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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0,
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[
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[
0,
0,
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] | [
21,
21,
21,
29,
29
] | [
1,
1,
1
] | alex<agm003286691> | Immm | Cu-Sc | 0.092844 | null | null | -0 | 3,044.524415 | 74.056305 |
[
[
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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,
12,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205825 | Fm-3m | Ba-Mg-Mo-O | 0 | 2.2648 | null | 0 | 2,445.198916 | 117.313522 |
[
[
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[
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[
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[
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[
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[
-2.... | [
[
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[
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[
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0,
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] | [
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56,
56,
12,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004673948> | P-3m1 | Ba-Mg-Mo-O | 0.032068 | null | null | 0.009546 | 2,653.165805 | 122.571335 |
[
[
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[
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0
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[
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[
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[
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[
-4.3... | [
[
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[
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[
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0,
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] | [
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12,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004879694> | P-3m1 | Ba-Mg-Mo-O | 0.015665 | null | null | 0.000029 | 2,926.158114 | 44.212578 |
[
[
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[
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[
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[
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... | [
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0,
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[
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],
[
0,
0,
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] | [
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58,
14,
14,
44,
44,
44,
44,
6,
6
] | [
1,
1,
1
] | mp-1205654 | Cmcm | C-Ce-Ru-Si | 0 | 0 | null | 0.001434 | 5,454.579443 | 156.534775 |
[
[
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[
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[
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],
[
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],
... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
58,
58,
14,
14,
44,
44,
6
] | [
1,
1,
1
] | alex<agm002258900> | C2/m | C-Ce-Ru-Si | 0.031011 | null | null | 0.014109 | 4,628.096315 | 124.02771 |
[
[
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0,
0
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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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26,
26,
26,
26,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1190091 | Im-3 | Cu-Eu-Fe-O | 0.03279 | 0 | null | null | 1,538.01129 | 187.515411 |
[
[
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[
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[
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[
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],
[
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3.423318664468721,
... | [
[
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0,
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[
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[
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0,
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]
] | [
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59,
59,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003290841> | Cmmm | Pr-Tl | 0.036436 | null | null | 0.000169 | 5,505.109524 | 34.777966 |
[
[
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2.8426957573626805,
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[
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[
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],
[
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]
] | [
[
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0,
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[
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],
[
0,
0,
6.46413408
]
] | [
59,
59,
81,
81
] | [
1,
1,
1
] | alex<agm001417240> | Cmcm | Pr-Tl | 0.047518 | null | null | 0.001516 | 5,112.515011 | 41.653332 |
[
[
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1.87525188,
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[
0,
0,
0
]
] | [
[
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0,
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[
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3.75050376,
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],
[
0,
0,
4.32956075
]
] | [
59,
81
] | [
1,
1,
1
] | alex<agm002351253> | P4/mmm | Pr-Tl | 0 | null | null | -0.000003 | 5,112.515011 | 39.598766 |
[
[
0,
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0
],
[
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],
[
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],
[
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0,
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]
] | [
[
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[
-2.979182960200777e-16,
4.865375,
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],
[
0,
0,
4.865375
]
] | [
59,
81,
81,
81
] | [
1,
1,
1
] | mp-2026 | Pm-3m | Pr-Tl | 0 | 0 | null | 0.000044 | 5,864.655907 | 37.771042 |
[
[
0,
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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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0,
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[
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]
] | [
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81,
81,
81
] | [
1,
1,
1
] | alex<agm001280893> | I4/mmm | Pr-Tl | 0.091072 | null | null | 0.00003 | 5,864.655907 | 31.676037 |
[
[
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[
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[
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],
[
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5.273346893613687
... | [
[
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0,
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[
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[
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0,
7.459876093733465
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | mp-570469 | I4/mcm | Pr-Tl | 0 | 0 | null | null | 4,682.096386 | 35.296654 |
[
[
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0
],
[
0,
0,
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[
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[
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[
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],
[
-2.1307... | [
[
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0,
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[
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[
0,
0,
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]
] | [
59,
59,
59,
59,
59,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003290598> | Cmmm | Pr-Tl | 0.060225 | null | null | -0 | 4,682.096386 | 37.990631 |
[
[
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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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]
] | [
59,
59,
59,
81
] | [
1,
1,
1
] | alex<agm001280892> | I4/mmm | Pr-Tl | 0.024532 | null | null | 0.00376 | 4,208.110819 | 30.28339 |
[
[
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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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]
] | [
59,
59,
59,
81
] | [
1,
1,
1
] | alex<agm001282932> | Imm2 | Pr-Tl | 0.02691 | null | null | -0 | 4,208.110819 | 37.8242 |
[
[
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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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[
0.7760999042567694,
2.54210262,
2.45... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
59,
59,
59,
59,
59,
81
] | [
1,
1,
1
] | alex<agm001193764> | Cmmm | Pr-Tl | 0.031801 | null | null | -0 | 3,864.535971 | 29.880445 |
[
[
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],
[
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[
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[
-2.100706204693991,
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],
[
-4.1401114244551005,
-3.321360207180... | [
[
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0,
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],
[
-1.7264284315657792,
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],
[
-3.452856866846967,
0,
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]
] | [
21,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm002184335> | I4/m | Cu-Sc | 0.007557 | null | null | 0.000036 | 1,950.851694 | 116.542915 |
[
[
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[
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0,
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[
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3.00326713,
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],
[
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0,
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],
[
1.7901164368570675,
3.003267... | [
[
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0,
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[
-3.6779414777389576e-16,
6.00653426,
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],
[
0,
0,
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]
] | [
59,
59,
59,
59,
59,
81
] | [
1,
1,
1
] | alex<agm003299034> | Cmmm | Pr-Tl | 0.085653 | null | null | 0.000001 | 3,864.535971 | 36.882351 |
[
[
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0,
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[
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0,
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[
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[
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],
[
-6.424928970891793,
-5.2... | [
[
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0,
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],
[
-2.4087978092587434,
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],
[
-4.817595618513207,
0,
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]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
81
] | [
1,
1,
1
] | alex<agm003300244> | I4/mmm | Pr-Tl | 0.051131 | null | null | 0 | 3,621.838389 | 39.004631 |
[
[
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],
[
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[
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[
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],
[
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0,
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],
[
0.746399143... | [
[
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0,
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],
[
-3.162503897164095e-16,
5.16476081,
3.162503897164095e-16
],
[
0,
0,
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]
] | [
59,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm001193763> | Cmmm | Pr-Tl | 0.083834 | null | null | 0.000014 | 6,087.997884 | 30.101944 |
[
[
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[
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[
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[
2.229458278526258,
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[
... | [
[
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0,
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],
[
1.7127283887053009,
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],
[
0,
0,
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]
] | [
59,
59,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002234866> | Imma | Pr-Tl | 0.09489 | null | null | 0.00072 | 5,628.418313 | 39.293289 |
[
[
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[
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[
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[
2.412760195,
0.8019515677710615,
2.517774568592208
],
... | [
[
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0,
2.954779049916894e-16
],
[
-2.8237863677043857e-16,
4.611593105327048,
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],
[
0,
0,
7.92768596
]
] | [
59,
59,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm002351309> | Cmmm | Pr-Tl | 0.023412 | null | null | 0 | 5,628.418313 | 34.938965 |
[
[
-2.783294534814821,
-1.7880987005409283,
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[
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[
0,
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0
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[
-5.6073744091227296,
-3.602399519340089,
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],
[
-1.3499098235670808,
-0.8672355624... | [
[
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],
[
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0,
-2.01788896035251
],
[
0,
0,
-6.99319493
]
] | [
59,
59,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003287536> | R-3m | Pr-Tl | 0.098097 | null | null | 0.000001 | 5,429.375109 | 40.028435 |
[
[
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4.515057393653788,
3.438951892669497
],
[
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[
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1.9213221640029108,
5.432433878315705
],
[
1.9247182600908297,
2.8385131651637083,
0.09026979026765837
],
... | [
[
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0,
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[
-3.2589067761906834,
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-3.529221681709072
],
[
0,
0,
8.78355731
]
] | [
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59,
59,
59,
59,
59,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003290218> | R-3 | Pr-Tl | 0.002188 | null | null | -0 | 5,341.160328 | 38.14328 |
[
[
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-3.345085049341194,
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],
[
1.5499551866492347,
-5.5115688535506004,
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],
[
-0.9105646046582251,
-1.1786012451317873,
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],
[
2.1850261552149393,
-2.6897474971754316,
-2.1500713360584... | [
[
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0,
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],
[
0.6393905819910091,
-6.690170098682388,
2.103537748285642
],
[
-5.196966718797188,
0,
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]
] | [
59,
59,
59,
59,
59,
59,
59,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003291244> | C2/m | Pr-Tl | 0.02184 | null | null | -0.000003 | 4,403.348023 | 35.779079 |
[
[
0,
0,
0
],
[
3.38590624,
0,
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],
[
1.69295312,
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3.592897004099509
],
[
1.6929531200000003,
-3.1115400787311778,
7.9079206179502455
],
[
1.6929531199999999,
3.111540078731178,
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],
[
... | [
[
6.77181248,
0,
4.1465392390290503e-16
],
[
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8.40423018562124,
4.852184560000002
],
[
5.146106798059308e-16,
-8.40423018562124,
4.852184559999999
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003292629> | P6_3/mcm | Pr-Tl | 0.037475 | null | null | -0 | 5,291.36732 | 37.626392 |
[
[
-1.7506443460713899,
6.0292136562057586,
4.202349849302533
],
[
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2.0775190340535623,
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[
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],
[
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4.457384014233921,
1.0319128077498245
],
[... | [
[
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0,
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],
[
-3.01184476331765,
8.10673269025932,
-1.179096183502981
],
[
0,
0,
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]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003288576> | C2/c | Pr-Tl | 0.032934 | null | null | 0.000764 | 4,348.361076 | 44.718102 |
[
[
0,
0,
0
],
[
2.311850417927603,
-1.080892389044162,
1.2339099874387585
],
[
0.939765383890319,
1.0808923890441622,
2.5205912163675683
]
] | [
[
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-3.220047542417214,
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],
[
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0,
-1.2123171561936739
],
[
-0.4519946318319109,
3.220047542417214,
3.754501203806327
]
] | [
22,
79,
79
] | [
1,
1,
1
] | mp-1018123 | I4/mmm | Au-Ti | 0 | 0 | null | null | 1,065.007223 | 148.397659 |
[
[
3.3006835836420096,
0,
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[
0,
0,
0
],
[
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3.3735409241584633,
-1.0250757085917046
],
[
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6.397208688865405,
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],
[
3.851866287524872,
5.131757320283764,
0.7867699... | [
[
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0,
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],
[
-3.300683582292823,
7.451253466653816,
-3.5767891905667426
],
[
0,
0,
8.89995007
]
] | [
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59,
59,
59,
59,
59,
59,
59,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003289556> | R-3 | Pr-Tl | 0.038357 | null | null | 0.002181 | 4,871.536544 | 38.543823 |
[
[
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-0.5769627752220866,
4.038345667532163
],
[
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],
[
2.056012134712205,
-1.882927408113046,
4.1918483420099646e-17
]
] | [
[
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],
[
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0,
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],
[
-0.3315983706273004,
3.765854816226092,
5.822448441041182
]
] | [
59,
59,
81
] | [
1,
1,
1
] | alex<agm002234830> | I4/mmm | Pr-Tl | 0.071689 | null | null | 0.000285 | 4,529.257962 | 40.726414 |
[
[
-0.4633451616252574,
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],
[
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],
[
-1.5156532176221311,
-2.1309277612401822,
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]
] | [
[
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0,
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[
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4.261855522480364,
-1.7248193575543604
],
[
0.5463097087924431,
-4.261855522480364,
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]
] | [
59,
59,
81
] | [
1,
1,
1
] | alex<agm002234829> | Immm | Pr-Tl | 0.054391 | null | null | 0.003985 | 4,529.257962 | 38.160755 |
[
[
0,
0,
0
],
[
-2.014173513129619,
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[
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1.7443254300000002
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[
1.0070867565648105,
11.393885996962283,
1.7443254300000002
],
[
1.00708675656481,
2.848471499240571... | [
[
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5.696942998481141,
3.488650860000001
],
[
2.0141735131296197,
5.696942998481141,
-3.488650859999999
],
[
-4.0283470262592385,
5.696942998481141,
0
]
] | [
59,
81,
81,
81,
81,
81,
81,
81
] | [
1,
1,
1
] | alex<agm003299819> | Fm-3m | Pr-Tl | 0.033169 | null | null | -0.000001 | 6,195.158546 | 28.646931 |
[
[
2.45343734109097,
5.14044915103982,
11.808224336074495
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[
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[
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[
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],
[
2.6087171070994,
7.975838218278411,
9.9... | [
[
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0,
1.0401712673900123
],
[
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8.264199698736467,
3.8371433031503974
],
[
0,
0,
9.31864904
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
81,
81
] | [
1,
1,
1
] | alex<agm003286015> | P-1 | Pr-Tl | 0.05354 | null | null | 0 | 3,720.292555 | 42.641716 |
[
[
0,
0,
0
],
[
4.440892098500626e-16,
5.333743069752659,
1.129928538512459e-15
]
] | [
[
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3.555828713168439,
2.1774914900000004
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[
1.2571752979096193,
3.555828713168439,
-2.1774914899999995
],
[
-2.5143505958192383,
3.555828713168439,
0
]
] | [
68,
51
] | [
1,
1,
1
] | mp-2191 | Fm-3m | Er-Sb | 0 | 0 | null | -0.000001 | 3,226.386155 | 64.540222 |
[
[
1.062796695,
0.7964469952594473,
6.159269084098439
],
[
3.188390085,
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[
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[
3.188390085,
1.0967282690832556,
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],
[
1.062796695,... | [
[
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0,
2.6031011413522717e-16
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[
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4.397587075586369,
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],
[
0,
0,
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]
] | [
68,
68,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002380963> | P2_1/m | Er-Sb | 0.05516 | null | null | 0 | 3,277.847456 | 56.617157 |
[
[
-1.299450084040791e-16,
2.122163035,
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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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],
[
2.122163035,
2.1... | [
[
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0,
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],
[
-2.598900168081582e-16,
4.24432607,
2.598900168081582e-16
],
[
0,
0,
9.16035834
]
] | [
68,
68,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002183690> | P4/nmm | Er-Sb | 0.058106 | null | null | -0.000052 | 3,277.847456 | 53.801914 |
[
[
0,
0,
0
],
[
1.1735966573634373,
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[
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],
[
2.3471933147268746,
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1.669027783669483e-16
]
] | [
[
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],
[
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0,
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],
[
-0.8725118627680529,
3.720947430636164,
3.0863897858777047
]
] | [
22,
79,
79,
79
] | [
1,
1,
1
] | mp-1187512 | I4/mmm | Au-Ti | 0.05658 | 0 | null | 0.004074 | 1,044.961955 | 136.103928 |
[
[
0.01162784864510968,
-4.545064372752049,
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[
4.858991791506668,
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],
[
2.2998571137012247,
-2.521963855196537,
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],
[
-0.9475586916993262,
-1.4891737403998284,
-4.145325947380493
... | [
[
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0,
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],
[
0.3335263317874176,
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0.8470472788694858
],
[
-5.865959058793615,
0,
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]
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003288625> | C2/c | Er-Sb | 0.094122 | null | null | 0.002529 | 3,167.656034 | 56.072475 |
[
[
0.7066036836433702,
0.7542219895041568,
2.768877446237518
],
[
2.1472660899444276,
9.171178998249203e-35,
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],
[
3.587928496245485,
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5.097367868288485
],
[
0.1398396062481621,
-2.142707760183266,
0.5479715727369981
... | [
[
0.27967921249632427,
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],
[
4.294532179888855,
0,
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],
[
-0.27967921249632427,
4.2854155203665325,
7.866245314526004
]
] | [
68,
68,
68,
68,
51,
51
] | [
1,
1,
1
] | alex<agm002238244> | I4/mmm | Er-Sb | 0.044158 | null | null | 0.003135 | 3,180.056457 | 71.050636 |
[
[
-1.3630584775946306e-16,
2.226043425,
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],
[
2.226043425,
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],
[
2.226043425,
0,
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],
[
0,
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],
[
-1.3630584775946306e-16,
2.226043425,
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],
[
2.... | [
[
4.45208685,
0,
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],
[
-2.726116955189261e-16,
4.45208685,
2.726116955189261e-16
],
[
0,
0,
8.34621954
]
] | [
68,
68,
68,
68,
51,
51
] | [
1,
1,
1
] | alex<agm002354026> | P4/nmm | Er-Sb | 0.017171 | null | null | 0.000449 | 3,180.056457 | 66.752937 |
[
[
-6.557097689483005e-17,
1.0708553182923126,
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],
[
2.17673101,
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],
[
2.17673101,
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3.0940466300000002
],
[
-3.6752895379010615e-17,
0.6002203313575704,
3.09404663
]
] | [
[
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0,
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],
[
-2.748853790524869e-16,
4.48921892,
2.748853790524869e-16
],
[
0,
0,
6.18809326
]
] | [
68,
51,
51,
51
] | [
1,
1,
1
] | alex<agm001830119> | Pmm2 | Er-Sb | 0.03705 | null | null | 0 | 3,305.776478 | 45.993946 |
[
[
0,
0,
1.66561675
],
[
0,
0,
4.9968502500000005
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[
-1.9898652084626786e-16,
3.2496965,
3.3312335
],
[
3.2496965,
0,
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],
[
3.4401092167210003,
1.666840828173,
3.3312335000000006
],
[
3.0592837832789996,
4... | [
[
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0,
3.979730416925357e-16
],
[
-3.979730416925357e-16,
6.499393,
3.979730416925357e-16
],
[
0,
0,
6.662467
]
] | [
78,
78,
78,
78,
78,
78,
78,
78,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1205321 | P4_2/m | Pt-S | 0.042172 | 0.1882 | null | -0.000001 | 7,956.580923 | 88.46093 |
[
[
1.7670635,
0,
3.0612355
],
[
-1.0820143295825594e-16,
1.7670635,
1.0820143295825594e-16
],
[
0,
0,
4.59185325
],
[
0,
0,
1.53061775
]
] | [
[
3.534127,
0,
2.164028659165119e-16
],
[
-2.164028659165119e-16,
3.534127,
2.164028659165119e-16
],
[
0,
0,
6.122471
]
] | [
78,
78,
16,
16
] | [
1,
1,
1
] | mp-288 | P4_2/mmc | Pt-S | 0 | 0.3848 | 129.185123 | -0.000006 | 7,956.580923 | 89.846359 |
[
[
0,
0,
0
],
[
-1.7900369950000001,
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],
[
-1.7900369950000001,
1.0334783409226385,
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]
] | [
[
-1.7900369950000004,
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],
[
-1.7900369949999995,
3.1004350227679165,
2.1921630762820966e-16
],
[
0,
0,
-6.250867
]
] | [
78,
16,
16
] | [
1,
1,
1
] | mp-762 | P-3m1 | Pt-S | 0 | 1.5467 | 21.08424 | 0 | 7,096.045738 | 19.350689 |
[
[
5.468081869786217,
5.558738647101453,
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[
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[
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2.7793198221014537,
0.00007016089046237044... | [
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78,
78,
78,
16,
16,
16,
16,
16,
16,
16,
16
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1,
1,
1
] | alex<agm002181924> | Pbca | Pt-S | 0.042738 | null | null | 0 | 7,096.045738 | 13.905633 |
[
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0,
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] | [
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78,
16,
16,
16,
16
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1,
1,
1
] | alex<agm002181922> | P2_1/c | Pt-S | 0.042534 | null | null | 0.000017 | 7,096.045738 | 15.461383 |
[
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[
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22,
79,
79,
79,
79,
79,
79
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1,
1,
1
] | alex<agm002190884> | P6_3/mmc | Au-Ti | 0.096049 | null | null | 0.010998 | 1,044.961955 | 140.338303 |
[
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[
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[
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] | [
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16,
16
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1,
1
] | alex<agm002181923> | R-3m | Pt-S | 0.001872 | null | null | 0.000016 | 7,096.045738 | 20.170265 |
[
[
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6.1907812765049... | [
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16,
16,
16,
16,
16
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1,
1,
1
] | alex<agm002181925> | Fd-3m | Pt-S | 0.005475 | null | null | 0.000011 | 7,096.045738 | 19.596355 |
[
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] | [
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78,
78,
16,
16,
16,
16
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1,
1
] | alex<agm002182789> | R-3m | Pt-S | 0.097737 | null | null | 0 | 7,643.954411 | 55.754475 |
[
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[
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78,
16,
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16
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1,
1,
1
] | alex<agm002237660> | R-3 | Pt-S | 0.080547 | null | null | -0 | 6,631.621389 | 54.561943 |
[
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[
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16,
16,
16,
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16,
16,
16,
16
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1,
1,
1
] | alex<agm002311375> | P-1 | Pt-S | 0.014213 | null | null | 0.00021 | 6,631.621389 | 12.003213 |
[
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78,
16,
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16,
16
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1,
1,
1
] | alex<agm002182439> | R-3m | Pt-S | 0.069638 | null | null | 0.00012 | 7,497.946595 | 37.022671 |
[
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[
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26,
26,
5,
5,
5,
5,
5,
5
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1,
1,
1
] | alex<agm002200092> | Immm | B-Fe-Lu | 0.017605 | null | null | 0.000586 | 2,356.874799 | 245.448578 |
[
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71,
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26,
26,
26,
26,
5,
5,
5,
5
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1,
1,
1
] | alex<agm002254803> | Fmmm | B-Fe-Lu | 0 | null | null | 0.030431 | 2,323.306707 | 173.194153 |
[
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[
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[
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] | [
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79,
79,
79
] | [
1,
1,
1
] | alex<agm002322221> | Fm-3m | Au-Ti | 0.070661 | null | null | 0.000392 | 1,044.961955 | 142.244308 |
[
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[
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33,
33,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | mp-1205338 | C2/c | Al-As-Ca | 0 | 1.1101 | null | null | 3,024.076057 | 46.921787 |
[
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[
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[
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] | [
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13,
13,
33,
33
] | [
1,
1,
1
] | alex<agm002247991> | R-3m | Al-As-Ca | 0.029087 | null | null | 0 | 2,925.37463 | 54.235889 |
[
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[
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... | [
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[
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] | [
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20,
13,
13,
33,
33
] | [
1,
1,
1
] | alex<agm002115752> | Cmcm | Al-As-Ca | 0.07116 | null | null | -0 | 2,724.199442 | 51.914082 |
[
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[
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[
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] | [
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20,
20,
20,
13,
13,
13,
13,
33,
33,
33,
33
] | [
1,
1,
1
] | alex<agm002252226> | Pnma | Al-As-Ca | 0.071111 | null | null | 0.000052 | 2,724.199442 | 51.524902 |
[
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[
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[
2.3376745,
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2.86282... | [
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[
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] | [
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49,
49,
49,
49,
49,
45
] | [
1,
1,
1
] | mp-1206161 | P4/mmm | In-Rh-Tm | 0 | 0 | null | 0.00001 | 2,949.559546 | 55.905453 |
[
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[
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[
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[
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] | [
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69,
69,
49,
49,
49,
45,
45,
45
] | [
1,
1,
1
] | mp-21232 | P-62m | In-Rh-Tm | 0 | 0 | null | -0 | 4,077.446305 | 100.796486 |
[
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[
3.10605576000... | [
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[
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] | [
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69,
69,
69,
49,
49,
49,
49,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002235972> | Pnma | In-Rh-Tm | 0.00077 | null | null | -0.000121 | 4,077.446305 | 101.516411 |
[
[
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[
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[
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] | [
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49,
45,
45
] | [
1,
1,
1
] | mp-865211 | Fm-3m | In-Rh-Tm | 0.011714 | 0 | null | -0.000002 | 4,901.961589 | 128.389938 |
[
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[
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[
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[
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[
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] | [
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49,
45,
45
] | [
1,
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] | alex<agm001152423> | P4/mmm | In-Rh-Tm | 0.085272 | null | null | 0 | 4,901.961589 | 129.020905 |
[
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[
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] | [
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49,
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45
] | [
1,
1,
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] | alex<agm001220983> | P4/mmm | In-Rh-Tm | 0 | null | null | -0.000009 | 4,901.961589 | 134.047592 |
[
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2.9506895935496567
],
[
3.1381422674999997,
4.618372219426393,
-0.8576303767660565
],
[
1.0460474225,
1.3010096308537353,
7.293855135253901
],
[
1.04604... | [
[
4.18418969,
0,
2.5620772554419283e-16
],
[
-3.6245760179382485e-16,
5.9193818502801285,
-2.2672478015121555
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[
0,
0,
8.70347256
]
] | [
60,
60,
60,
60,
28,
28,
51,
51
] | [
1,
1,
1
] | alex<agm003629427> | P2_1/m | Nd-Ni-Sb | 0.067567 | null | null | 0.000002 | 2,977.635181 | 74.170418 |
[
[
0,
0,
0
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[
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-2.809887308684902,
1.102621942732796
],
[
-2.19083618497441,
-1.8578546573021768,
0.013830144466921048
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[
-4.421777818413215,
-3.7895763312161,
0.12092631311863941
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[
-4.797865509842113,
-0.8781656347709... | [
[
-3.68785733177327,
0,
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[
-1.8439286647087871,
-4.667741965987079,
-0.7929102437598511
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[
-3.68785733177327,
0,
3.4951828204797843
]
] | [
22,
79,
79,
79,
79
] | [
1,
1,
1
] | mp-12635 | I4/m | Au-Ti | 0 | 0 | 143.784321 | 0.000002 | 1,034.36527 | 138.650681 |
[
[
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[
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[
1.7688619449999996,
6.037673041828339,
4.915519856801911
],
[
1.768861945,
1.3627866304787442,
8.09239078575671
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[
-2.139044... | [
[
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0,
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[
-4.698388347818603e-16,
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[
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0,
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] | [
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69,
69,
69,
49,
49,
49,
49,
49,
45,
45
] | [
1,
1,
1
] | alex<agm002235239> | P2/m | In-Rh-Tm | 0.005849 | null | null | -0.000001 | 3,358.975749 | 60.490341 |
[
[
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[
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[
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[
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[
2.397845799947081,
-2.481172204507... | [
[
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0,
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[
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[
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0,
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] | [
69,
69,
69,
49,
49,
49,
45,
45
] | [
1,
1,
1
] | alex<agm003332093> | C2/m | In-Rh-Tm | 0.079787 | null | null | 0 | 3,695.585828 | 87.765167 |
[
[
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-6.307598222787302e-16,
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[
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[
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[
3.60237,
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1.7752416417528984
],
[
3.60... | [
[
3.60237,
0,
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],
[
-4.016818374422748e-16,
6.559962231101104,
3.7873959600000013
],
[
4.016818374422748e-16,
-6.559962231101104,
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]
] | [
69,
69,
69,
49,
49,
49,
45,
45
] | [
1,
1,
1
] | alex<agm002235236> | P-62m | In-Rh-Tm | 0 | null | null | 0 | 3,695.585828 | 77.990265 |
[
[
0,
0,
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[
0,
0,
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],
[
1.70989092,
1.70989092,
3.866005045
],
[
1.70989092,
1.70989092,
2.094012442069123e-16
]
] | [
[
3.41978184,
0,
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],
[
-2.094012442069123e-16,
3.41978184,
2.094012442069123e-16
],
[
0,
0,
7.73201009
]
] | [
69,
69,
49,
45
] | [
1,
1,
1
] | alex<agm001152422> | P4/mmm | In-Rh-Tm | 0 | null | null | -0.000267 | 3,780.242344 | 70.136009 |
[
[
1.86887921,
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],
[
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4.968337951379205,
1.2336219013792054
],
[
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6.235810198620794,
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],
[
1.8688792099999998,
2.501094148620795,
6.235810198620795
],
[
0,
... | [
[
3.73775842,
0,
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],
[
-4.573708056356746e-16,
7.4694321,
4.573708056356746e-16
],
[
0,
0,
7.4694321
]
] | [
69,
69,
69,
69,
49,
49,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002180455> | P4/mbm | In-Rh-Tm | 0.058718 | null | null | 0.000001 | 4,439.677382 | 104.875145 |
[
[
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],
[
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[
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0
],
[
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2.6115196009558153
],
[
-1.9276888915302253e-16,
3.148154868607597... | [
[
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0,
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],
[
-2.360670953074283e-16,
3.855268236879195,
-1.0438794740619206
],
[
0,
0,
7.64110126
]
] | [
69,
69,
49,
45,
45
] | [
1,
1,
1
] | alex<agm002309320> | Cmmm | In-Rh-Tm | 0.083519 | null | null | 0.000002 | 4,439.677382 | 114.143074 |
[
[
4.196042385498789,
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],
[
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],
[
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0,
0
],
[
2.3992692204681974,
1.2982068449263355,
5.493343439004488
],
[
3.0328618180046734,
3.458379363333936,
... | [
[
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0,
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],
[
1.395137557494445,
4.756586208260272,
2.303499143879232
],
[
0,
0,
5.46604331
]
] | [
69,
69,
49,
45,
45
] | [
1,
1,
1
] | alex<agm002309319> | Immm | In-Rh-Tm | 0.040552 | null | null | 0.000071 | 4,439.677382 | 107.885727 |
[
[
0,
0,
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],
[
0,
0,
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],
[
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2.32752373,
6.051950245
],
[
2.32752373,
0,
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],
[
2.32752373,
2.32752373,
3.754465803107356
],
[
2.32752373,
2.32752373,
8.349434... | [
[
4.65504746,
0,
2.850394485884008e-16
],
[
-2.850394485884008e-16,
4.65504746,
2.850394485884008e-16
],
[
0,
0,
12.10390049
]
] | [
69,
69,
49,
49,
49,
49,
49,
49,
49,
49,
45
] | [
1,
1,
1
] | alex<agm003534583> | P4/mmm | In-Rh-Tm | 0.005181 | null | null | 0.000188 | 2,727.635712 | 52.568779 |
[
[
2.197839385815275,
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],
[
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1.4012653863123938,
5.317901045727736
],
[
2.197839365,
0,
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],
[
2.1978393425849903,
1.2270879745629952,
2.839596695593112
],
[
2.0753299... | [
[
4.39567873,
0,
2.6915769433873014e-16
],
[
-2.1978393666617104,
4.670154053275579,
-1.7774809494131287
],
[
0,
0,
7.35404867
]
] | [
69,
69,
49,
49,
49,
45,
45
] | [
1,
1,
1
] | alex<agm002235922> | C2/m | In-Rh-Tm | 0.022734 | null | null | -0 | 3,808.873786 | 84.861496 |
[
[
-1.58223836078544,
-3.7404375589860286,
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],
[
2.560745264353722,
-5.85662390637874,
-0.8160128355293066
],
[
1.5869480083206469,
-4.779763464946271,
-3.9362993518956815
],
[
0.23939605502190062,
-1.4620965230803955,
-8.254188109504438
... | [
[
5.13106892810282,
0,
-1.6013339384354628
],
[
0.786017785723734,
-6.369115553701171,
2.518594866729465
],
[
-5.13106892810282,
0,
-7.419938271564536
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
49,
49,
45
] | [
1,
1,
1
] | alex<agm003533391> | C2/m | In-Rh-Tm | 0.081002 | null | null | -0.000031 | 3,249.427008 | 54.503342 |
[
[
0,
0,
0
],
[
0,
0,
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],
[
0,
0,
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],
[
0,
0,
9.609680272883868
],
[
0,
0,
12.776769359892773
],
[
1.64876002,
1.64876002,
1.687292831511798
],
[
1.64876002,
1.64876002,
4.854... | [
[
3.29752004,
0,
2.0191486810551262e-16
],
[
-2.0191486810551262e-16,
3.29752004,
2.0191486810551262e-16
],
[
0,
0,
16.0451418
]
] | [
69,
49,
49,
49,
49,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003649716> | P4/mmm | In-Rh-Tm | 0.032643 | null | null | -0.000001 | 4,864.177894 | 133.817688 |
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