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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5.4928... | [
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1.8473... | [
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[
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6.284752053423198,
1.4053522652036505
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[
1.6227610010775513,
6.284752053423197,
2.7999647459364462e-8
],
[
-0.8113804762903697,
6.2847520... | [
[
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[
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[
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] | [
65,
12,
47,
47,
47,
47
] | [
1,
1,
1
] | alex<agm001179359> | F-43m | Ag-Mg-Tb | 0.072573 | null | null | -0 | 1,803.932524 | 60.696598 |
[
[
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[
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[
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[
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1.1849339569582513,
-5.83945240769... | [
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[
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[
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] | [
65,
65,
65,
12,
12,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003328578> | Immm | Ag-Mg-Tb | 0.07876 | null | null | 0 | 2,303.155158 | 45.156166 |
[
[
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0
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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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1.84853271,
1.8591969612992... | [
[
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0,
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[
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[
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0,
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] | [
65,
65,
65,
12,
47,
47
] | [
1,
1,
1
] | alex<agm003437587> | P4/mmm | Ag-Mg-Tb | 0.01473 | null | null | 0.000548 | 2,500.203106 | 49.478416 |
[
[
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[
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[
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[
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[
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[
1.8752529749999998,
1.875252975,
5.601... | [
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[
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[
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0,
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] | [
65,
65,
65,
12,
12,
47
] | [
1,
1,
1
] | alex<agm003437586> | P4/mmm | Ag-Mg-Tb | 0.036413 | null | null | 0.000002 | 2,610.84112 | 47.945526 |
[
[
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[
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[
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[
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[
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1... | [
[
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0,
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[
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3.78879051,
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[
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0,
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] | [
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65,
65,
65,
65,
12,
12,
12,
12,
47
] | [
1,
1,
1
] | alex<agm003643744> | P4/mmm | Ag-Mg-Tb | 0.038776 | null | null | 0.000167 | 2,663.727701 | 47.485199 |
[
[
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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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0,
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] | [
65,
12,
12,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003435462> | P4/mmm | Ag-Mg-Tb | 0.057041 | null | null | 0.000046 | 1,826.29837 | 58.016552 |
[
[
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[
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[
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[
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[
2.19... | [
[
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[
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] | [
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65,
12,
12,
12,
12,
47,
47
] | [
1,
1,
1
] | alex<agm002285064> | Cmcm | Ag-Mg-Tb | 0.04259 | null | null | 0.000178 | 2,117.886958 | 47.675037 |
[
[
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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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65,
12,
12,
12,
12,
12,
12,
47,
47,
47,
47,
47,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003335146> | Cmce | Ag-Mg-Tb | 0.082117 | null | null | 0.000045 | 1,977.354004 | 56.173023 |
[
[
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[
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[
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[
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2.9134556928... | [
[
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[
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[
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0,
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] | [
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65,
65,
12,
12,
47,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003342878> | P-3m1 | Ag-Mg-Tb | 0.064433 | null | null | 0.00025 | 2,201.34106 | 49.748253 |
[
[
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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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] | [
3,
3,
3,
3,
12,
13
] | [
1,
1,
1
] | alex<agm003736564> | Immm | Al-Li-Mg | 0.031135 | null | null | -0.000156 | 1,970.167963 | 29.296602 |
[
[
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[
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[
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... | [
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[
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] | [
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65,
12,
47,
47,
47,
47,
47
] | [
1,
1,
1
] | alex<agm003479575> | I4/mmm | Ag-Mg-Tb | 0.092419 | null | null | -0.00015 | 1,988.172015 | 60.837849 |
[
[
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[
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[
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-0.9059559911796286,
-5.1779697844... | [
[
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[
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[
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0,
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] | [
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51,
51,
51,
51,
51,
51,
51,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | mp-1190030 | I-43d | Au-La-Sb | 0 | 0.5748 | null | 0 | 2,367.538953 | 53.020378 |
[
[
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[
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[
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2.374171645,
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... | [
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[
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[
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] | [
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57,
51,
79,
79,
79
] | [
1,
1,
1
] | mp-1223122 | Pmm2 | Au-La-Sb | 0.065369 | 0 | null | -0.000081 | 1,884.051412 | 72.326355 |
[
[
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[
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1.13905835689263
... | [
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[
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] | [
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57,
57,
57,
57,
57,
51,
51,
79
] | [
1,
1,
1
] | alex<agm002313434> | P-62m | Au-La-Sb | 0.070475 | null | null | -0.000005 | 2,832.656715 | 41.688782 |
[
[
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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,
51,
51,
51,
51,
79,
79
] | [
1,
1,
1
] | alex<agm002183701> | I4/mmm | Au-La-Sb | 0.037167 | null | null | -0 | 2,512.187652 | 57.034763 |
[
[
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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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51,
79
] | [
1,
1,
1
] | alex<agm003158935> | P3m1 | Au-La-Sb | 0.075287 | null | null | 0.000001 | 2,275.971604 | 55.901051 |
[
[
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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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0,
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]
] | [
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57,
51,
51,
79,
79
] | [
1,
1,
1
] | alex<agm002183787> | P6_3mc | Au-La-Sb | 0.093387 | null | null | -0.000086 | 2,275.971604 | 56.073338 |
[
[
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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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57,
51,
51,
79,
79
] | [
1,
1,
1
] | alex<agm002238278> | Cm | Au-La-Sb | 0.079281 | null | null | 0.000094 | 2,275.971604 | 58.894127 |
[
[
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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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51,
79,
79
] | [
1,
1,
1
] | alex<agm002183789> | Fm-3m | Au-La-Sb | 0.098259 | null | null | -0 | 1,892.035944 | 65.05011 |
[
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[
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[
1.4233480276149... | [
[
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0,
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[
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] | [
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69,
49,
49,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm003633616> | I4/mmm | Cu-In-Tm | 0.020777 | null | null | -0.000054 | 2,333.367728 | 43.120319 |
[
[
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... | [
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[
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] | [
3,
3,
3,
3,
3,
12,
12,
13
] | [
1,
1,
1
] | alex<agm003477012> | I4/mmm | Al-Li-Mg | 0.030803 | null | null | -0.000162 | 1,786.525136 | 29.190958 |
[
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[
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[
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57,
57,
57,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-1205490 | Immm | Ag-La-Sn | 0 | 0 | null | -0.000072 | 2,007.232169 | 51.029926 |
[
[
1.0410085112335611e-15,
3.3816874920195255,
2.3629330520025248e-15
],
[
5.760154068480384e-16,
10.145062476058577,
7.771561172376096e-16
],
[
0,
0,
0
],
[
9.299862087710455e-16,
6.763374984039051,
4.440892098500626e-16
]
] | [
[
1.5941427716404906,
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2.7611362750000006
],
[
1.5941427716404906,
4.5089166560260345,
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],
[
-3.1882855432809807,
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0
]
] | [
57,
57,
47,
50
] | [
1,
1,
1
] | mp-867801 | Fm-3m | Ag-La-Sn | 0.026816 | 0 | null | null | 2,383.40856 | 54.733902 |
[
[
-1.660464301791903e-16,
2.711743995,
1.660464301791903e-16
],
[
0,
0,
2.711743995
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[
2.03006567,
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2.7117439950000004
],
[
2.03006567,
0,
1.2430567124122134e-16
]
] | [
[
4.06013134,
0,
2.486113424824427e-16
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[
-3.320928603583806e-16,
5.42348799,
3.320928603583806e-16
],
[
0,
0,
5.42348799
]
] | [
57,
57,
47,
50
] | [
1,
1,
1
] | alex<agm001195940> | P4/mmm | Ag-La-Sn | 0.054787 | null | null | 0.00325 | 2,383.40856 | 54.725613 |
[
[
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[
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3.1997495924221333
],
[
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4.8140949740337335,
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],
[
1.18448603,
1.2954702564003746,
7.512926395493556
],
[
3.55345... | [
[
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0,
2.9011540505485113e-16
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[
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6.109565230434108,
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],
[
0,
0,
8.52924764
]
] | [
57,
57,
57,
57,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003629176> | P2_1/m | Ag-La-Sn | 0.042012 | null | null | 0.004464 | 2,383.40856 | 42.235229 |
[
[
2.220446049250313e-16,
6.2954019282721205,
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],
[
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2.220446049250313e-16
],
[
4.440892098500626e-16,
9.443102892408179,
4.772992279189486e-17
],
[
0,
0,
0
]
] | [
[
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[
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4.19693461884808,
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],
[
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4.19693461884808,
0
]
] | [
57,
47,
47,
50
] | [
1,
1,
1
] | mp-974463 | Fm-3m | Ag-La-Sn | 0.068644 | 0 | null | 0.000012 | 1,949.023497 | 56.06284 |
[
[
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[
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[
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[
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],
[
-2.4227... | [
[
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],
[
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2.967038352206823e-16
],
[
0,
0,
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]
] | [
57,
57,
47,
47,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002247461> | P6_3/mmc | Ag-La-Sn | 0.079264 | null | null | 0.000717 | 1,949.023497 | 57.084442 |
[
[
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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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57,
57,
57,
57,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003469835> | I4/mmm | Ag-La-Sn | 0.090757 | null | null | -0.001342 | 2,581.152268 | 46.686066 |
[
[
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[
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0,
1.4119666763372887e-16
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[
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2.385535365,
1.4607191245000316e-16
],
[
0,
0,
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]
] | [
[
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0,
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[
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4.77107073,
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],
[
0,
0,
4.77107073
]
] | [
57,
47,
50,
50
] | [
1,
1,
1
] | alex<agm001195913> | P4/mmm | Ag-La-Sn | 0.069848 | null | null | 0.000012 | 1,985.764161 | 55.062725 |
[
[
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[
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0
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[
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[
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1.2378322191487396
],
[
1.4293255298742327,
5.55484621... | [
[
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],
[
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],
[
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4.040126066727518,
0
]
] | [
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49,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-1025033 | F-43m | Co-In-Lu | 0.005945 | 0 | null | null | 2,680.237015 | 147.994858 |
[
[
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[
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0,
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[
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[
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[
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[
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... | [
[
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0,
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[
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4.61455038,
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],
[
0,
0,
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]
] | [
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57,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003631690> | P4/nmm | Ag-La-Sn | 0.066557 | null | null | -0 | 1,985.764161 | 53.331188 |
[
[
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0,
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[
0,
0,
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[
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[
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],
[
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-2.17... | [
[
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],
[
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],
[
0,
0,
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]
] | [
57,
57,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002133087> | P6_3mc | Ag-La-Sn | 0 | null | null | -0.000008 | 2,111.061315 | 57.704552 |
[
[
7.620110507555165e-16,
6.0745818976540615,
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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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4.049721265102708,
0
]
] | [
57,
47,
50
] | [
1,
1,
1
] | alex<agm001237084> | F-43m | Ag-La-Sn | 0.073283 | null | null | -0 | 2,111.061315 | 56.394382 |
[
[
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2.4222561099999997
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[
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1.2171899247873447e-16
],
[
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1.3984902171547156,
2.4222561100000006
]
] | [
[
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0,
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[
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],
[
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2.4222561099999993
]
] | [
57,
47,
50
] | [
1,
1,
1
] | alex<agm001263693> | P-6m2 | Ag-La-Sn | 0.058384 | null | null | 0.000001 | 2,111.061315 | 61.496117 |
[
[
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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1... | [
[
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[
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0,
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[
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]
] | [
57,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002247445> | I4/mmm | Ag-La-Sn | 0.013909 | null | null | -0.000061 | 1,879.043346 | 50.824356 |
[
[
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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,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003394254> | C2/m | Ag-La-Sn | 0.020711 | null | null | -0.00012 | 1,879.043346 | 49.549049 |
[
[
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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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5... | [
[
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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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47,
47,
47,
47,
47,
47,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003695729> | Immm | Ag-La-Sn | 0.033334 | null | null | -0.000001 | 1,652.667979 | 47.931328 |
[
[
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[
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[
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[
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],
[
-2.179013556485044e-8,
3.56182851367277... | [
[
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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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57,
57,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003338640> | C2/m | Ag-La-Sn | 0.021415 | null | null | 0 | 2,125.540607 | 51.627419 |
[
[
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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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71,
71,
71,
71,
71,
71,
71,
49,
49,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-1210681 | Immm | Co-In-Lu | 0 | 0 | null | null | 2,964.757741 | 73.178009 |
[
[
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[
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[
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[
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-4.669173762257055,
0.460795273125794... | [
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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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57,
47,
47,
47,
47,
47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003425644> | C2/m | Ag-La-Sn | 0.022359 | null | null | -0.000132 | 1,805.216623 | 50.66951 |
[
[
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[
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[
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0,
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[
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0,
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[
2.189524735,... | [
[
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[
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],
[
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0,
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]
] | [
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57,
47,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003412367> | Pmm2 | Ag-La-Sn | 0.098721 | null | null | -0.000244 | 2,132.674442 | 49.637859 |
[
[
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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,
57,
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47,
47,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003403087> | C2/m | Ag-La-Sn | 0.033673 | null | null | 0.005084 | 2,234.157142 | 46.777027 |
[
[
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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,
57,
57,
57,
57,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003714113> | C2/m | Ag-La-Sn | 0.079947 | null | null | 0.002703 | 2,538.140885 | 39.932407 |
[
[
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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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47,
47,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm003493630> | Immm | Ag-La-Sn | 0.06806 | null | null | 0.000045 | 2,633.498952 | 36.528931 |
[
[
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5.493076855008348,
1.4364252750083493
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[
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[
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[
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[
-4.3575532... | [
[
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[
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[
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0,
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] | [
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57,
57,
57,
47,
47,
47,
47,
50,
50
] | [
1,
1,
1
] | alex<agm002952524> | P4/mbm | Ag-La-Sn | 0.058428 | null | null | 0.000063 | 2,210.150513 | 54.113003 |
[
[
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[
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[
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[
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[
1.84314441... | [
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[
0,
0,
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] | [
57,
57,
47,
47,
47,
50
] | [
1,
1,
1
] | alex<agm003412366> | Pmm2 | Ag-La-Sn | 0.041122 | null | null | 0.001197 | 2,088.797398 | 62.578285 |
[
[
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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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[
2.426194515,
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[
2.42619451... | [
[
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0,
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[
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[
0,
0,
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] | [
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57,
47,
50,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003534254> | P4/mmm | Ag-La-Sn | 0.067956 | null | null | 0.000169 | 1,895.907489 | 50.589951 |
[
[
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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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71,
71,
71,
49,
49,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002263019> | P4/mbm | Co-In-Lu | 0.063659 | null | null | 0.009822 | 2,802.298522 | 98.244339 |
[
[
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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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68,
68,
68,
68,
68,
68,
52,
52,
46,
46
] | [
1,
1,
1
] | mp-1205487 | Imm2 | Er-Pd-Te | 0.041373 | 0 | null | null | 4,016.663056 | 54.238255 |
[
[
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[
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[
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[
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[
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7.6... | [
[
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[
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[
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0
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] | [
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48,
28,
28,
28,
28
] | [
1,
1,
1
] | mp-12006 | F-43m | Cd-Ce-Ni | 0 | 0 | null | 0.000026 | 1,913.919868 | 120.967522 |
[
[
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0
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[
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[
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[
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4.101260170947533
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[
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1.916466232... | [
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[
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[
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0,
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] | [
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48,
48,
28,
28
] | [
1,
1,
1
] | alex<agm003401568> | C2/m | Cd-Ce-Ni | 0.049316 | null | null | -0.000301 | 1,871.577825 | 81.26194 |
[
[
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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,
0,
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] | [
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58,
48,
28,
28
] | [
1,
1,
1
] | alex<agm002167096> | Immm | Cd-Ce-Ni | 0.07069 | null | null | -0.000019 | 2,335.027679 | 81.448891 |
[
[
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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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41,
41,
41,
41,
41,
41,
41,
24,
24,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1189988 | I4/mcm | Cr-Nb-Si | 0.027117 | 0 | null | 0.000689 | 7,024.805648 | 201.05304 |
[
[
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[
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[
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[
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1.3602051030050082,
-0.76128... | [
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[
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[
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0,
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] | [
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41,
41,
41,
24,
24,
24,
24,
24,
24,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | mp-1220777 | Amm2 | Cr-Nb-Si | 0.084362 | 0 | null | null | 5,536.718602 | 209.448074 |
[
[
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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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3.325262799999999
]
] | [
41,
41,
41,
24,
24,
24,
14,
14,
14
] | [
1,
1,
1
] | mp-9916 | P-62m | Cr-Nb-Si | 0.025055 | 0 | 212.446536 | 0.001785 | 6,120.92039 | 215.180893 |
[
[
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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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[
-1.0857211517465586e-16,
1.77... | [
[
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[
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3.5462344,
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],
[
0,
0,
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] | [
41,
41,
24,
24,
14,
14
] | [
1,
1,
1
] | alex<agm002241606> | P4/nmm | Cr-Nb-Si | 0.079263 | null | null | 0.000782 | 6,120.92039 | 213.908875 |
[
[
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[
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[
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[
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[
0.84233534... | [
[
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[
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],
[
0,
0,
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]
] | [
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41,
41,
41,
24,
24,
24,
24,
14,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002187306> | Pnma | Cr-Nb-Si | 0.05722 | null | null | 0.000086 | 6,120.92039 | 207.440613 |
[
[
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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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41,
24,
24,
14,
14
] | [
1,
1,
1
] | alex<agm002021215> | Imma | Cr-Nb-Si | 0.082531 | null | null | -0.000112 | 6,120.92039 | 218.369232 |
[
[
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[
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[
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[
1.626149789999999... | [
[
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[
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[
0,
0,
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]
] | [
41,
41,
24,
24,
14,
14
] | [
1,
1,
1
] | alex<agm002021207> | Pmmn | Cr-Nb-Si | 0.068178 | null | null | 0.000036 | 6,120.92039 | 212.851334 |
[
[
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[
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[
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[
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1.2... | [
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[
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[
0,
0,
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]
] | [
41,
41,
24,
24,
14,
14
] | [
1,
1,
1
] | alex<agm002021217> | Cmcm | Cr-Nb-Si | 0.09485 | null | null | 0.008653 | 6,120.92039 | 207.570724 |
[
[
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[
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[
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[
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... | [
[
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[
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],
[
4.2237269098402954e-16,
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]
] | [
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40,
40,
40,
40,
40,
27,
83,
83
] | [
1,
1,
1
] | mp-1206046 | P-62m | Bi-Co-Zr | 0 | 0 | null | -0.000003 | 3,993.191862 | 101.908051 |
[
[
0,
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[
1.5141856771969743e-15,
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[
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]
] | [
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[
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[
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0
]
] | [
40,
27,
83
] | [
1,
1,
1
] | mp-31451 | F-43m | Bi-Co-Zr | 0 | 0.9772 | 116.816323 | 0 | 4,594.852918 | 116.9151 |
[
[
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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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16,
16,
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16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-2755772 | Pnma | Ho-S-Sc | 0.012889 | null | null | null | 2,645.639495 | 54.736851 |
[
[
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[
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[
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[
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] | [
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67,
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21,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003710066> | R-3 | Ho-S-Sc | 0.037293 | null | null | -0.000002 | 2,645.639495 | 48.139286 |
[
[
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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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67,
67,
21,
21,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1224056 | Cm | Ho-S-Sc | 0.005294 | 0 | null | null | 2,673.03884 | 56.882999 |
[
[
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[
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[
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],
[
-1.3982399226505799e-1... | [
[
4.56699817,
0,
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],
[
-2.7964798453011597e-16,
4.56699817,
2.7964798453011597e-16
],
[
0,
0,
7.42478276
]
] | [
71,
49,
49,
49,
49,
49,
27
] | [
1,
1,
1
] | alex<agm002144488> | P4/mmm | Co-In-Lu | 0.011985 | null | null | -0.000046 | 2,289.257144 | 60.574268 |
[
[
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[
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[
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[
-3.2532019371498113,
-5.917858395023301,
-7.057629923180282... | [
[
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[
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0,
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[
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0,
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] | [
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67,
67,
67,
67,
67,
21,
21,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003572209> | R-3 | Ho-S-Sc | 0.007065 | null | null | -0 | 2,634.129838 | 44.923458 |
[
[
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0,
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[
0,
0,
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],
[
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[
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3.0711413174266338,
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[
-2.783674977440984e-16,
4.546086233808943,
... | [
[
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0,
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[
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[
0,
0,
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] | [
67,
21,
21,
21,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003560032> | Cmmm | Ho-S-Sc | 0.011451 | null | null | -0.00009 | 2,911.868581 | 71.910912 |
[
[
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[
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[
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[
-3.8873184958719302,
-2.362301661242583,
-6.7565319161457... | [
[
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[
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0,
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[
0,
0,
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] | [
67,
21,
16,
16
] | [
1,
1,
1
] | alex<agm005113954> | R3m | Ho-S-Sc | 0.01978 | null | null | -0.000001 | 2,838.20995 | 68.490623 |
[
[
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[
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[
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[
-1.8394105150000002,
-1.0619841559854786,
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] | [
[
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[
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],
[
0,
0,
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] | [
67,
21,
16,
16
] | [
1,
1,
1
] | alex<agm003616054> | P-3m1 | Ho-S-Sc | 0.083603 | null | null | 0.000049 | 2,838.20995 | 70.623207 |
[
[
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[
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[
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[
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[
2.71994801,
0,
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],
[
-1.6654878121468564e-16,
2.71994801... | [
[
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0,
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[
-3.330975624293713e-16,
5.43989602,
3.330975624293713e-16
],
[
0,
0,
5.43989602
]
] | [
67,
67,
67,
21,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003560033> | Pm-3m | Ho-S-Sc | 0.029157 | null | null | 0.000051 | 2,791.009581 | 66.987282 |
[
[
0,
0,
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[
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],
[
-1.8301742749999999,
1.0566516103351788,
-2.0781517313619378
]
] | [
[
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[
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3.1699548310055348,
2.241317067760578e-16
],
[
0,
0,
-5.98928875
]
] | [
67,
21,
16
] | [
1,
1,
1
] | alex<agm001278898> | P3m1 | Ho-S-Sc | 0.079822 | null | null | 0.000012 | 3,081.821861 | 53.202496 |
[
[
0,
0,
0
],
[
6.096740256452746,
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[
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[
1.8187531668211414,
2.5454203915884017,
0.7334720597191616
],
[
2.899438156979931,
-7.212607560052899... | [
[
1.8790165212627192,
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],
[
5.798876313959862,
0,
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[
-1.8790165212627192,
5.486006144494049,
3.443080372891901
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] | [
71,
49,
49,
49,
49,
49,
49,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002263497> | I-42m | Co-In-Lu | 0.078566 | null | null | 0.015688 | 2,325.094686 | 91.226784 |
[
[
1.8989913649999999,
4.968965880688503,
1.2854560756885038
],
[
1.8989913649999999,
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[
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2.3980537293114965
],
[
1.8989913649999997,
6.081563534311496,
4.968965880688504
],
[
0... | [
[
3.79798273,
0,
2.3255936967557133e-16
],
[
-4.510998492321141e-16,
7.36701961,
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],
[
0,
0,
7.36701961
]
] | [
64,
64,
64,
64,
12,
12,
28,
28,
28,
28
] | [
1,
1,
1
] | mp-1205657 | P4/mbm | Gd-Mg-Ni | 0 | 0 | null | 0.138516 | 2,549.766787 | 84.354034 |
[
[
0,
0,
0
],
[
-5.7795771874926345,
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[
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[
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],
[
-2.7943675408947417,
-1.71341154270... | [
[
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[
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0,
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[
0,
0,
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] | [
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12,
12,
28,
28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | mp-567249 | R-3m | Gd-Mg-Ni | 0 | 0 | null | 0.042267 | 1,776.515235 | 143.382004 |
[
[
0,
0,
0
],
[
6.354892272268273e-16,
3.03559779415585,
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[
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],
[
6.324061127918881e-16,
7.574363389717443,
2.1811168094291164e-17
],
[
-0.708600097090182,
5.57... | [
[
1.430994523468352,
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2.4785552200000005
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[
1.430994523468352,
4.047463725541135,
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],
[
-2.8619890469367038,
4.047463725541135,
0
]
] | [
64,
12,
28,
28,
28,
28
] | [
1,
1,
1
] | mp-977381 | F-43m | Gd-Mg-Ni | 0 | 0 | null | 0.078275 | 2,045.950963 | 122.890968 |
[
[
0,
0,
-3.706043875
],
[
0,
0,
0
],
[
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1.4421722440729652,
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[
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],
[
-2.4979155999999993,
1.4421722440729652,
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],
[
-2.4979156... | [
[
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],
[
-2.4979155999999993,
4.326516732218897,
3.05906434408024e-16
],
[
0,
0,
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]
] | [
62,
62,
12,
12,
81,
81
] | [
1,
1,
1
] | alex<agm002344088> | P6_3/mmc | Mg-Sm-Tl | 0.090919 | null | null | -0.000001 | 4,766.569194 | 35.536812 |
[
[
-1.1102230246251565e-16,
3.3373051016378965,
5.245690776201073e-16
],
[
1.1102230246251565e-16,
10.01191530491369,
6.661338147750939e-16
],
[
5.713697764189347e-16,
6.674610203275793,
4.440892098500626e-16
],
[
0,
0,
0
]
] | [
[
1.5732207121710782,
4.449740135517196,
2.7248982050000006
],
[
1.5732207121710782,
4.449740135517196,
-2.7248982049999997
],
[
-3.146441424342156,
4.449740135517196,
0
]
] | [
62,
62,
12,
81
] | [
1,
1,
1
] | mp-978625 | Fm-3m | Mg-Sm-Tl | 0.004598 | 0 | null | 0.000001 | 4,293.238225 | 32.57935 |
[
[
0,
0,
5.700648952306863
],
[
0,
0,
1.8502019976931376
],
[
1.9518455999999997,
1.9518456,
2.390321466469845e-16
],
[
1.9518455999999997,
1.9518456,
3.7754254750000005
]
] | [
[
3.9036912,
0,
2.390321466469845e-16
],
[
-2.390321466469845e-16,
3.9036912,
2.390321466469845e-16
],
[
0,
0,
7.55085095
]
] | [
62,
62,
12,
81
] | [
1,
1,
1
] | alex<agm001146916> | P4/mmm | Mg-Sm-Tl | 0.078297 | null | null | 0.001177 | 4,293.238225 | 40.150425 |
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