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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28,
28,
15,
15,
15,
15
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1,
1
] | alex<agm002233967> | I4/mmm | Eu-Ni-P | 0.007622 | null | null | 0.057349 | 3,252.503113 | 92.574257 |
[
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... | [
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34
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1,
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] | mp-1207192 | P6_3/mmc | H-Nd-Se | 0.013928 | 1.6838 | null | null | 2,675.487675 | 43.449852 |
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] | [
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34
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] | alex<agm002154166> | P-6m2 | H-Nd-Se | 0 | null | null | 0.00003 | 2,675.487675 | 40.467628 |
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34,
34,
34
] | [
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1,
1
] | alex<agm003652493> | I4/mmm | H-Nd-Se | 0.090071 | null | null | -0.000001 | 2,734.532568 | 57.33551 |
[
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[
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51
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1,
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] | mp-1207658 | Im-3 | Fe-Sb-Yb | 0 | 0 | null | 0.005261 | 3,131.541716 | 79.674873 |
[
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[
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65,
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31,
6
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1,
1
] | mp-1206878 | Pm-3m | C-Ga-Tb | 0 | 0 | null | 0.000002 | 2,894.282159 | 54.185566 |
[
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[
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65,
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65,
31,
31,
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6
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1,
1
] | alex<agm003736150> | Cmc2_1 | C-Ga-Tb | 0.090431 | null | null | 0.000373 | 2,939.852525 | 79.691177 |
[
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65,
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65,
31,
31,
31,
31,
31,
31,
6,
6
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1,
1
] | alex<agm003580290> | P2_1/c | C-Ga-Tb | 0.086397 | null | null | 0.000015 | 2,859.748889 | 62.09811 |
[
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[
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[
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31,
31,
6
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1,
1
] | alex<agm001083863> | I4/mmm | C-Ga-Tb | 0.066333 | null | null | -0.000108 | 2,847.746965 | 68.60173 |
[
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[
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8,
8,
8,
8
] | [
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1,
1
] | mp-1216776 | Cm | N-O-V | 0.087798 | 0 | null | 0.004205 | 2,000.6914 | 39.055222 |
[
[
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[
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[
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1.2225... | [
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] | [
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49,
28,
28,
28,
28
] | [
1,
1,
1
] | mp-1207011 | F-43m | In-Ni-Sc | 0 | 0 | null | null | 1,987.334808 | 150.984268 |
[
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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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21,
21,
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49,
28,
28,
28,
28
] | [
1,
1,
1
] | mp-13416 | P4/mbm | In-Ni-Sc | 0.001881 | 0 | 101.058252 | -0.000014 | 2,515.608781 | 100.33329 |
[
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[
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0
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] | [
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52
] | [
1,
1,
1
] | mp-2159 | Fm-3m | Dy-Te | 0.019968 | 0 | null | -0 | 3,891.726991 | 64.436584 |
[
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... | [
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] | [
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21,
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28,
28
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1,
1
] | alex<agm002238498> | Immm | In-Ni-Sc | 0.044196 | null | null | -0.00001 | 2,515.608781 | 105.91877 |
[
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[
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[
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2.85743853779457... | [
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[
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] | [
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21,
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28,
28
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1,
1
] | alex<agm002184014> | Cmmm | In-Ni-Sc | 0 | null | null | 0.000059 | 2,515.608781 | 96.438576 |
[
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[
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[
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-1.3701437978... | [
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[
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28,
28,
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28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003538750> | R-3m | In-Ni-Sc | 0.054213 | null | null | -0.008195 | 1,946.326975 | 152.594269 |
[
[
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[
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[
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[
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1.7495156223890593... | [
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[
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[
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] | [
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21,
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49,
49,
28,
28
] | [
1,
1,
1
] | alex<agm002313788> | P-62m | In-Ni-Sc | 0.007178 | null | null | 0.000003 | 2,466.686704 | 83.318222 |
[
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[
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[
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[
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] | [
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21,
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49,
49,
49,
28,
28
] | [
1,
1,
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] | alex<agm002238632> | P2/m | In-Ni-Sc | 0 | null | null | 0.000001 | 2,448.600389 | 71.236038 |
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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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21,
49,
49,
28,
28
] | [
1,
1,
1
] | alex<agm002354576> | P6_3/mmc | In-Ni-Sc | 0.058061 | null | null | -0.000001 | 2,380.116729 | 96.186577 |
[
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[
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[
3.25159785... | [
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[
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[
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] | [
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49,
49,
28,
28,
28,
28
] | [
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1,
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] | alex<agm002184671> | Pnma | In-Ni-Sc | 0.029836 | null | null | -0.000064 | 2,380.116729 | 97.519615 |
[
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[
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[
3.0598008... | [
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[
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] | [
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21,
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49,
28,
28
] | [
1,
1,
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] | alex<agm002314614> | Cmcm | In-Ni-Sc | 0.050478 | null | null | 0.000067 | 2,380.116729 | 87.993141 |
[
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[
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] | [
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49,
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28,
28
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1,
1,
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] | alex<agm002184672> | Cmcm | In-Ni-Sc | 0.012486 | null | null | -0.000142 | 2,249.165136 | 82.385315 |
[
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[
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[
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[
0,
0,
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]
] | [
66,
66,
52,
52
] | [
1,
1,
1
] | alex<agm003293907> | P6_3/mmc | Dy-Te | 0.044348 | null | null | -0.000183 | 3,891.726991 | 42.400837 |
[
[
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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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21,
49,
49,
49,
49,
28,
28
] | [
1,
1,
1
] | alex<agm003633622> | I4/mmm | In-Ni-Sc | 0.018016 | null | null | 0.000053 | 2,249.165136 | 79.316826 |
[
[
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[
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[
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[
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[
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[
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1.25... | [
[
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[
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[
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0,
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] | [
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21,
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49,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm002314606> | P6_3/mmc | In-Ni-Sc | 0.048998 | null | null | -0 | 2,193.737343 | 112.205093 |
[
[
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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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28
] | [
1,
1,
1
] | alex<agm003177848> | Amm2 | In-Ni-Sc | 0.081997 | null | null | 0.000016 | 2,193.737343 | 116.443977 |
[
[
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[
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[
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[
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[
-2.2... | [
[
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[
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[
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] | [
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21,
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49,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm002238991> | Pmma | In-Ni-Sc | 0.023205 | null | null | 0.000185 | 2,193.737343 | 110.692062 |
[
[
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[
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[
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[
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[
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-1.375808937245... | [
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[
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] | [
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28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003538751> | R-3m | In-Ni-Sc | 0.055207 | null | null | 0.000128 | 1,811.00601 | 155.361374 |
[
[
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[
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[
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[
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[
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] | [
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28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm003586019> | R3m | In-Ni-Sc | 0.001035 | null | null | -0.000032 | 2,142.36798 | 148.802521 |
[
[
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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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21,
21,
21,
21,
21,
21,
49,
28,
28
] | [
1,
1,
1
] | alex<agm003535671> | C2/m | In-Ni-Sc | 0.090726 | null | null | 0.005462 | 3,419.991322 | 69.82972 |
[
[
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[
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[
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[
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[
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2.2... | [
[
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[
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4.58480886,
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[
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] | [
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49,
49,
49,
49,
49,
28
] | [
1,
1,
1
] | alex<agm002184673> | P4/mmm | In-Ni-Sc | 0.022998 | null | null | -0.000069 | 2,122.529531 | 58.662937 |
[
[
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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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21,
49,
28
] | [
1,
1,
1
] | alex<agm003192412> | P4/mmm | In-Ni-Sc | 0.007599 | null | null | 0.000137 | 2,741.89685 | 80.604919 |
[
[
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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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3.1971811,
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[
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] | [
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21,
21,
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21,
49,
28,
28,
28,
28
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1,
1,
1
] | alex<agm003644319> | P4/mmm | In-Ni-Sc | 0 | null | null | 0.000178 | 2,773.997949 | 94.709396 |
[
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[
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[
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[
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] | [
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[
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[
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0,
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] | [
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66,
52,
52
] | [
1,
1,
1
] | alex<agm002190369> | P6_3/mmc | Dy-Te | 0 | null | null | 0.000014 | 3,891.726991 | 53.863934 |
[
[
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[
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[
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[
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... | [
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[
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[
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0,
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] | [
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21,
21,
49,
49,
28,
28,
28,
28
] | [
1,
1,
1
] | alex<agm002314473> | P-3m1 | In-Ni-Sc | 0.070442 | null | null | -0.000014 | 2,366.745957 | 110.430038 |
[
[
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[
3... | [
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[
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[
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] | [
21,
21,
21,
21,
21,
21,
49,
49,
28
] | [
1,
1,
1
] | alex<agm003501424> | P-62m | In-Ni-Sc | 0.023894 | null | null | 0.00885 | 3,155.765239 | 65.840408 |
[
[
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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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60,
60,
22,
22,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1209870 | P6_3/mcm | Nd-Sb-Ti | 0.015377 | 0.2084 | null | -0.000001 | 3,201.744274 | 62.48951 |
[
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[
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[
2.14... | [
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[
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4.29744357,
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[
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] | [
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60,
22,
22,
51,
51
] | [
1,
1,
1
] | alex<agm001006953> | P4/nmm | Nd-Sb-Ti | 0.065497 | null | null | 0.002239 | 2,987.620313 | 77.529762 |
[
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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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60,
22,
22,
51,
51
] | [
1,
1,
1
] | alex<agm002245026> | I4/mmm | Nd-Sb-Ti | 0.091606 | null | null | 0.01323 | 2,987.620313 | 76.337593 |
[
[
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[
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[
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[
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[
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[
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3... | [
[
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[
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7.64443053,
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[
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] | [
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81,
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78,
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53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-1208181 | P4/mnc | I-Pt-Tl | 0 | 0.5825 | null | null | 5,923.408618 | 8.585618 |
[
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[
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[
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[
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78,
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53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003485306> | P4_2/mnm | I-Pt-Tl | 0.06117 | null | null | -0 | 5,923.408618 | 7.383141 |
[
[
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[
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-4.66783441106153... | [
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[
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] | [
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81,
78,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003440407> | I4/mmm | I-Pt-Tl | 0.013682 | null | null | 0.00001 | 6,179.944144 | 8.240571 |
[
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[
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[... | [
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[
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[
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] | [
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66,
66,
66,
66,
66,
66,
66,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002190370> | C2/m | Dy-Te | 0.077703 | null | null | 0.00106 | 3,607.467963 | 49.820679 |
[
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[
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... | [
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[
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1,
1
] | alex<agm001082656> | I4/mmm | I-Pt-Tl | 0.075629 | null | null | 0.000009 | 6,179.944144 | 12.792741 |
[
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[
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6... | [
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81,
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53,
53,
53,
53,
53,
53,
53
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1,
1,
1
] | alex<agm003514243> | C2/m | I-Pt-Tl | 0.07502 | null | null | 0.000006 | 5,747.302416 | 4.844161 |
[
[
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[
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[
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[
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] | [
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81,
81,
81,
78,
53,
53
] | [
1,
1,
1
] | alex<agm001080725> | I4/mmm | I-Pt-Tl | 0.048797 | null | null | -0.000006 | 6,559.808622 | 24.264647 |
[
[
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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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] | [
81,
81,
81,
78,
53
] | [
1,
1,
1
] | alex<agm002498155> | Pm-3m | I-Pt-Tl | 0 | null | null | -0.000005 | 6,811.698044 | 22.937565 |
[
[
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[
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[
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[
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4.36684484,
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81,
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78,
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53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003571375> | P2_1/c | I-Pt-Tl | 0.063917 | null | null | 0.0001 | 5,998.485766 | 8.796938 |
[
[
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[
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[
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[
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-1.2536767531045976... | [
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[
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] | [
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27,
27,
33,
33
] | [
1,
1,
1
] | mp-1207142 | I4/mmm | As-Co-Rb | 0 | 0 | null | -0.000026 | 4,050.142771 | 59.635021 |
[
[
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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,
27,
27,
33,
33,
33
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1,
1,
1
] | alex<agm002144107> | P4/mmm | As-Co-Rb | 0.054559 | null | null | 0.000751 | 3,751.784602 | 81.568596 |
[
[
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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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37,
27,
27,
33,
33
] | [
1,
1,
1
] | alex<agm002333035> | P4/nmm | As-Co-Rb | 0.019958 | null | null | 0.000274 | 4,430.062605 | 44.359882 |
[
[
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[
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[
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0
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] | [
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83,
46
] | [
1,
1,
1
] | mp-1206717 | F-43m | Bi-La-Pd | 0 | 0.1217 | null | -0.000001 | 5,581.81068 | 70.050568 |
[
[
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[
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[
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-2.52410809825... | [
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[
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0,
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[
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] | [
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66,
66,
66,
66,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003292881> | C2/m | Dy-Te | 0 | null | null | 0.000002 | 3,973.252646 | 49.557812 |
[
[
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[
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[
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[
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[
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[
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-1.378418482048... | [
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[
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[
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] | [
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57,
83,
83,
46,
46
] | [
1,
1,
1
] | alex<agm002179757> | P6_3/mmc | Bi-La-Pd | 0.08271 | null | null | -0.000001 | 5,581.81068 | 66.174965 |
[
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[
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[
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[
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[
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-5.... | [
[
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[
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[
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] | [
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57,
83,
83,
46,
46
] | [
1,
1,
1
] | alex<agm002179756> | P6_3mc | Bi-La-Pd | 0.052964 | null | null | -0.000002 | 5,581.81068 | 68.639908 |
[
[
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[
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[
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[
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-0.9619625203921871... | [
[
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[
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[
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] | [
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46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003302969> | R-3m | Bi-La-Pd | 0.068911 | null | null | -0.000401 | 7,041.393353 | 117.294266 |
[
[
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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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57,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003620591> | P6_3/mmc | Bi-La-Pd | 0.073586 | null | null | 0.000062 | 6,040.758128 | 85.08326 |
[
[
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[
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[
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[
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] | [
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[
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[
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0
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] | [
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83,
46,
46
] | [
1,
1,
1
] | alex<agm002179424> | Fm-3m | Bi-La-Pd | 0.095306 | null | null | -0 | 6,040.758128 | 71.258957 |
[
[
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[
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[
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[
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[
1.202835847499999... | [
[
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0,
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[
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[
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] | [
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57,
83,
83,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003399857> | P2_1/m | Bi-La-Pd | 0.064302 | null | null | 0.000246 | 6,029.692024 | 63.46912 |
[
[
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[
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[
2.40467528,
2.40... | [
[
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[
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4.80935056,
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[
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] | [
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57,
83,
83,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002307808> | P4/nmm | Bi-La-Pd | 0.070981 | null | null | 0.000262 | 6,029.692024 | 61.250042 |
[
[
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[
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[
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1.8124818051169576,
-2.21982779475394... | [
[
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[
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[
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0,
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] | [
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57,
83,
83,
83,
83,
83,
83,
83,
83,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003375011> | I-43d | Bi-La-Pd | 0.023546 | null | null | 0.000018 | 5,637.408035 | 51.704762 |
[
[
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[
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[
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... | [
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[
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[
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] | [
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66,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002190337> | Cmcm | Dy-Te | 0 | null | null | 0.000149 | 4,534.603373 | 16.848942 |
[
[
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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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57,
57,
57,
57,
57,
83,
83,
46
] | [
1,
1,
1
] | alex<agm002351162> | P-62m | Bi-La-Pd | 0.029264 | null | null | 0.004194 | 4,376.717433 | 37.800308 |
[
[
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[
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[
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[
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[
-1.0124... | [
[
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[
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[
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] | [
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83,
83,
83,
83,
83,
83,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003728111> | Pbcm | Bi-La-Pd | 0.024594 | null | null | 0.000115 | 5,782.192912 | 46.444725 |
[
[
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[
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[
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-3.5771962967254... | [
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[
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[
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0,
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] | [
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83,
83,
83,
83,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003594376> | I4/m | Bi-La-Pd | 0.070133 | null | null | 0.00001 | 6,320.265529 | 59.600357 |
[
[
0.5732291999343306,
0.6060521025852705,
2.4305338514807753
],
[
4.045749858944867,
-0.6060521025852703,
6.817189640228255
],
[
0.12846039662720501,
-2.305914094906729,
0.5446815041454846
],
[
2.3094895294395985,
0,
9.792404995854517
],
[
1.440606... | [
[
0.25692079325441003,
-4.611828189813458,
1.089363008290969
],
[
4.618979058879197,
0,
-1.089363008290969
],
[
-0.25692079325441003,
4.611828189813458,
9.247723491709031
]
] | [
57,
57,
83,
83,
83,
83,
46,
46
] | [
1,
1,
1
] | alex<agm003633645> | I4/mmm | Bi-La-Pd | 0.025672 | null | null | 0.000128 | 5,713.568829 | 55.712006 |
[
[
-1.4451714098098833e-16,
2.36014402,
2.3111520255631333
],
[
2.36014402,
0,
7.641358654436867
],
[
0,
0,
4.97625534
],
[
2.36014402,
2.36014402,
4.97625534
],
[
-1.4451714098098833e-16,
2.36014402,
8.358989612323821
],
[
2.3601440... | [
[
4.72028804,
0,
2.8903428196197665e-16
],
[
-2.8903428196197665e-16,
4.72028804,
2.8903428196197665e-16
],
[
0,
0,
9.95251068
]
] | [
57,
57,
83,
83,
83,
83,
46,
46
] | [
1,
1,
1
] | alex<agm002234541> | P4/nmm | Bi-La-Pd | 0.024028 | null | null | 0.000095 | 5,713.568829 | 52.655403 |
[
[
0,
0,
0
],
[
1.208872517880372,
-1.0512002119917823,
3.2441677899999997
],
[
3.037058483475995,
1.0512002119917834,
1.6620087799302399
],
[
1.382704578615075,
1.590100103069795,
3.7106689004290585
],
[
2.8632264227412922,
-1.590100103069795,
... | [
[
0.5895590701651215,
-4.204800847967133,
1.5821590100697602
],
[
4.245931001356367,
0,
-1.5821590100697602
],
[
-0.5895590701651215,
4.204800847967133,
4.90617656993024
]
] | [
56,
13,
13,
31,
31
] | [
1,
1,
1
] | mp-1207061 | I4/mmm | Al-Ba-Ga | 0 | 0 | null | 0.000004 | 1,919.242021 | 52.069653 |
[
[
0,
0,
0
],
[
2.906314558416876,
-1.6058460815942956,
1.172743279388187
],
[
1.3869512847232228,
1.6058460815942952,
3.636015183247686
],
[
1.2294868988574477,
-1.061894071583583,
3.2232083999999994
],
[
3.0637789442826513,
1.0618940715835827,... | [
[
0.6246817522896917,
-4.247576286334331,
1.637658337364127
],
[
4.293265843140099,
0,
-1.637658337364127
],
[
-0.6246817522896917,
4.247576286334331,
4.808758462635873
]
] | [
56,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm002907867> | I4/mmm | Al-Ba-Ga | 0.034821 | null | null | 0 | 1,919.242021 | 48.646477 |
[
[
-1.3999911032794037e-16,
2.28635898,
8.326444372519122
],
[
2.28635898,
0,
2.8050316674808804
],
[
2.28635898,
0,
6.9813695710419506
],
[
2.28635898,
2.28635898,
2.7999822065588074e-16
],
[
0,
0,
0
],
[
-1.3999911032794037e-16,
... | [
[
4.57271796,
0,
2.7999822065588074e-16
],
[
-2.7999822065588074e-16,
4.57271796,
2.7999822065588074e-16
],
[
0,
0,
11.13147604
]
] | [
56,
56,
13,
13,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002328103> | P4/nmm | Al-Ba-Ga | 0.015785 | null | null | 0.000105 | 1,919.242021 | 50.377754 |
[
[
4.923546776708536,
3.9471639521242916,
7.364547783881902
],
[
1.8121991901878947,
1.7377002953301837,
2.059008500394001
],
[
3.199861085704442,
1.504502335944199,
5.100663282665855
],
[
3.536689415254091,
4.164567404986649,
4.32103074152839
],
[
... | [
[
4.5535807108634785,
0,
1.9673051409891176
],
[
2.1817993893469567,
5.690914258402583,
1.203521378779629
],
[
0,
0,
6.25357661
]
] | [
56,
56,
13,
31,
31,
31
] | [
1,
1,
1
] | mp-1228405 | Cm | Al-Ba-Ga | 0.023513 | 0 | null | null | 2,067.536129 | 49.918278 |
[
[
-2.0712116625600383,
1.5519815945139808,
-4.47942205
],
[
-0.23542133813582744,
-4.67033202539867,
-6.720210379200415
],
[
2.071211662560037,
-1.5519815945139803,
-4.47942205
],
[
-4.416245921661362,
-1.537594352657253,
-6.720210379200415
],
[
1.... | [
[
-1.8165896952214795,
6.207926378055923,
-2.238633720799585
],
[
6.46825695501867,
0,
-2.238633720799585
],
[
-4.65166725979719,
-6.207926378055923,
-4.48157665840083
]
] | [
56,
56,
56,
56,
13,
13,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003421386> | Fmmm | Al-Ba-Ga | 0.018176 | null | null | 0.000307 | 2,067.536129 | 39.363976 |
[
[
1.860795526901992,
3.2229923943766634,
-3.7741436336387557
],
[
-1.0772360397241167,
6.445984788753325,
-3.5664829494686554
],
[
0.5386180203017168,
-0.9329137774483636,
-3.5664829503437208
],
[
-5.043768558808521,
-2.290078616928298,
-3.5664829509654927... | [
[
-3.7215910538039836,
-6.445984788753325,
-2.631562271166753
],
[
-3.721591051328928,
6.445984788753325,
-2.6315622694166234
],
[
7.4431821051329115,
0,
-2.6315622694166234
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm003289841> | I-43d | Dy-Te | 0.053568 | null | null | 0 | 3,767.157242 | 66.838745 |
[
[
-3.001612109999999,
1.7329815597113403,
-5.543629638156002
],
[
-3.0016121100000004,
-1.7329815597113414,
-12.915399138156001
],
[
-3.0016121100000004,
-1.7329815597113414,
-9.199909361844
],
[
0,
0,
-7.3717695
],
[
-3.001612109999999,
1.7329... | [
[
-3.001612110000001,
-5.198944679134022,
-7.351829325586866e-16
],
[
-3.001612109999999,
5.198944679134022,
3.675914662793433e-16
],
[
0,
0,
-14.743539
]
] | [
56,
56,
56,
56,
56,
56,
13,
13,
13,
13,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | mp-569218 | P6_3/mmc | Al-Ba-Ga | 0 | 0 | null | -0 | 2,045.392746 | 37.691578 |
[
[
2.199397404669452,
5.883937872256175,
6.6513493344408845
],
[
-2.2290583641106347e-8,
0.7507925277535934,
14.979332764440883
],
[
2.199397404669452,
5.883937872256175,
1.6766340955591168
],
[
-2.2290583641106347e-8,
0.7507925277535934,
10.004617525559116... | [
[
4.39879477,
0,
2.693484967593309e-16
],
[
-2.199397387621132,
6.634730400009769,
4.2800046211020605e-16
],
[
0,
0,
16.65596686
]
] | [
56,
56,
56,
56,
56,
56,
13,
13,
13,
13,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003331266> | Cmcm | Al-Ba-Ga | 0.051375 | null | null | 0.000031 | 2,045.392746 | 35.340534 |
[
[
-1.9808279368105888,
1.5453526278916274,
-3.293319571838517
],
[
5.872178403933733,
-1.5453526278916274,
-4.1771138846565234
],
[
-5.872178403933733,
1.5453526278916279,
-6.044919875343475
],
[
1.9808279368105897,
-1.5453526278916274,
-6.928714188161482
... | [
[
-4.818712927878427,
-8.346255616324184,
-3.407344588177377
],
[
-4.818712924673727,
8.346255616324184,
-3.4073445859113116
],
[
9.637425852552154,
0,
-3.4073445859113116
]
] | [
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
13,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003694310> | Im-3 | Al-Ba-Ga | 0.085647 | null | null | 0.004242 | 2,203.302604 | 16.169741 |
[
[
2.254343271938363,
3.4776643811958365,
7.569182173745625
],
[
2.2543432946768935,
2.16836570214866,
2.8521299805637574
],
[
2.254343294953247,
0.31375903385175885,
5.901874372543206
],
[
-2.338615415438965e-10,
1.5694441138677349,
5.559841272706055
]
] | [
[
4.50868659,
0,
2.7607743004010476e-16
],
[
-2.2543432955609624,
3.7646165967089122,
-1.0384814325282723
],
[
0,
0,
9.58399627
]
] | [
56,
56,
13,
31
] | [
1,
1,
1
] | alex<agm003625674> | R3m | Al-Ba-Ga | 0 | null | null | 0 | 2,130.446338 | 25.937609 |
[
[
2.287751705,
0,
8.275091246810872
],
[
-1.4008439013860747e-16,
2.287751705,
2.789049923189129
],
[
2.287751705,
2.287751705,
2.8016878027721494e-16
],
[
-1.4008439013860747e-16,
2.287751705,
9.623580585146005
],
[
2.287751705,
0,
4.10736... | [
[
4.57550341,
0,
2.8016878027721494e-16
],
[
-2.8016878027721494e-16,
4.57550341,
2.8016878027721494e-16
],
[
0,
0,
11.06414117
]
] | [
56,
56,
13,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003510924> | P-4m2 | Al-Ba-Ga | 0.010815 | null | null | 0.000105 | 2,008.368482 | 46.050034 |
[
[
2.2287874681740107,
1.2730627100517347,
5.9778958563669535
],
[
0,
0,
0
],
[
2.4029729876515438e-8,
4.80095579409347,
1.2468628364706784
],
[
2.2287875130966737,
2.2292368896209345,
2.0515193715133995
],
[
-2.0892933386173424e-8,
3.8447816145... | [
[
4.45757498,
0,
2.7294774656081636e-16
],
[
-2.22878748779626,
6.074018504145204,
-2.36079565716237
],
[
0,
0,
9.58555435
]
] | [
56,
56,
56,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003339577> | C2/m | Al-Ba-Ga | 0.033076 | null | null | 0.000121 | 2,056.041892 | 39.676472 |
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