.08675379,
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[
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0,
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] | [
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33,
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45,
45
] | [
1,
1,
1
] | alex<agm002329870> | P4/nmm | As-Rb-Rh | 0 | null | null | 0.000003 | 6,212.566973 | 46.112911 |
[
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[
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-1.845634960238... | [
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] | [
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37,
26,
26,
17,
17,
17,
17,
17,
17
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1,
1,
1
] | mp-1206560 | P6_3/mmc | Cl-Fe-Rb | 0.00284 | 0.3602 | null | 0.029974 | 3,030.334095 | 14.638991 |
[
[
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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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26,
17,
17,
17
] | [
1,
1,
1
] | mp-1206518 | Pm-3m | Cl-Fe-Rb | 0.074645 | 0 | null | 0.032237 | 3,030.334095 | 33.573662 |
[
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[
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[
2... | [
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[
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002142732> | Pnma | Cl-Fe-Rb | 0.044396 | null | null | 0.030291 | 3,030.334095 | 13.653335 |
[
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[
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[
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[
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[
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26,
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002142729> | P6_3/mmc | Cl-Fe-Rb | 0.026767 | null | null | 0.031531 | 3,030.334095 | 21.150331 |
[
[
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[
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] | [
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37,
26,
26,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003712671> | C2/m | Cl-Fe-Rb | 0 | null | null | 0.025804 | 3,030.334095 | 4.42784 |
[
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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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30,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm002193313> | P6/mmm | Lu-Zn | 0.033091 | null | null | -0.000004 | 2,318.237811 | 77.271614 |
[
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26,
26,
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17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1209380 | I4/mcm | Cl-Fe-Rb | 0.002294 | 0.1199 | null | 0.013513 | 3,845.657545 | 8.097729 |
[
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[
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... | [
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[
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] | [
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37,
37,
26,
26,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003448451> | P2_1/m | Cl-Fe-Rb | 0.000191 | null | null | 0.017001 | 3,571.73367 | 9.667847 |
[
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[
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[
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[
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[
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] | [
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17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003500545> | C2/c | Cl-Fe-Rb | 0.012538 | null | null | 0.028983 | 2,411.095751 | 2.895421 |
[
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[
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[
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-0.9285305093441912,... | [
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[
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] | [
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37,
26,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002332373> | P-3m1 | Cl-Fe-Rb | 0.056371 | null | null | 0.007581 | 3,237.492907 | 8.861516 |
[
[
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[
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[
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7.... | [
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] | [
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37,
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17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002143266> | Fm-3m | Cl-Fe-Rb | 0.02471 | null | null | 0.007804 | 3,237.492907 | 9.740733 |
[
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... | [
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] | [
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37,
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26,
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17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003318952> | C2/m | Cl-Fe-Rb | 0.014376 | null | null | 0.021365 | 2,928.119924 | 4.499894 |
[
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[
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[
1.00... | [
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] | [
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26,
26,
26,
26,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002191050> | Pnma | Fe-Ge-Ti | 0.065232 | null | null | -0 | 1,660.23748 | 166.952103 |
[
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[
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0.9788702... | [
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] | [
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20,
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12,
12
] | [
1,
1,
1
] | alex<agm002988328> | P4/mbm | Ca-Li-Mg | 0.0781 | null | null | 0.000014 | 1,611.340764 | 25.817324 |
[
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[
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] | [
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] | [
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79,
79
] | [
1,
1,
1
] | mp-1002136 | Cmcm | Au-La | 0 | 0 | 64.612892 | 0.000001 | 1,868.48994 | 53.516079 |
[
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[
0.4272126662... | [
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[
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] | [
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22,
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26,
32,
32
] | [
1,
1,
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] | alex<agm002358424> | I4/mmm | Fe-Ge-Ti | 0.085684 | null | null | 0.042958 | 1,660.23748 | 162.566376 |
[
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[
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2.39083421019342... | [
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[
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1,
1
] | alex<agm002191049> | P-62m | Fe-Ge-Ti | 0.070375 | null | null | 0.010749 | 1,660.23748 | 166.988754 |
[
[
-1.1698569524830261e-16,
1.91052139,
1.718188254351859
],
[
1.91052139,
0,
4.2779736256481415
],
[
0,
0,
0
],
[
1.9105213899999998,
1.91052139,
2.3397139049660523e-16
],
[
-1.1698569524830261e-16,
1.91052139,
4.484203938423534
],
[
... | [
[
3.82104278,
0,
2.3397139049660523e-16
],
[
-2.3397139049660523e-16,
3.82104278,
2.3397139049660523e-16
],
[
0,
0,
5.99616188
]
] | [
22,
22,
26,
26,
32,
32
] | [
1,
1,
1
] | alex<agm002244877> | P4/nmm | Fe-Ge-Ti | 0.094989 | null | null | -0.000084 | 1,660.23748 | 165.445663 |
[
[
0,
0,
0
],
[
-2.5125807949999994,
-3.907070168083247e-17,
-1.9997774307259994
],
[
-1.2562903975,
2.175958797530901,
-1.9997774307259992
],
[
-3.768871192499999,
2.175958797530901,
-1.9997774307259992
],
[
-2.5125807949999994,
-3.907070168083... | [
[
-2.5125807950000003,
-4.351917595061802,
-6.154048056391724e-16
],
[
-2.5125807949999994,
4.351917595061802,
3.077024028195862e-16
],
[
0,
0,
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]
] | [
22,
26,
26,
26,
26,
26,
26,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-22130 | P6/mmm | Fe-Ge-Ti | 0.014829 | 0 | null | 0.062243 | 1,677.845372 | 152.689713 |
[
[
0,
5.014004768211493,
6.713472971986433e-16
],
[
3.3306690738754696e-16,
7.521007152317241,
6.661338147750939e-16
],
[
-1.5139273334992952e-16,
2.507002384105747,
2.220446049250313e-16
],
[
0,
0,
0
]
] | [
[
1.1818122575013437,
3.342669845474329,
2.0469588750000005
],
[
1.1818122575013437,
3.342669845474329,
-2.0469588749999996
],
[
-2.363624515002687,
3.342669845474329,
0
]
] | [
22,
26,
26,
32
] | [
1,
1,
1
] | mp-866375 | Fm-3m | Fe-Ge-Ti | 0 | 0.1709 | 214.588129 | -0.000016 | 1,597.648548 | 216.261673 |
[
[
-3.473942226561697,
-2.4500960232092366,
-3.630610962367926
],
[
-2.1104674026472647,
-1.4884668348260333,
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],
[
0,
0,
-2.422399845
],
[
-0.7016566907148144,
-1.9692814290176353,
-3.621022930678576
],
[
-2.0905481238896666,
... | [
[
-1.4033133814296288,
-3.9385628580352705,
-2.397246171357152
],
[
-4.181096247779333,
0,
-2.397246171357152
],
[
0,
0,
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]
] | [
22,
22,
26,
26,
26,
32
] | [
1,
1,
1
] | alex<agm002383792> | R-3m | Fe-Ge-Ti | 0.067626 | null | null | 0.049501 | 1,565.124483 | 162.291367 |
[
[
-2.4146588200000005,
1.3941039197281042,
-3.4186858662997457
],
[
-2.4146588200000005,
-1.3941039197281047,
-4.448939803700254
],
[
-2.4146588200000005,
-1.3941039197281047,
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],
[
-2.4146588200000005,
1.3941039197281042,
-0.515126968700... | [
[
-2.4146588200000005,
-4.182311759184313,
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],
[
-2.4146588199999997,
4.182311759184313,
2.957104194945925e-16
],
[
0,
0,
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]
] | [
22,
22,
22,
22,
26,
26,
26,
26,
26,
26,
32,
32
] | [
1,
1,
1
] | alex<agm002322597> | P6_3/mmc | Fe-Ge-Ti | 0.036888 | null | null | 0.048644 | 1,565.124483 | 163.939835 |
[
[
-5.102082928363771,
-5.433183100729856,
-0.8605581881913255
],
[
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4.614684546998772
],
[
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1.0928376835631406
],
[
-7.903157405669467,
-6.624270581734584,
-0.5600518564757118... | [
[
-4.830992418379174,
0,
-1.652889540943731
],
[
-2.415496207069488,
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-0.8264447693050937
],
[
-4.830992418379174,
0,
6.233460669056269
]
] | [
22,
22,
22,
22,
22,
22,
22,
22,
24,
24,
83,
83,
83,
83
] | [
1,
1,
1
] | mp-1208257 | I4/mcm | Bi-Cr-Ti | 0 | 0 | null | null | 4,576.933239 | 96.498634 |
[
[
1.711322705,
6.593258371034751e-18,
4.821597211277335
],
[
3.0577900270406845e-16,
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2.883142954305589
],
[
-3.0577900270406845e-16,
4.993750082341517,
2.8831429543055913
],
[
1.7113227049999997,
2.3764552951315863,
1.3720471043613334
... | [
[
3.42264541,
0,
2.09576587298644e-16
],
[
-4.0119924919427407e-16,
6.552080966913964,
3.7828457100000015
],
[
4.0119924919427407e-16,
-6.552080966913964,
3.782845709999999
]
] | [
22,
22,
22,
22,
22,
22,
24,
83,
83
] | [
1,
1,
1
] | alex<agm002321881> | P-62m | Bi-Cr-Ti | 0.079756 | null | null | 0.000004 | 4,200.534406 | 96.869087 |
[
[
1.5092542499999997,
3.151843175056,
9.040820628125001
],
[
4.52776275,
3.118584824944,
4.049960371875001
],
[
1.50925425,
0.016629175056,
4.049960371875001
],
[
4.52776275,
6.253798824944,
9.040820628125001
],
[
-2.8796473423064776e-16,
4.702... | [
[
6.037017,
0,
3.696606772724078e-16
],
[
-3.83952978974197e-16,
6.270428,
3.83952978974197e-16
],
[
0,
0,
13.090781
]
] | [
62,
62,
62,
62,
23,
23,
23,
23,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1208885 | Pbcm | Sb-Sm-V | 0.006938 | 0 | null | 0.005234 | 3,320.385681 | 64.470238 |
[
[
3.6660561299999994,
5.1053985287682995,
1.4266203666798125
],
[
1.2220187099999997,
2.1131580137682993,
2.3982908733201884
],
[
1.22201871,
0.8790825012317007,
6.2232021133201885
],
[
3.6660561299999994,
3.8713230162317007,
5.251531606679812
],
[
... | [
[
4.88807484,
0,
2.9930826033993554e-16
],
[
-3.664437768973778e-16,
5.98448103,
3.664437768973778e-16
],
[
0,
0,
7.64982248
]
] | [
57,
57,
57,
57,
79,
79,
79,
79
] | [
1,
1,
1
] | mp-1025399 | Pnma | Au-La | 0.003953 | 0 | null | null | 1,868.48994 | 57.538555 |
[
[
1.4428867760831903,
-1.2114726719972913,
3.4685380650000006
],
[
2.034346782192199,
2.422945343994583,
4.890341617620043
],
[
0,
0,
0
],
[
3.477233558275389,
1.2114726719972917,
1.421803552620044
],
[
-0.024901618976220195,
2.3305972051535733... | [
[
0.8514267699741819,
-4.845890687989166,
2.0467345123799565
],
[
4.92012033435858,
0,
-2.0467345123799565
],
[
-0.8514267699741819,
4.845890687989166,
4.890341617620043
]
] | [
11,
83,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1210092 | I-4 | Bi-Mo-Na-O | 0 | 2.8545 | null | 0.000019 | 4,251.804972 | 49.881245 |
[
[
-3.6816265862046667,
-1.2491737210529887,
-1.3806707348752276
],
[
0,
0,
0
],
[
-2.358233440877348,
1.2491737210529883,
3.1463250049999996
],
[
-4.7164668817546955,
2.4983474421059775,
0
],
[
-2.5892814762735896,
3.0025052616738646,
3.454... | [
[
-2.646786290654638,
-4.996694884211955,
-2.7613414697504557
],
[
0,
0,
6.29265001
],
[
-3.3930737364273766,
4.996694884211955,
-1.7656542701247722
]
] | [
11,
83,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004879066> | I-4m2 | Bi-Mo-Na-O | 0.026525 | null | null | 0.000007 | 4,251.804972 | 49.388779 |
[
[
-1.668657320885623,
2.491278167430271,
2.9780350312430715
],
[
0.27715385506668766,
3.88619806829217,
0.448681608764509
],
[
1.9033471624227825,
1.3821527282271895,
3.5433250719835137
],
[
1.7318666572555113,
4.809040627455023,
3.035979135849566
],
[... | [
[
5.139078952806199,
0,
-2.698535363297015
],
[
-3.3168995259352774,
4.827547174374402,
-0.15260582268745934
],
[
0,
0,
5.95580221
]
] | [
11,
83,
83,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004951615> | P1 | Bi-Mo-Na-O | 0.04884 | null | null | 0.006772 | 4,859.856552 | 68.277824 |
[
[
1.589736810674025,
-1.1243386476125306,
2.7542399399999997
],
[
3.1801099919796756,
1.1243386476125308,
0.0011025200676351846
],
[
1.5903731813056503,
2.248677295225061,
2.7553424600676357
],
[
0,
0,
0
],
[
0.7869818554104693,
1.1127377214464... | [
[
1.5891004400424007,
-4.497354590450122,
2.7531374199323646
],
[
4.769846802653701,
0,
-2.7531374199323646
],
[
-1.5891004400424007,
4.497354590450122,
2.7553424600676357
]
] | [
38,
38,
22,
25,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1206645 | I4/m | Mn-O-Sr-Ti | 0 | 0.9884 | null | -0 | 2,002.970235 | 158.252411 |
[
[
-1.2041762155762055e-16,
1.966569,
1.9864435992095
],
[
-1.2041762155762055e-16,
1.966569,
5.793249900790499
],
[
1.951292,
0,
1.1948217510009185e-16
],
[
1.951292,
0,
3.88984675
],
[
1.951292,
0,
1.9736498932487498
],
[
1.951292,... | [
[
3.902584,
0,
2.389643502001837e-16
],
[
-2.408352431152411e-16,
3.933138,
2.408352431152411e-16
],
[
0,
0,
7.7796935
]
] | [
38,
38,
22,
25,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1218688 | P4/mmm | Mn-O-Sr-Ti | 0.018501 | 0 | null | -0 | 2,002.970235 | 162.259384 |
[
[
4.440892098500626e-16,
10.115006979718206,
6.661338147750939e-16
],
[
1.1102230246251565e-16,
3.371668993239402,
2.220446049250313e-16
],
[
0,
0,
0
],
[
5.749667422225714e-16,
6.743337986478803,
4.440892098500626e-16
],
[
0.7866357493813986,
... | [
[
1.5894200060240007,
4.495558657652536,
2.7529562050000003
],
[
1.5894200060240007,
4.495558657652536,
-2.7529562049999994
],
[
-3.178840012048001,
4.495558657652536,
0
]
] | [
38,
38,
22,
25,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1218686 | Fm-3m | Mn-O-Sr-Ti | 0.000026 | 0.9952 | null | 0 | 2,002.970235 | 161.702026 |
[
[
3.2011139151163515,
4.356003268834728e-34,
-1.1317646780824389
],
[
0,
0,
-3.395294035
],
[
-1.6005569580904033,
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],
[
-4.801670873206755,
-2.7722459712059053,
-3.3952940357526833
],
[
-1.600556958090403,
... | [
[
-3.2011139161808067,
-5.544491942411811,
-2.2635293576702447
],
[
-3.2011139140518963,
5.544491942411811,
-2.2635293561648777
],
[
6.402227830232703,
0,
-2.2635293561648777
]
] | [
38,
38,
38,
38,
22,
22,
22,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004703135> | Im-3m | Mn-O-Sr-Ti | 0.002928 | null | null | 0.012446 | 1,991.9877 | 166.315765 |
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