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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[
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[
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28,
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15
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1,
1,
1
] | alex<agm002233333> | I4_1md | Ni-P-Yb | 0 | null | null | 0.000001 | 2,978.336336 | 86.585976 |
[
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[
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70,
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28,
28,
28,
28,
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15
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1,
1,
1
] | alex<agm002305625> | P2_13 | Ni-P-Yb | 0.045577 | null | null | -0 | 2,978.336336 | 74.577766 |
[
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[
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[
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[
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] | [
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70,
28,
28,
15,
15
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1,
1,
1
] | alex<agm002233336> | P6_3/mmc | Ni-P-Yb | 0.010176 | null | null | 0.005407 | 2,978.336336 | 81.258163 |
[
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[
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28,
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15
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1,
1
] | alex<agm002306287> | I4/mmm | Ni-P-Yb | 0.062733 | null | null | -0.000056 | 3,244.745483 | 93.654602 |
[
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[
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15
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1,
1,
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] | alex<agm002232428> | P4/nmm | Ni-P-Yb | 0.045426 | null | null | 0 | 2,918.591118 | 120.64183 |
[
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24,
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28,
28,
28,
28,
28
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1,
1,
1
] | alex<agm003266985> | I4/mmm | Cr-Ni | 0.082607 | null | null | -0.000096 | 2,578.388534 | 215.207123 |
[
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[
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15
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] | alex<agm002349399> | R-3m | Ni-P-Yb | 0.088762 | null | null | -0.000042 | 2,708.366099 | 116.373878 |
[
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[
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9
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1,
1,
1
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[
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[
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[
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51,
9,
9,
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9,
9,
9
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1,
1,
1
] | alex<agm003764278> | R-3m | F-Sb-Tl | 0.023901 | null | null | -0 | 4,347.453956 | 20.325148 |
[
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[
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3.... | [
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[
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81,
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9,
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9,
9,
9,
9
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1,
1,
1
] | alex<agm003503679> | P-3m1 | F-Sb-Tl | 0.080642 | null | null | 0.005781 | 5,030.049529 | 16.206114 |
[
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[
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81,
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51,
9,
9,
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9,
9,
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1,
1,
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] | alex<agm003580945> | Fmmm | F-Sb-Tl | 0.088815 | null | null | -0 | 5,383.95837 | 21.785149 |
[
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81,
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51,
9,
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1,
1,
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[
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[
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17
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1,
1,
1
] | mp-1209307 | I4/mcm | Cl-Co-Rb | 0.002274 | 1.0873 | null | 0.010363 | 3,985.852962 | 9.524071 |
[
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[
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52
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1,
1
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[
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-0.... | [
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27,
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17,
17,
17
] | [
1,
1,
1
] | alex<agm003755252> | C2/c | Cl-Co-Rb | 0.094682 | null | null | -0.000021 | 3,090.86045 | 9.085711 |
[
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[
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7.13... | [
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37,
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17,
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17,
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17
] | [
1,
1,
1
] | alex<agm002143248> | Fm-3m | Cl-Co-Rb | 0 | null | null | 0.00388 | 3,397.774727 | 6.472222 |
[
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[
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[
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17,
17,
17,
17,
17,
17
] | [
1,
1,
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] | alex<agm003494844> | P4_2/mnm | Cl-Co-Rb | 0.092814 | null | null | 0.003348 | 3,397.774727 | 9.699866 |
[
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[
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... | [
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[
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17
] | [
1,
1,
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] | alex<agm003572723> | R-3 | Cl-Co-Rb | 0.026785 | null | null | 0.000018 | 3,818.95555 | 8.024308 |
[
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... | [
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17
] | [
1,
1,
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] | alex<agm004483726> | Fm-3m | Cl-Co-Rb | 0.026151 | null | null | 0.000003 | 3,818.95555 | 11.561122 |
[
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] | [
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] | [
1,
1,
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] | alex<agm003477001> | I4mm | Cl-Co-Rb | 0.019784 | null | null | 0.007848 | 3,563.031967 | 9.034735 |
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[
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[
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[
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17,
17,
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17
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1,
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] | alex<agm002142683> | P6_3/mmc | Cl-Co-Rb | 0.05914 | null | null | 0.023784 | 3,315.779802 | 18.529991 |
[
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[
3.2207552774999995,
3.290313653827538,
6.686243856201365
],
[
1.0735850924999997,
3.8338850261724624,
1.4839522237986356
],
[
3.2... | [
[
4.29434037,
0,
2.62952509428488e-16
],
[
-4.3623135549758993e-16,
7.12419868,
4.3623135549758993e-16
],
[
0,
0,
8.17019608
]
] | [
59,
59,
59,
59,
13,
13,
13,
13,
45,
45,
45,
45
] | [
1,
1,
1
] | mp-1209554 | Pnma | Al-Pr-Rh | 0 | 0 | null | null | 4,752.823108 | 96.506874 |
[
[
1.4166765699999997,
2.045161253620994,
4.6316969407410244
],
[
4.25002971,
3.743478446379006,
3.1415546592589765
],
[
4.25002971,
2.045161253620994,
7.0281804592589765
],
[
1.4166765699999997,
3.743478446379006,
0.7450711407410243
],
[
-3.6785835... | [
[
5.66670628,
0,
3.4698568537551025e-16
],
[
-3.5445195400111475e-16,
5.7886397,
3.5445195400111475e-16
],
[
0,
0,
7.7732516
]
] | [
59,
59,
59,
59,
13,
13,
13,
13,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002329509> | Pbcm | Al-Pr-Rh | 0.024801 | null | null | 0.000038 | 4,752.823108 | 106.159706 |
[
[
4.231859685,
3.9990559849755187,
3.211575044036092
],
[
1.4106198949999997,
2.186651584751261,
1.756063352444443
],
[
1.4106198949999997,
3.3111181466022437,
5.012786079991188
],
[
1.4106198949999995,
5.6093172763862205,
2.1510665627421126
],
[
4... | [
[
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0,
3.455022278450651e-16
],
[
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6.18570756972678,
-1.3674049735194653
],
[
0,
0,
6.33504337
]
] | [
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59,
13,
13,
13,
13,
13,
13,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003410135> | Cmcm | Al-Pr-Rh | 0.035088 | null | null | 0.000045 | 5,060.631819 | 102.41832 |
[
[
0,
0,
-4.31646376
],
[
0,
0,
0
],
[
-2.4589620400000003,
-1.4196823957210714,
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],
[
-2.45896204,
1.4196823957210714,
-2.15823188
]
] | [
[
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],
[
-2.4589620399999994,
4.259047187163214,
3.0113599915108457e-16
],
[
0,
0,
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]
] | [
56,
56,
52,
52
] | [
1,
1,
1
] | alex<agm002190360> | P6_3/mmc | Ba-Te | 0.073672 | null | null | -0 | 3,552.269493 | 23.956099 |
[
[
-1.3275364000931154e-16,
2.16803147,
7.64556703475873
],
[
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0,
2.4380497352412704
],
[
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2.16803147,
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],
[
0,
0,
5.041808385
],
[
2.16803147,
0,
8.872650123884943
],
[
2.16803147... | [
[
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0,
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],
[
-2.655072800186231e-16,
4.33606294,
2.655072800186231e-16
],
[
0,
0,
10.08361677
]
] | [
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59,
13,
13,
13,
13,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002328199> | P4/nmm | Al-Pr-Rh | 0.032679 | null | null | 0 | 5,334.071027 | 123.22348 |
[
[
-2.855441745,
1.6485900601310448,
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],
[
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-3.934826266643712
],
[
-2.855441745,
1.6485900601310448,
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],
[
-2.855441745,
-1.6485900601310446,
-0.48883033335628884
],
[
-4.3463625... | [
[
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],
[
-2.8554417449999994,
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3.4969075931659824e-16
],
[
0,
0,
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]
] | [
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59,
59,
59,
13,
13,
13,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002195992> | P6_3/mmc | Al-Pr-Rh | 0.021922 | null | null | 0.000946 | 3,817.797039 | 91.315842 |
[
[
3.9430968865715026,
3.457668047063889,
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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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3.68981433177874,
4.... | [
[
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0,
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],
[
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],
[
0,
0,
5.76304166
]
] | [
59,
59,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002197459> | Immm | Al-Pr-Rh | 0.001845 | null | null | 0 | 4,949.588361 | 100.861305 |
[
[
0,
0,
0
],
[
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],
[
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4.063313233521203
],
[
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1.6067380911373847,
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],
[
1.3824140920425463,
1.60673809113738... | [
[
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0,
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],
[
-2.8145797642128136,
4.586407955861529,
-1.7024354309421064
],
[
0,
0,
9.34873026
]
] | [
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59,
59,
13,
13,
13,
13,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002329146> | R-3m | Al-Pr-Rh | 0.052953 | null | null | 0.00033 | 3,848.521837 | 88.828461 |
[
[
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1.1520219269948633,
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],
[
0,
0,
0
],
[
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],
[
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0.25259984673220054
],
[
-8.667499813411537e-10,
2.95485678695112... | [
[
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0,
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],
[
-2.2852371165343124,
5.2306582249212115,
-1.076957011180786
],
[
0,
0,
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]
] | [
59,
59,
59,
13,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm003340277> | C2/m | Al-Pr-Rh | 0.061017 | null | null | -0.000002 | 4,161.603977 | 86.306793 |
[
[
1.4138014514938355e-10,
3.9868856443997984,
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],
[
0,
0,
0
],
[
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3.1465019411069486
],
[
1.1841131892954383e-10,
3.3391697503085176,
1.328352611870447
],
[
2.076874495067542,
1.9046704801... | [
[
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0,
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],
[
-2.0768744948140467,
5.243840230506992,
-0.7976296507121401
],
[
0,
0,
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]
] | [
59,
59,
59,
13,
13,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002248330> | C2/m | Al-Pr-Rh | 0.039759 | null | null | 0.000088 | 5,242.978876 | 111.843918 |
[
[
0,
0,
0
],
[
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],
[
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0,
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],
[
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2.174277115,
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],
[
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0,
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],
[
-1.331360754672046e-16,
... | [
[
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0,
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],
[
-2.662721509344092e-16,
4.34855423,
2.662721509344092e-16
],
[
0,
0,
7.06683067
]
] | [
59,
13,
13,
13,
13,
13,
45
] | [
1,
1,
1
] | alex<agm002249255> | P4/mmm | Al-Pr-Rh | 0.051053 | null | null | -0.00025 | 3,683.360538 | 86.277275 |
[
[
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],
[
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],
[
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],
[
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[
2.0810066849999997,
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],
[
2.081006685,
... | [
[
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0,
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],
[
-4.300187131006644e-16,
7.02273853,
4.300187131006644e-16
],
[
0,
0,
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]
] | [
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59,
13,
13,
13,
13,
13,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002196278> | Pmma | Al-Pr-Rh | 0.056868 | null | null | 0.000001 | 3,889.1982 | 93.23336 |
[
[
0,
0,
0
],
[
2.131414825,
0,
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],
[
-1.305115171545733e-16,
2.131414825,
5.625966852701511
],
[
2.131414825,
2.131414825,
1.2368909593128263
],
[
2.131414825,
2.131414825,
7.241681000687175
],
[
-1.305115171545733e... | [
[
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0,
2.610230343091466e-16
],
[
-2.610230343091466e-16,
4.26282965,
2.610230343091466e-16
],
[
0,
0,
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]
] | [
59,
13,
13,
13,
13,
13,
13,
45
] | [
1,
1,
1
] | alex<agm002249394> | P4/mmm | Al-Pr-Rh | 0.039339 | null | null | -0 | 3,504.90165 | 86.95507 |
[
[
-2.3654482371964662,
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],
[
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],
[
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],
[
-5.234467172746384,
-3.1825406497579443,
-8.5446610326986... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
56,
56,
52,
52
] | [
1,
1,
1
] | alex<agm002026742> | R3m | Ba-Te | 0.065356 | null | null | 0.00003 | 3,552.269493 | 22.565157 |
[
[
0,
0,
0
],
[
0.6762418694672349,
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],
[
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],
[
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2.7186982332491154,
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],
[
2.4854540065771396,
4.929237532433181,
... | [
[
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0,
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],
[
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5.831630303804639,
2.4326703207709452
],
[
0,
0,
6.4618116
]
] | [
59,
13,
13,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002249244> | Immm | Al-Pr-Rh | 0.085875 | null | null | 0.000061 | 4,605.66462 | 103.9758 |
[
[
1.3105680365382921,
2.4826902999793585,
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],
[
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],
[
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0,
0.6107629622804496
],
[
2.725594284458132,
4.375227151016046,
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],
[
2.7974815837523... | [
[
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0,
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],
[
1.5369589427342205,
5.097448664268709,
2.0991194455062474
],
[
0,
0,
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]
] | [
59,
59,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002251416> | C2/m | Al-Pr-Rh | 0.020266 | null | null | 0.000117 | 4,574.73285 | 94.201393 |
[
[
2.143105260914031,
4.661455891029478,
5.4278448825000005
],
[
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],
[
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],
[
2.1364569682021948,
1.7378550894071985,
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],
[
... | [
[
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0,
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],
[
-2.115501206887933,
5.294009865735391,
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],
[
0,
0,
7.23712651
]
] | [
59,
59,
13,
13,
13,
13,
45,
45
] | [
1,
1,
1
] | alex<agm002195414> | Cmcm | Al-Pr-Rh | 0.015064 | null | null | 0.000346 | 4,412.77937 | 89.013519 |
[
[
-1.8284397938124453,
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[
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[
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],
[
0.18712674585486805,
-1.4996466726626918,
-9.067346023591442... | [
[
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0,
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],
[
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],
[
-5.052823062630432,
0,
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]
] | [
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59,
59,
59,
59,
59,
59,
59,
13,
13,
45
] | [
1,
1,
1
] | alex<agm003533445> | C2/m | Al-Pr-Rh | 0.054314 | null | null | 0.000168 | 3,404.419767 | 59.739414 |
[
[
0,
5.135877054421112,
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],
[
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],
[
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],
[
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],
[
-2.574281329552216,
8.451462324033933,
8... | [
[
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],
[
2.4210756616810403,
6.847836072561484,
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],
[
-4.84215132336208,
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0
]
] | [
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55,
22,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-1206662 | Fm-3m | Cs-I-Ti | 0 | 0.8643 | null | 0.000001 | 4,954.216311 | 7.288569 |
[
[
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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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],
[
5.2251145575,
... | [
[
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0,
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[
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],
[
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]
] | [
55,
55,
22,
22,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-567698 | P6_3/mmc | Cs-I-Ti | 0.009512 | 0 | 10.190172 | null | 4,811.241854 | 8.288645 |
[
[
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[
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[
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[
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],
[
1.1519139761077102,
... | [
[
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[
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],
[
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0
]
] | [
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55,
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22,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm004477917> | Fm-3m | Cs-I-Ti | 0.065249 | null | null | 0.001873 | 5,069.273582 | 7.012556 |
[
[
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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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55,
55,
22,
22,
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53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003570773> | P2_1/c | Cs-I-Ti | 0.03177 | null | null | 0.001924 | 5,069.273582 | 7.455116 |
[
[
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[
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[
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[
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[
2.4523511299999994,
4.4728750... | [
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[
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[
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] | [
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3,
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3,
3,
20,
20,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | alex<agm003373213> | Pmmm | Ca-Li-Mg | 0.073824 | null | null | -0 | 1,382.30479 | 26.681875 |
[
[
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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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0,
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] | [
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56,
52,
52
] | [
1,
1,
1
] | alex<agm002026741> | P6_3/mmc | Ba-Te | 0.068744 | null | null | 0 | 3,552.269493 | 24.039623 |
[
[
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[
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[
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[
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-0.4645757109... | [
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[
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] | [
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22,
53,
53,
53,
53,
53,
53
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1,
1,
1
] | alex<agm003770021> | C2/m | Cs-I-Ti | 0.089808 | null | null | 0.000055 | 4,806.699371 | 5.545682 |
[
[
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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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20,
20,
32
] | [
1,
1,
1
] | mp-1206798 | Fm-3m | Ca-Ge-Li | 0.066015 | 0 | null | 0.000011 | 1,799.22122 | 29.454456 |
[
[
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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,
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20,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-13917 | Pnma | Ca-Ge-Li | 0 | 0 | null | 0.000007 | 1,899.652104 | 40.465687 |
[
[
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[
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[
3.2487725549... | [
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[
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[
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] | [
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20,
20,
20,
20,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003616964> | Pnma | Ca-Ge-Li | 0.053892 | null | null | 0.000068 | 1,899.652104 | 40.066589 |
[
[
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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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3,
20,
32
] | [
1,
1,
1
] | mp-865986 | Fm-3m | Ca-Ge-Li | 0.006868 | 0.1008 | 37.509531 | -0.000004 | 2,025.57188 | 35.212948 |
[
[
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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,
3,
3,
20,
20,
32,
32
] | [
1,
1,
1
] | alex<agm002218218> | Pmmn | Ca-Ge-Li | 0 | null | null | 0.000028 | 2,025.57188 | 32.024529 |
[
[
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[
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[
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[
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[
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1.2794... | [
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] | [
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20,
20,
20,
20,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002283511> | P4/mbm | Ca-Ge-Li | 0.089452 | null | null | 0.000099 | 1,830.724211 | 37.720013 |
[
[
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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,
20,
32,
32
] | [
1,
1,
1
] | alex<agm002929229> | I4/mmm | Ca-Ge-Li | 0.061005 | null | null | 0.000114 | 1,979.790203 | 39.011375 |
[
[
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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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20,
32
] | [
1,
1,
1
] | alex<agm001276680> | P-6m2 | Ca-Ge-Li | 0.064644 | null | null | 0.000018 | 1,899.440911 | 40.283428 |
[
[
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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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56,
52,
52,
52,
52
] | [
1,
1,
1
] | mp-2150 | I4/mcm | Ba-Te | 0.00104 | 0.3513 | null | -0.000005 | 3,990.380534 | 22.544746 |
[
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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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20,
20,
20,
32,
32,
32
] | [
1,
1,
1
] | alex<agm002157371> | P-62m | Ca-Ge-Li | 0.091752 | null | null | -0 | 1,899.440911 | 35.779224 |
[
[
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0,
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[
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[
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[
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[
4.8623368120... | [
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[
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] | [
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3,
3,
20,
20,
32,
32
] | [
1,
1,
1
] | alex<agm003309204> | C2/m | Ca-Ge-Li | 0.082364 | null | null | 0 | 1,964.283945 | 33.788593 |
[
[
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[
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[
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] | [
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3,
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20,
20,
32,
32,
32,
32
] | [
1,
1,
1
] | alex<agm003424791> | C2/m | Ca-Ge-Li | 0.052624 | null | null | 0.000185 | 2,054.532668 | 36.099312 |
[
[
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[
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] | [
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68,
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48,
48,
29,
29,
29,
29
] | [
1,
1,
1
] | mp-1206454 | P4/mbm | Cd-Cu-Er | 0 | 0 | null | 0.000793 | 2,393.25408 | 72.322624 |
[
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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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48,
29,
29
] | [
1,
1,
1
] | alex<agm003628159> | Fm-3m | Cd-Cu-Er | 0.067872 | null | null | 0 | 2,102.642823 | 82.984375 |
[
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[
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] | [
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68,
68,
68,
68,
68,
68,
68,
48,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003694115> | Im-3 | Cd-Cu-Er | 0.023896 | null | null | -0.000001 | 2,775.150742 | 61.245926 |
[
[
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[
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[
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] | [
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003301204> | R-3m | Cd-Cu-Er | 0.063058 | null | null | -0.000187 | 1,824.135323 | 103.252602 |
[
[
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[
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[
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] | [
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68,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm003599685> | C2/m | Cd-Cu-Er | 0.043013 | null | null | 0.000407 | 2,214.221365 | 63.594063 |
[
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[
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1.92614... | [
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[
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] | [
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68,
68,
48,
48,
48,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002209250> | P-62m | Cd-Cu-Er | 0.002351 | null | null | -0 | 2,214.221365 | 67.867012 |
[
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[
2.925483239... | [
[
3.90064432,
0,
2.388455790550152e-16
],
[
-4.500051539910881e-16,
7.34914188,
4.500051539910881e-16
],
[
0,
0,
8.70306486
]
] | [
68,
68,
68,
68,
48,
48,
48,
48,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002335383> | Pnma | Cd-Cu-Er | 0.029899 | null | null | 0 | 2,214.221365 | 65.781487 |
[
[
4.300101510204134e-16,
3.1147278254495374,
7.867405882322486e-16
],
[
7.630770584079604e-16,
9.344183476348615,
1.4528744030073426e-15
],
[
0,
0,
0
],
[
9.780821339181671e-16,
6.229455650899076,
1.9572669995859826e-15
]
] | [
[
1.4682967779505325,
4.152970433932719,
2.5431646200000007
],
[
1.4682967779505325,
4.152970433932719,
-2.5431646199999998
],
[
-2.9365935559010645,
4.152970433932719,
0
]
] | [
68,
68,
48,
29
] | [
1,
1,
1
] | alex<agm001089886> | Fm-3m | Cd-Cu-Er | 0.064572 | null | null | -0.000017 | 2,504.449973 | 53.094627 |
[
[
1.8525644956516825,
-1.271766797822646,
-4.204027675
],
[
0.8482252943577304,
1.2355976483512257,
-0.654959726523079
],
[
-1.852564495651682,
1.2717667978226452,
-4.204027675
],
[
-0.84822529435773,
-1.2355976483512259,
-7.753095623476921
],
[
1.... | [
[
-1.9590188916653914,
5.087067191290582,
-1.3482641946017675
],
[
5.451239090941338,
0,
-1.3482641946017675
],
[
-3.4922201992759465,
-5.087067191290582,
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]
] | [
68,
68,
68,
68,
48,
48,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003433500> | Fmmm | Cd-Cu-Er | 0.091818 | null | null | -0 | 2,304.22387 | 87.522354 |
[
[
-1.7249855193966608,
-3.628906363408631,
-5.873166912597923
],
[
2.2595420286085806,
-6.2757113199571855,
-1.5345917839159626
],
[
1.391123208288927,
-4.577807384474083,
-4.491351887482839
],
[
0.22881323059245454,
-1.4393195152832596,
-8.448742013319105... | [
[
4.990062801338563,
0,
-1.4656123695781227
],
[
0.5603707846808955,
-6.51795672178556,
1.9079297266015527
],
[
-4.990062801338563,
0,
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]
] | [
68,
68,
68,
68,
68,
68,
68,
68,
48,
48,
29
] | [
1,
1,
1
] | alex<agm003528164> | C2/m | Cd-Cu-Er | 0.069792 | null | null | -0.000027 | 2,788.673914 | 57.798985 |
[
[
-2.096951770853483e-16,
3.424582128191512,
5.966337921034551
],
[
-4.3511467926297e-17,
0.7105961973132396,
3.353709858829051
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[
1.8074146699999998,
2.3850690500607667,
1.0602808346199837
],
[
1.80741467,
1.7501092754439849,
8.25976694524362
],
[
... | [
[
3.61482934,
0,
2.2134445903474696e-16
],
[
-2.532066450116453e-16,
4.135178325504752,
-0.8761765401363988
],
[
0,
0,
10.19622432
]
] | [
68,
68,
48,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm003306808> | Cmmm | Cd-Cu-Er | 0.043567 | null | null | 0.000129 | 2,085.574637 | 61.690102 |
[
[
2.2136138846052544,
-2.3546814682416293,
-0.7835911480131067
],
[
-0.538822880860268,
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],
[
0.6189279551680845,
-4.662892026179517,
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]
] | [
[
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0,
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[
0.08010507430781674,
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0.19734803141896917
],
[
-4.3471226949026915,
0,
-4.472552322554818
]
] | [
56,
52,
52
] | [
1,
1,
1
] | alex<agm003196259> | Cmmm | Ba-Te | 0.067805 | null | null | -0.000008 | 3,990.380534 | 19.529108 |
[
[
1.81273828,
1.81273828,
1.6234615488596162
],
[
1.81273828,
1.81273828,
5.501399890401231
],
[
1.81273828,
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],
[
1.81273828,
1.81273828,
13.190789949598768
],
[
1.81273828,
1.81273828,
17.068728291140385
],
[
... | [
[
3.62547656,
0,
2.2199641322938786e-16
],
[
-2.2199641322938786e-16,
3.62547656,
2.2199641322938786e-16
],
[
0,
0,
18.69218984
]
] | [
68,
68,
68,
68,
68,
48,
48,
48,
48,
29
] | [
1,
1,
1
] | alex<agm003641001> | P4/mmm | Cd-Cu-Er | 0.022626 | null | null | 0.000427 | 2,424.903352 | 48.922798 |
[
[
0.001033548338166919,
0.6428556815266955,
2.0110787075
],
[
2.1001983002452733,
4.3890050379145835,
6.0332361225
],
[
2.079602120511973,
1.4265637618166702,
7.623118527658614
],
[
0.021629728071467083,
3.6052969576246086,
0.42119630234138533
],
[
... | [
[
4.13917625,
0,
2.5345144728346226e-16
],
[
-2.0379444014165604,
5.031860719441279,
3.324235988824562e-16
],
[
0,
0,
8.04431483
]
] | [
68,
68,
48,
48,
48,
48,
29,
29
] | [
1,
1,
1
] | alex<agm002208339> | Cmcm | Cd-Cu-Er | 0.02308 | null | null | 0.000067 | 1,988.667265 | 61.194904 |
[
[
-1.1882865877379383e-9,
4.888606889330176,
6.48588975
],
[
2.195449999821941,
0.7325361138941933,
2.16196325
],
[
-3.9779529147768467e-10,
1.6365283316727364,
4.751363930231
],
[
2.1954499990314496,
3.9846146715516326,
3.8964890697690002
],
[
2.1... | [
[
4.3909,
0,
2.6886508151880565e-16
],
[
-2.1954500013663463,
5.621143003224369,
3.695170023222553e-16
],
[
0,
0,
8.647853
]
] | [
38,
38,
81,
81,
81,
81,
78,
78
] | [
1,
1,
1
] | mp-1206544 | Cmcm | Pt-Sr-Tl | 0 | 0 | null | -0.000003 | 6,790.031709 | 53.213299 |
[
[
-4.777703758458032,
-3.102324363988993,
-7.393453853421132
],
[
-6.130478825130193,
-3.980726889659263,
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],
[
-1.2795196688345698,
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-3.189691242045967
],
[
-3.5629491933031443,
-2.313543210055929,
-4.05372802244879
... | [
[
-1.8219271936532333,
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],
[
-4.478333384637142,
0,
-1.9331516113653626
],
[
0,
0,
-6.15382284
]
] | [
38,
81,
81,
78
] | [
1,
1,
1
] | alex<agm003184228> | R3m | Pt-Sr-Tl | 0.090086 | null | null | 0.000037 | 6,790.031709 | 51.176895 |
[
[
1.9804607999999997,
2.6345723392805427,
1.2857872432655189
],
[
-2.4838585575678457e-16,
4.056448862312309,
5.148961288535218
],
[
1.9804608,
1.3929381057300319,
4.625909023766612
],
[
-4.023261082696133e-17,
0.6570483972190649,
2.6529251711262973
]
] | [
[
3.9609216,
0,
2.4253649795568065e-16
],
[
-2.6761617900532217e-16,
4.370503874123494,
-1.584881032077583
],
[
0,
0,
6.75333791
]
] | [
38,
81,
81,
78
] | [
1,
1,
1
] | alex<agm003184227> | Amm2 | Pt-Sr-Tl | 0.090596 | null | null | -0.000012 | 6,790.031709 | 42.398224 |
[
[
1.153716305,
1.416743765948654,
8.168538443680374
],
[
3.4611489150000003,
3.613785800854548,
2.2851003747517518
],
[
1.1537163049999999,
3.73666237124331,
4.983699121421998
],
[
3.461148915,
4.18048179807514,
9.280323688844357
],
[
3.46114891500... | [
[
4.61486522,
0,
2.825789960084723e-16
],
[
-3.0803109660008316e-16,
5.030529566803202,
-0.529429601567874
],
[
0,
0,
10.98306842
]
] | [
38,
38,
81,
81,
81,
81,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002358028> | P2_1/m | Pt-Sr-Tl | 0.095976 | null | null | 0.000054 | 7,298.334135 | 67.053596 |
[
[
3.894243871013746,
1.5030548005827495,
0.8854274001907456
],
[
0.8904616566256177,
3.58254614338524,
2.1100980987587934
],
[
-0.8904616545173508,
3.58254614338524,
6.3878211587587925
],
[
2.1133205598707767,
1.5030548005827495,
5.163150460190745
],
[... | [
[
6.00756443,
0,
3.678572274935497e-16
],
[
-3.003782213503606,
5.0856009439679895,
-1.2821975610504615
],
[
0,
0,
8.55544612
]
] | [
38,
38,
38,
38,
81,
81,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002189330> | C2/c | Pt-Sr-Tl | 0 | null | null | -0.000143 | 7,021.046159 | 56.515701 |
[
[
2.1002281999999997,
5.344780007757282,
6.600239637242718
],
[
2.1002281999999997,
6.6002396372427174,
2.618566422242718
],
[
2.1002282,
2.6185664222427176,
1.3631067927572826
],
[
2.1002282,
1.3631067927572822,
5.344780007757282
],
[
-2.438071679... | [
[
4.2004564,
0,
2.572037742609007e-16
],
[
-4.876143358000501e-16,
7.96334643,
4.876143358000501e-16
],
[
0,
0,
7.96334643
]
] | [
38,
38,
38,
38,
81,
81,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002243715> | P4/mbm | Pt-Sr-Tl | 0.047076 | null | null | 0 | 7,021.046159 | 53.386948 |
[
[
-2.129440557656672,
-2.355905629485597,
-5.241755357154972
],
[
-0.5391860117567652,
-0.051290374341419115,
-1.3272411645665994
],
[
0.6281010997051567,
-4.660520884629775,
-4.68821582830911
]
] | [
[
4.347796203261737,
0,
-1.7662734985657655
],
[
0.0889150879483923,
-4.711811258971194,
0.21887022712429025
],
[
-4.347796203261737,
0,
-4.468053721434234
]
] | [
56,
52,
52
] | [
1,
1,
1
] | alex<agm003272540> | C2/m | Ba-Te | 0.067826 | null | null | -0.000008 | 3,990.380534 | 18.149111 |
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