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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1,
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[
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[
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] | mp-1205427 | C2/m | Ba-H-Ni-O-V | 0 | 2.5876 | null | null | 1,749.346845 | 71.175583 |
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50
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1,
1,
1
] | mp-1206318 | Cmmm | Nd-Sn | 0 | 0 | null | 0.000003 | 2,113.643313 | 50.621651 |
[
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] | mp-1209854 | Cmmm | Nd-Sn | 0.000297 | 0 | null | null | 2,090.600136 | 49.931187 |
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[
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2.28... | [
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1,
1
] | mp-12701 | Cmmm | Nd-Sn | 0 | 0 | null | -0 | 2,166.896888 | 52.117111 |
[
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1,
1
] | alex<agm002188877> | I4_1/amd | Nd-Sn | 0.004635 | null | null | 0.00008 | 2,166.896888 | 51.1171 |
[
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50
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] | alex<agm002188878> | Cmcm | Nd-Sn | 0.007793 | null | null | -0 | 2,166.896888 | 43.879459 |
[
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27
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1,
1,
1
] | alex<agm002263938> | P-62m | Co-In-Lu | 0.039604 | null | null | 0.001022 | 2,893.650014 | 71.606499 |
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1,
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] | mp-1977 | Pm-3m | Nd-Sn | 0 | 0 | null | 0.000033 | 2,032.404291 | 45.732197 |
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50,
50,
50,
50,
50,
50
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1,
1
] | alex<agm002243291> | Cmcm | Nd-Sn | 0.006637 | null | null | 0 | 2,032.404291 | 52.32336 |
[
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50
] | [
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1,
1
] | mp-30290 | P-1 | Nd-Sn | 0 | 0 | null | -0 | 2,271.294759 | 50.205517 |
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60,
60,
50,
50,
50,
50,
50,
50
] | [
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1,
1
] | alex<agm003287522> | P4/m | Nd-Sn | 0.035949 | null | null | -0 | 2,271.294759 | 42.983921 |
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1.941... | [
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[
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60,
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60,
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50,
50,
50,
50,
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50
] | [
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1,
1
] | mp-510503 | P6_3/mcm | Nd-Sn | 0 | 0 | null | 0.000027 | 2,604.153749 | 37.609924 |
[
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[
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60,
60,
60,
60,
60,
60,
50,
50,
50,
50
] | [
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1,
1
] | alex<agm002320301> | Pnma | Nd-Sn | 0.018051 | null | null | 0 | 2,662.702299 | 50.64817 |
[
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[
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60,
60,
60,
50,
50
] | [
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1,
1
] | alex<agm003295067> | I4/mmm | Nd-Sn | 0.024152 | null | null | 0.000184 | 2,662.702299 | 46.456646 |
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50
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1,
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] | alex<agm001280094> | I4/mmm | Nd-Sn | 0.050025 | null | null | 0.000336 | 2,777.088547 | 55.239998 |
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[
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... | [
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1,
1
] | alex<agm002320707> | P6_3/mmc | Nd-Sn | 0.052502 | null | null | 0.002172 | 2,777.088547 | 59.536572 |
[
[
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8.82524555315662,
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[
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[
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[
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[
1.0400651... | [
[
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[
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] | [
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60,
60,
60,
60,
60,
60,
50
] | [
1,
1,
1
] | alex<agm003299704> | Fm-3m | Nd-Sn | 0.075446 | null | null | 0.002909 | 2,942.197475 | 50.771591 |
[
[
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[
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[
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[
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[
0.9800055460743176,
2.77187426... | [
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[
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] | [
60,
50,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003299705> | Fm-3m | Nd-Sn | 0.03823 | null | null | 0 | 1,821.862528 | 41.815853 |
[
[
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[
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[
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[
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... | [
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[
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] | [
60,
60,
60,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003290615> | I-4m2 | Nd-Sn | 0.04721 | null | null | 0.000106 | 2,232.470213 | 48.780983 |
[
[
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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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1.446022976567346
... | [
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[
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0,
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] | [
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60,
60,
60,
60,
60,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm002320001> | P4/mbm | Nd-Sn | 0.027001 | null | null | 0.000163 | 2,568.578489 | 51.024746 |
[
[
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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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60,
50,
50
] | [
1,
1,
1
] | alex<agm001416909> | Cmcm | Nd-Sn | 0 | null | null | 0.000097 | 2,422.823177 | 49.844383 |
[
[
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[
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[
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[
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2.6805422965145564,
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[
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] | [
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60,
50,
50
] | [
1,
1,
1
] | alex<agm003293658> | Imma | Nd-Sn | 0.093732 | null | null | 0.000102 | 2,422.823177 | 49.411659 |
[
[
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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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60,
60,
60,
60,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003292043> | C2/m | Nd-Sn | 0.031692 | null | null | -0.000001 | 2,504.489779 | 44.711102 |
[
[
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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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[
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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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40,
40,
40,
40,
40,
40,
40,
22
] | [
1,
1,
1
] | alex<agm003300632> | I4/mmm | Ti-Zr | 0.055033 | null | null | -0.000105 | 2,538.447314 | 92.661057 |
[
[
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[
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[
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[
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1.1654441751715094... | [
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[
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] | [
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69,
69,
69,
69,
69,
69,
69,
69,
49,
49,
49,
49,
29,
29
] | [
1,
1,
1
] | alex<agm003489217> | P4_2/mnm | Cu-In-Tm | 0.050515 | null | null | 0.000009 | 2,828.897571 | 55.32156 |
[
[
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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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2.128... | [
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[
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[
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] | [
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65,
31,
31,
31,
31,
31,
31,
31,
31,
27
] | [
1,
1,
1
] | mp-1095624 | P4/mmm | Co-Ga-Tb | 0.008177 | 0 | null | 0.000132 | 2,358.572778 | 71.08503 |
[
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[
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-5.539882416225982... | [
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[
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0,
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] | [
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60,
60,
60,
60,
60,
60,
50,
50,
50
] | [
1,
1,
1
] | alex<agm003291154> | C2/m | Nd-Sn | 0.055026 | null | null | -0 | 2,708.884454 | 54.308548 |
[
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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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] | [
60,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | alex<agm001192975> | Cmmm | Nd-Sn | 0.074874 | null | null | 0.000063 | 1,893.257449 | 46.095444 |
[
[
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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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63,
63,
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63,
63,
63,
63,
63,
63,
63,
63,
45,
45,
45,
45
] | [
1,
1,
1
] | mp-1189512 | Pnma | Eu-Rh | 0 | 0 | null | null | 4,002.360784 | 34.803574 |
[
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[
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5.148329700003242,
-1.6870778639707311... | [
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[
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] | [
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63,
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45
] | [
1,
1,
1
] | alex<agm001283278> | Immm | Eu-Rh | 0.053721 | null | null | 0.152446 | 4,002.360784 | 22.438318 |
[
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[
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[
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6.07004414... | [
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[
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[
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0
]
] | [
63,
63,
45,
45,
45,
45
] | [
1,
1,
1
] | mp-623827 | Fd-3m | Eu-Rh | 0 | 0 | null | -0.000248 | 5,918.737754 | 124.845009 |
[
[
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[
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[
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[
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-0.5048085636413103,
-1.817295826765240... | [
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[
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] | [
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21,
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34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1205354 | Fddd | Sc-Se | 0 | 0.6258 | null | null | 2,615.350646 | 28.899736 |
[
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[
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-1.87158423607358... | [
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[
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] | [
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21,
34,
34,
34
] | [
1,
1,
1
] | mp-1219395 | Immm | Sc-Se | 0.027193 | 0.6247 | null | null | 2,615.350646 | 28.024548 |
[
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... | [
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] | [
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21,
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21,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-684690 | C2/c | Sc-Se | 0.034276 | 0.5374 | null | null | 2,615.350646 | 28.51017 |
[
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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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34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002184079> | C2/m | Sc-Se | 0.00143 | null | null | 0 | 2,615.350646 | 28.666336 |
[
[
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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,
31,
31,
27,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-1104279 | Cmcm | Co-Ga-Tb | 0.001987 | 0 | null | null | 2,886.550912 | 98.897026 |
[
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[
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-2.580529534... | [
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[
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[
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] | [
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21,
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34,
34
] | [
1,
1,
1
] | alex<agm003194007> | R-3m | Sc-Se | 0.055148 | null | null | -0.000102 | 2,615.350646 | 27.806583 |
[
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],
[
-2.8106082722574253,
-1.9187324042469516,
-9.251785049375295
],
[
-1.2833851352722803,
-0.8761351307765043,
-4.859846025419967
... | [
[
-2.1860068133252533,
-5.589735070046911,
-3.127782854795262
],
[
-6.001980001734158,
0,
-3.127782854795262
],
[
0,
0,
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]
] | [
21,
21,
21,
21,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002238531> | R-3c | Sc-Se | 0.050704 | null | null | -0 | 2,615.350646 | 49.719189 |
[
[
-1.9457158449999998,
1.1233595668772707,
-1.7740974942983805
],
[
-1.9457158450000003,
-1.1233595668772707,
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],
[
0,
0,
0
],
[
-1.9457158449999998,
1.1233595668772707,
-6.910982295758748
],
[
-1.9457158450000003,
-1.123359566... | [
[
-1.9457158450000005,
-3.3700787006318107,
-4.765629363259075e-16
],
[
-1.9457158449999996,
3.3700787006318107,
2.3828146816295376e-16
],
[
0,
0,
-10.0292579
]
] | [
21,
21,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003194009> | P-3m1 | Sc-Se | 0.055785 | null | null | -0.0001 | 2,615.350646 | 26.793264 |
[
[
-1.8711451750000005,
-1.0803061704791197,
-1.7109202375000003
],
[
-1.8711451750000005,
1.0803061704791197,
-5.1327607125000005
],
[
0,
0,
0
],
[
0,
0,
-3.421840475
]
] | [
[
-1.8711451750000005,
-3.2409185114373584,
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],
[
-1.8711451749999997,
3.2409185114373584,
2.291491949303764e-16
],
[
0,
0,
-6.84368095
]
] | [
21,
21,
34,
34
] | [
1,
1,
1
] | alex<agm003188433> | P6_3/mmc | Sc-Se | 0.076182 | null | null | 0.000131 | 2,843.263616 | 55.896626 |
[
[
2.9628962181230523,
2.7898936425,
3.8332756151326652
],
[
0.6244875297099457,
0.9299645475,
2.306762715688439
],
[
2.2454764720842055,
2.7898936425,
1.1832353133996028
],
[
1.3419072757487924,
0.9299645475,
4.956803017421502
]
] | [
[
3.5873837478329977,
0,
-0.9711776591788949
],
[
-2.2777562128327837e-16,
3.71985819,
2.2777562128327837e-16
],
[
0,
0,
7.11121599
]
] | [
21,
21,
34,
34
] | [
1,
1,
1
] | alex<agm003188434> | Cmcm | Sc-Se | 0.075722 | null | null | -0.00003 | 2,843.263616 | 51.324291 |
[
[
-1.8193210900000005,
-1.0503855210538637,
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],
[
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1.0503855210538637,
-1.7024457383199438
],
[
0,
0,
0
]
] | [
[
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],
[
-1.8193210899999996,
3.1511565631615905,
2.228025749489774e-16
],
[
0,
0,
-5.97904216
]
] | [
21,
21,
34
] | [
1,
1,
1
] | alex<agm003158369> | P-3m1 | Sc-Se | 0.062812 | null | null | 0.000388 | 3,284.308743 | 59.23418 |
[
[
2.291365175317357,
1.364376045,
1.561894105646374
],
[
3.3247811245069756,
1.364376045,
5.476732927675338
],
[
0.1885341968968142,
4.093128135,
0.7142148269247132
],
[
1.2219501460864333,
4.093128135,
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],
[
1.063145307240959,
... | [
[
3.51331532140379,
0,
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],
[
-3.34175751268515e-16,
5.45750418,
3.34175751268515e-16
],
[
0,
0,
7.11837191
]
] | [
21,
21,
21,
21,
34,
34
] | [
1,
1,
1
] | alex<agm003198720> | Cmcm | Sc-Se | 0.0501 | null | null | -0.000001 | 3,284.308743 | 55.72678 |
[
[
1.0303648075,
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1.4178817489608282
],
[
1.0303648074999998,
3.5405779461156337,
2.399067276039172
],
[
3.0910944225,
6.542929713884366,
6.216016301039173
],
[
3.0910944225000003,
3.1817604938843664,
5.234830773960828
],
[
1.0303... | [
[
4.12145923,
0,
2.5236659269179074e-16
],
[
-4.116245126665606e-16,
6.72233844,
4.116245126665606e-16
],
[
0,
0,
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]
] | [
65,
65,
65,
65,
31,
31,
31,
31,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-1103095 | Pnma | Co-Ga-Tb | 0 | 0 | null | null | 2,727.09402 | 102.284927 |
[
[
0.5258684605358891,
1.0748739152048465,
5.047733065707572
],
[
1.556669978099732,
1.2816352802369575,
1.0938216759709627
],
[
3.2880934971203035,
3.881542511155926,
8.582170211248975
],
[
4.318895014684146,
4.0883038761880375,
4.628258821512366
],
[
... | [
[
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0,
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],
[
1.3955287590146244,
5.163177791392884,
1.7119213115319054
],
[
0,
0,
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]
] | [
21,
21,
21,
21,
34,
34
] | [
1,
1,
1
] | alex<agm003198719> | C2/m | Sc-Se | 0.064951 | null | null | -0.000002 | 3,284.308743 | 62.173946 |
[
[
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],
[
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1.0315673634931457,
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],
[
-1.7867270850000005,
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],
[
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1.0315673634931457,
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],
[
... | [
[
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-3.0947020904794367,
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],
[
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3.0947020904794367,
2.188109605595131e-16
],
[
0,
0,
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]
] | [
21,
21,
21,
21,
34,
34
] | [
1,
1,
1
] | alex<agm002238529> | P6_3/mmc | Sc-Se | 0.074484 | null | null | 0.01729 | 3,284.308743 | 59.260841 |
[
[
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3.5810530948293993,
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[
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],
[
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7.236171759829398,
1.6471274078067313
],
[
2.6822894025,
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],
[
... | [
[
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0,
2.189904754105661e-16
],
[
-4.476229373595996e-16,
7.31023733,
4.476229373595996e-16
],
[
0,
0,
9.48610323
]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003209719> | Pnma | Sc-Se | 0.042293 | null | null | 0.000716 | 3,284.308743 | 64.957932 |
[
[
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4.741073613020269,
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[
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1.4002416909818014,
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[
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2.4549777731863833,
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],
[
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3.6863375308156874,
1.2437357720317126
... | [
[
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0,
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],
[
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6.141315304002071,
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],
[
0,
0,
11.69141126
]
] | [
21,
21,
21,
21,
21,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002238637> | C2/m | Sc-Se | 0.059829 | null | null | -0 | 2,651.674838 | 49.739429 |
[
[
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[
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[
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[
-4.883390685037121,
-0.9170482246802781,
-2.218262225525... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
21,
21,
21,
21,
21,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003292802> | C2/m | Sc-Se | 0 | null | null | 0.000004 | 2,736.641029 | 52.443108 |
[
[
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[
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[
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],
[
0.7702698299970323,
-1.4788510160306685,
-4.61665706555365... | [
[
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0,
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[
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],
[
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0,
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]
] | [
21,
21,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002017278> | C2/m | Sc-Se | 0.036675 | null | null | 0.000037 | 2,476.142185 | 29.040878 |
[
[
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[
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[
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],
[
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1.1858045763160128,
6.111377185330431
... | [
[
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0,
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[
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],
[
0,
0,
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]
] | [
21,
21,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002017273> | C2/m | Sc-Se | 0.061218 | null | null | 0.000019 | 2,476.142185 | 42.528118 |
[
[
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[
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[
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],
[
5.047904553592493,
6.492539392720701,
2.196232042500001
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[
3.7906... | [
[
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0,
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],
[
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6.64682782,
4.07000820712329e-16
],
[
0,
0,
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]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003220721> | Pnma | Sc-Se | 0.010099 | null | null | 0.004575 | 3,539.900044 | 66.587814 |
[
[
0,
0,
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],
[
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[
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1.2153934404238238,
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],
[
-2.10512319,
-1.2153934404238242,
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],
[
-2.10512319,
1.2153934404238238,
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],
[
-2.10512319,
-1.2153934404... | [
[
-2.1051231900000005,
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],
[
-2.1051231899999996,
3.6461803212714714,
2.5780323764443656e-16
],
[
0,
0,
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]
] | [
65,
65,
31,
31,
27,
27
] | [
1,
1,
1
] | alex<agm002206131> | P6_3/mmc | Co-Ga-Tb | 0.047968 | null | null | 0.000665 | 2,727.09402 | 99.367989 |
[
[
0,
0,
0
],
[
-4.884059661420264,
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[
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[
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],
[
-4.247997627330679,
-6.77397338765922... | [
[
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0,
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],
[
-1.826411459642669,
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],
[
-3.652822914554137,
0,
6.798519318733321
]
] | [
21,
21,
21,
21,
21,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002184172> | I4/m | Sc-Se | 0.074812 | null | null | -0.000007 | 2,981.031652 | 59.916397 |
[
[
3.1292802444117127,
2.8814419874999997,
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],
[
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],
[
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],
[
3.472921833707532,
0.9604806625,
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],
[
1.5759... | [
[
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0,
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],
[
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3.84192265,
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],
[
0,
0,
12.41205188
]
] | [
21,
21,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002314843> | Cmcm | Sc-Se | 0.012673 | null | null | 0.000001 | 2,314.728451 | 33.93177 |
[
[
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0
],
[
-4.249173991484519,
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],
[
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[
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],
[
-3.2700462336252367,
-1.938276933... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
21,
21,
21,
34,
34
] | [
1,
1,
1
] | alex<agm003287980> | R-3m | Sc-Se | 0.033149 | null | null | 0.004548 | 3,097.64618 | 61.568001 |
[
[
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[
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[
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],
[
-2.132423463718572,
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[
-0.6879160335860308,
-0.402849790... | [
[
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],
[
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0,
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],
[
0,
0,
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]
] | [
21,
21,
21,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003289821> | R-3m | Sc-Se | 0.077244 | null | null | 0.000084 | 2,678.012192 | 33.521366 |
[
[
3.683951,
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],
[
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],
[
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],
[
1.8419754999999998,
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],
[
... | [
[
3.683951,
0,
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],
[
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5.256190690374981,
3.0346631100000008
],
[
3.218488552337919e-16,
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]
] | [
24,
24,
24,
26,
26,
26,
33,
33,
33
] | [
1,
1,
1
] | mp-1206083 | P-62m | As-Cr-Fe | 0.040975 | 0 | null | 0.052933 | 3,233.993643 | 131.519226 |
[
[
0,
0,
0
],
[
-5.517440028700314e-16,
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],
[
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4.756884891773724,
1.2880779776125547e-17
]
] | [
[
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],
[
1.121208521432345,
3.1712565945158144,
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],
[
-2.2424170428646897,
3.1712565945158144,
0
]
] | [
24,
26,
33
] | [
1,
1,
1
] | alex<agm002265719> | F-43m | As-Cr-Fe | 0.017841 | null | null | 0.024124 | 3,233.993643 | 143.970718 |
[
[
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2.707787078236483,
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],
[
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],
[
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1.8522314326399683
],
[
1.7271429999999999,
5.365305425548968,
1.2283972455761847
... | [
[
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0,
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33,
33
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1,
1,
1
] | mp-1226290 | Pm | As-Cr-Fe | 0.009156 | 0 | null | 0.034388 | 3,171.07688 | 155.758484 |
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1,
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] | alex<agm002206132> | P-62m | Co-Ga-Tb | 0.016733 | null | null | 0.000013 | 2,727.09402 | 106.877861 |
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[
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1,
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] | mp-1206012 | P-62m | Mn-Te-Zr | 0 | 0 | null | 0.008557 | 3,233.260565 | 111.96402 |
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[
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1.11966853485207... | [
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] | alex<agm002202243> | C2/m | C-Ni-Tm | 0.052061 | null | null | -0.000023 | 2,619.814052 | 103.880692 |
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] | mp-1205795 | Imma | B-La-Ni | 0.001018 | 0 | null | null | 2,198.761752 | 114.9664 |
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27
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1,
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] | alex<agm002263771> | C2/m | Co-Ga-Tb | 0.007673 | null | null | 0.000282 | 2,727.09402 | 93.986092 |
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] | mp-3471 | C2/m | B-La-Ni | 0 | 0 | null | null | 2,258.507506 | 128.06134 |
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[
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] | mp-4634 | P6/mmm | B-La-Ni | 0 | 0 | null | -0.000002 | 2,092.09397 | 150.476044 |
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[
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0.64857... | [
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] | alex<agm002137851> | P6_222 | B-La-Ni | 0.070949 | null | null | 0.000156 | 2,352.307993 | 116.28019 |
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] | mp-1206192 | Imm2 | Au-Te-Y | 0.063116 | 0 | null | null | 2,565.919069 | 51.638821 |
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] | mp-1205813 | P4/mbm | Gd-Mg-Si | 0 | 0 | null | 0.12588 | 2,641.359222 | 75.510345 |
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1,
1
] | mp-1206259 | P-62m | Au-Mg-Tm | 0 | 0 | null | 0.000385 | 1,878.022211 | 64.209915 |
[
[
-2.5275433850000004,
-1.4592778537182083,
-4.508920725
],
[
-2.527543385,
1.4592778537182065,
-1.502973575
],
[
0,
0,
0
],
[
0,
0,
-3.00594715
],
[
-2.527543385,
1.4592778537182065,
-4.508920725
],
[
-2.5275433850000004,
-1.45... | [
[
-2.5275433850000004,
-4.377833561154624,
-6.190695832292632e-16
],
[
-2.5275433849999995,
4.377833561154624,
3.095347916146316e-16
],
[
0,
0,
-6.0118943
]
] | [
69,
69,
12,
12,
79,
79
] | [
1,
1,
1
] | alex<agm003603902> | P6_3/mmc | Au-Mg-Tm | 0.070327 | null | null | -0.000001 | 1,878.022211 | 63.043476 |
[
[
1.12754942,
0.25497445585360834,
2.7467229872357266
],
[
3.38264826,
3.2461022791463914,
6.978879892235728
],
[
3.3826482599999994,
6.747179014146392,
5.717590822764274
],
[
1.1275494199999998,
3.7560511908536083,
1.4854339177642735
],
[
3.382648... | [
[
4.51019768,
0,
2.7616995761669093e-16
],
[
-4.2875824170870157e-16,
7.00215347,
4.2875824170870157e-16
],
[
0,
0,
8.46431381
]
] | [
69,
69,
69,
69,
12,
12,
12,
12,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002287432> | Pnma | Au-Mg-Tm | 0.048338 | null | null | 0.000358 | 1,878.022211 | 59.305195 |
[
[
-7.395212768549878e-17,
1.2077298979099464,
2.091849545
],
[
1.835814395,
0,
4.18369909
],
[
1.8358143950000003,
-1.2077298979099464,
2.091849545
]
] | [
[
3.67162879,
0,
2.2482242226653847e-16
],
[
-2.218563830564963e-16,
3.623189693729839,
2.091849545000001
],
[
2.218563830564963e-16,
-3.623189693729839,
2.091849544999999
]
] | [
65,
31,
27
] | [
1,
1,
1
] | alex<agm001267982> | P-6m2 | Co-Ga-Tb | 0.070685 | null | null | 0.000773 | 2,727.09402 | 101.314194 |
[
[
0,
0,
0
],
[
4.440892098500626e-16,
5.963033506481974,
1.1584509168605095e-15
],
[
-5.131452934978852e-16,
2.9815167532409874,
2.220446049250313e-16
],
[
5.551115123125783e-16,
8.944550259722961,
8.881784197001252e-16
]
] | [
[
1.405500476292,
3.975355670987982,
2.4343982350000006
],
[
1.405500476292,
3.975355670987982,
-2.4343982349999997
],
[
-2.8110009525839996,
3.975355670987982,
0
]
] | [
69,
12,
79,
79
] | [
1,
1,
1
] | mp-865225 | Fm-3m | Au-Mg-Tm | 0 | 0 | null | 0.000017 | 1,583.490251 | 77.812622 |
[
[
1.710631555,
1.710631555,
3.493508015
],
[
1.710631555,
1.710631555,
2.0949194583512094e-16
],
[
0,
0,
5.307229077639535
],
[
0,
0,
1.6797869523604652
]
] | [
[
3.42126311,
0,
2.0949194583512094e-16
],
[
-2.0949194583512094e-16,
3.42126311,
2.0949194583512094e-16
],
[
0,
0,
6.98701603
]
] | [
69,
12,
79,
79
] | [
1,
1,
1
] | alex<agm001140690> | P4/mmm | Au-Mg-Tm | 0.065071 | null | null | 0 | 1,583.490251 | 77.56105 |
[
[
0,
0,
5.669800855867783
],
[
0,
0,
1.6559803041322165
],
[
1.8213763449999998,
1.821376345,
3.6628905800000005
],
[
1.8213763449999998,
1.821376345,
2.2305427109469554e-16
]
] | [
[
3.64275269,
0,
2.2305427109469554e-16
],
[
-2.2305427109469554e-16,
3.64275269,
2.2305427109469554e-16
],
[
0,
0,
7.32578116
]
] | [
69,
69,
12,
79
] | [
1,
1,
1
] | alex<agm001140692> | P4/mmm | Au-Mg-Tm | 0.070171 | null | null | 0.000109 | 2,247.221082 | 51.232086 |
[
[
-1.545144872612665e-16,
2.523413075,
1.545144872612665e-16
],
[
0,
0,
2.523413075
],
[
1.8562838949999998,
2.523413075,
2.5234130750000006
],
[
1.856283895,
0,
1.1366460651602657e-16
]
] | [
[
3.71256779,
0,
2.2732921303205314e-16
],
[
-3.09028974522533e-16,
5.04682615,
3.09028974522533e-16
],
[
0,
0,
5.04682615
]
] | [
69,
69,
12,
79
] | [
1,
1,
1
] | alex<agm001214896> | P4/mmm | Au-Mg-Tm | 0.086423 | null | null | -0 | 2,247.221082 | 59.835072 |
[
[
1.81848527436303,
2.967942047329925,
3.753889714038542e-16
],
[
1.8184852746297846,
1.725006686957114,
3.5970480950000003
],
[
1.7970016091737553e-8,
1.0010244659259484,
5.746388142570521
],
[
1.7970016091737553e-8,
1.0010244659259484,
1.4477080474294783... | [
[
3.63697055,
0,
2.2270021713253445e-16
],
[
-1.8184852760208656,
4.7566910582141,
3.1182233814995875e-16
],
[
0,
0,
7.19409619
]
] | [
69,
12,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003751727> | Amm2 | Au-Mg-Tm | 0.091691 | null | null | -0.000422 | 1,349.207446 | 89.495193 |
[
[
2.148872218176902,
0.59953685117713,
2.039601165
],
[
1.895712054363446e-8,
4.539172351647898,
6.118803495000001
],
[
2.148872216475739,
3.6497299279229147,
3.63380360975266
],
[
2.065828416003006e-8,
1.488979274902113,
4.524601050247342
],
[
2.0... | [
[
4.29774448,
0,
2.6316095104926034e-16
],
[
-2.1488722428659774,
5.138709202825027,
3.4105909965186994e-16
],
[
0,
0,
8.15840466
]
] | [
69,
69,
12,
12,
12,
12,
79,
79
] | [
1,
1,
1
] | alex<agm002220054> | Cmcm | Au-Mg-Tm | 0.067125 | null | null | 0.000099 | 1,797.221346 | 59.755173 |
[
[
-3.378789315654069,
0.7980194660142358,
-6.790898344386393
],
[
-0.313852236246538,
-0.7980194660142357,
-1.471441330666984
],
[
-0.40538210029073707,
3.6638168529914013,
-1.9005630935997713
],
[
-2.588585884705472,
1.0256625192251065,
-3.086167730298233... | [
[
-3.6926415519006075,
0,
0.787624884946622
],
[
-0.810764200581474,
7.3276337059828025,
-3.8011261871995425
],
[
0.810764200581474,
-7.3276337059828025,
-5.248838372800456
]
] | [
69,
69,
69,
12,
12,
12,
12,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003378839> | Immm | Au-Mg-Tm | 0.072999 | null | null | 0.000171 | 1,729.710194 | 60.007069 |
[
[
-4.386921603777986,
-1.775616830279727,
2.9090606579331744
],
[
-3.47425021241622,
1.7756168302797275,
-0.1481178105104604
],
[
-6.570161895596197,
1.7756168302797286,
-2.3420963391751006
],
[
-1.2910099205980081,
-1.7756168302797275,
5.103039186597815
... | [
[
-3.689744503964179,
-6.785195903210181,
-3.125336745190742
],
[
0,
0,
8.33191621
],
[
-4.171427312230026,
6.785195903210181,
-2.4456366173865423
]
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
31,
31,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-1188624 | Immm | Co-Ga-Tb | 0 | 0 | null | null | 2,985.365525 | 65.292381 |
[
[
1.67399931,
1.67399931,
5.22585318
],
[
1.67399931,
1.67399931,
8.80293578094054
],
[
1.67399931,
1.67399931,
1.648770579059459
],
[
0,
0,
0
],
[
0,
0,
7.131706052669395
],
[
0,
0,
3.3200003073306035
]
] | [
[
3.34799862,
0,
2.0500578967663778e-16
],
[
-2.0500578967663778e-16,
3.34799862,
2.0500578967663778e-16
],
[
0,
0,
10.45170636
]
] | [
69,
12,
12,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003438463> | P4/mmm | Au-Mg-Tm | 0.067001 | null | null | 0.000326 | 1,408.756667 | 75.67289 |
[
[
2.0233207826806296,
0,
-0.5629721978201832
],
[
1.0778638970591372,
-2.223744335639784,
-3.9609420666878736
],
[
-0.559282641819992,
-4.229366179327681,
-2.01006052605432
],
[
-1.3204890386092678,
-3.496020503563645,
-4.745834562711549
],
[
1.762... | [
[
4.046641565361259,
0,
-1.1259443956403663
],
[
0.518581255239145,
-6.453110514967466,
1.8637798372578067
],
[
-4.046641565361259,
0,
-6.708838034359633
]
] | [
69,
12,
12,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003531750> | C2/m | Au-Mg-Tm | 0.040535 | null | null | -0.000421 | 1,184.275427 | 95.669144 |
[
[
0,
0,
0
],
[
0,
0,
7.534751233836165
],
[
0,
0,
3.4304663461638354
],
[
1.80862774,
1.80862774,
5.48260879
],
[
1.80862774,
1.80862774,
9.122620005508931
],
[
1.80862774,
1.80862774,
1.8425975744910676
]
] | [
[
3.61725548,
0,
2.2149301726401113e-16
],
[
-2.2149301726401113e-16,
3.61725548,
2.2149301726401113e-16
],
[
0,
0,
10.96521758
]
] | [
69,
69,
69,
12,
79,
79
] | [
1,
1,
1
] | alex<agm003438462> | P4/mmm | Au-Mg-Tm | 0.074824 | null | null | 0.000368 | 2,137.390977 | 63.028217 |
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