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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] | [
24,
8,
8,
38
] | [
1,
1,
1
] | mp-1282494 | Cmmm | Cr-O-Sr | 0.048639 | 1.3443 | null | 0 | 2,867.136886 | 116.86396 |
[
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[
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[
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[
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0.581297696200200... | [
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[
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] | [
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38,
24,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-18854 | I4/mmm | Cr-O-Sr | 0.020917 | 0 | null | 0.021173 | 2,647.024743 | 124.846581 |
[
[
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[
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[
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[
0,
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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24,
8,
8,
8
] | [
1,
1,
1
] | mp-20029 | Pm-3m | Cr-O-Sr | 0.072094 | 0 | null | 0.034148 | 2,665.271837 | 170.370544 |
[
[
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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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24,
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8,
8,
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8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-755321 | P6_3/mmc | Cr-O-Sr | 0.095982 | 0 | null | 0.033201 | 2,665.271837 | 147.131943 |
[
[
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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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24,
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24,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-769855 | Ama2 | Cr-O-Sr | 0.069769 | 0.6795 | null | 0.032256 | 2,665.271837 | 134.477386 |
[
[
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[
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[
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[
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3.46538347005... | [
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] | [
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24,
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8,
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8,
8,
8
] | [
1,
1,
1
] | alex<agm002363897> | Ibam | Cr-O-Sr | 0.060456 | null | null | 0.034054 | 2,665.271837 | 151.991302 |
[
[
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[
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[
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2.847837432020121,... | [
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[
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[
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] | [
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24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-18833 | R-3m | Cr-O-Sr | 0.004459 | 0 | null | 0.010663 | 2,584.52529 | 50.760223 |
[
[
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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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24,
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8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003213403> | P1 | Cr-O-Sr | 0 | null | null | 0.010616 | 2,584.52529 | 53.400787 |
[
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[
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[
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[
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-3.262374043... | [
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[
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] | [
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8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002173125> | I4_1/amd | Cr-O-Sr | 0 | null | null | -0 | 2,495.13078 | 36.300098 |
[
[
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[
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[
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[
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... | [
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[
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] | [
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66,
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52,
52,
52,
52,
52
] | [
1,
1,
1
] | mp-1086673 | Cmcm | Dy-Te | 0 | 0 | null | 0.000033 | 4,363.598019 | 50.235069 |
[
[
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[
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[
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[
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3.3988075688184347... | [
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[
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] | [
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50,
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] | [
1,
1,
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] | mp-1208446 | Immm | Co-Sn-Tb | 0.019839 | 0 | null | -0.000001 | 2,910.767024 | 61.370472 |
[
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[
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[
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6.95... | [
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] | [
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50,
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] | [
1,
1,
1
] | mp-1208472 | Immm | Co-Sn-Tb | 0.019612 | 0 | null | 0.007407 | 2,375.408109 | 107.074776 |
[
[
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[
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[
2.31263... | [
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] | [
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65,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-30911 | Cmcm | Co-Sn-Tb | 0.057002 | 0 | null | -0.000013 | 2,265.997866 | 80.157494 |
[
[
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[
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[
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[
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[
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] | [
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27,
50,
50,
50,
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] | [
1,
1,
1
] | alex<agm002264173> | Cmcm | Co-Sn-Tb | 0.003104 | null | null | 0.000001 | 2,265.997866 | 83.679176 |
[
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[
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[
3.43571699... | [
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[
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] | [
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27,
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27,
50,
50,
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] | [
1,
1,
1
] | mp-646450 | Pnma | Co-Sn-Tb | 0.005552 | 0 | null | 0.000962 | 2,500.899814 | 102.837555 |
[
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[
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[
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-2.575814998413829... | [
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[
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[
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] | [
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27,
50,
50
] | [
1,
1,
1
] | alex<agm002206587> | C2/m | Co-Sn-Tb | 0.033273 | null | null | 0.000013 | 2,500.899814 | 82.059425 |
[
[
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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,
65,
65,
65,
27,
50,
50
] | [
1,
1,
1
] | alex<agm003529038> | C2/m | Co-Sn-Tb | 0.09356 | null | null | 0.000258 | 2,857.804608 | 60.917271 |
[
[
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[
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[
... | [
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[
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] | [
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65,
27,
27,
50
] | [
1,
1,
1
] | alex<agm002369908> | Immm | Co-Sn-Tb | 0.025631 | null | null | 0.010978 | 2,693.794098 | 95.075211 |
[
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[
... | [
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] | [
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27,
27,
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] | [
1,
1,
1
] | alex<agm003404258> | C2/c | Co-Sn-Tb | 0.027924 | null | null | 0.000003 | 2,693.794098 | 99.675888 |
[
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[
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3... | [
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] | [
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52
] | [
1,
1,
1
] | mp-1103932 | Cmcm | Dy-Te | 0.022286 | 0 | null | null | 4,292.523364 | 54.170341 |
[
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[
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3.261395082205729... | [
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] | [
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27,
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50,
50,
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] | [
1,
1,
1
] | alex<agm003338752> | C2/m | Co-Sn-Tb | 0 | null | null | 0.000014 | 2,389.930786 | 75.738518 |
[
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[
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... | [
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] | [
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1,
1
] | alex<agm003590007> | Im-3 | Co-Sn-Tb | 0.080651 | null | null | 0.000002 | 1,873.581831 | 54.901047 |
[
[
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0
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[
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[
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1.37166456049366,
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[
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[
3.5676617556528765,
-2.1811135409348... | [
[
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[
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[
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] | [
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27,
27,
27,
27,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002205797> | I-42m | Co-Sn-Tb | 0 | null | null | 0.000025 | 2,049.621403 | 95.882004 |
[
[
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[
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[
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[
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3.6202615473580746
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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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65,
27,
27,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003399213> | P2_1/m | Co-Sn-Tb | 0.06823 | null | null | 0.006594 | 2,315.738334 | 99.447037 |
[
[
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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,
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65,
65,
65,
65,
65,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm003738964> | C2/c | Co-Sn-Tb | 0.065246 | null | null | -0.000001 | 2,852.087517 | 71.663208 |
[
[
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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,
27,
27,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002264193> | Cmmm | Co-Sn-Tb | 0.056612 | null | null | 0.000002 | 2,128.258869 | 62.555031 |
[
[
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[
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[
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0.7325754795074679,
-1.205583167452247... | [
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[
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] | [
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65,
65,
65,
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003391133> | Ibam | Co-Sn-Tb | 0.088723 | null | null | 0.006405 | 2,481.796043 | 73.341141 |
[
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[
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] | [
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65,
65,
65,
27,
27,
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50,
50,
50
] | [
1,
1,
1
] | alex<agm002264174> | C2/m | Co-Sn-Tb | 0.004982 | null | null | 0.000035 | 2,481.796043 | 76.748955 |
[
[
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[
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[
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[
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] | [
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65,
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27,
27,
27,
27,
50,
50,
50,
50
] | [
1,
1,
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] | alex<agm002333450> | I-43m | Co-Sn-Tb | 0.077234 | null | null | 0.004476 | 2,420.710905 | 97.747116 |
[
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[
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0.5695434133663303,
-11.8215893109519... | [
[
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[
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[
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] | [
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52,
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52,
52,
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52,
52,
52,
52
] | [
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1,
1
] | mp-1188427 | Fddd | Dy-Te | 0 | 0.5488 | null | null | 4,073.495338 | 46.281116 |
[
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[
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[
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0,
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[
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4.75... | [
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[
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[
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] | [
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27,
27,
27,
27,
27,
27,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003695750> | Immm | Co-Sn-Tb | 0.055851 | null | null | 0.000086 | 2,112.21019 | 125.024216 |
[
[
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[
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[
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[
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1.334141829962698,
-3.4173732199807065
... | [
[
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[
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[
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0,
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] | [
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65,
65,
65,
65,
65,
65,
27,
27,
27,
27,
27,
27,
50
] | [
1,
1,
1
] | alex<agm003694178> | Im-3 | Co-Sn-Tb | 0 | null | null | -0 | 2,965.721244 | 65.31649 |
[
[
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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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65,
65,
65,
65,
65,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm003710680> | P2_1/m | Co-Sn-Tb | 0.07715 | null | null | 0.00004 | 2,791.882108 | 68.19342 |
[
[
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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,
65,
65,
65,
65,
27,
50,
50
] | [
1,
1,
1
] | alex<agm002206551> | P-62m | Co-Sn-Tb | 0.058527 | null | null | 0.000266 | 2,796.214362 | 64.280907 |
[
[
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[
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[
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[
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1.270670525,
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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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65,
27,
27,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm002332870> | Pmma | Co-Sn-Tb | 0.052428 | null | null | 0.025323 | 2,530.567471 | 109.966095 |
[
[
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[
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[
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[
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0.18522435706123658,
... | [
[
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[
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0,
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[
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] | [
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65,
65,
65,
65,
65,
65,
27,
27,
27,
27,
50,
50
] | [
1,
1,
1
] | alex<agm003477565> | I4/mcm | Co-Sn-Tb | 0.045033 | null | null | 0.000641 | 2,881.603113 | 72.398926 |
[
[
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[
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[
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[
1.1328925073960265,
-4.4220742268... | [
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[
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[
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] | [
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65,
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27,
27,
50,
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] | [
1,
1,
1
] | alex<agm002263168> | C2/m | Co-Sn-Tb | 0.048024 | null | null | 0.000112 | 2,488.55868 | 76.10524 |
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