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{
"id": "jvasp-116196",
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{
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{
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{
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"structure_string": "Cd8 As8\n1.0\n6.126778 -0.000000 0.000000\n0.000000 7.912642 0.000000\n0.000000 0.000000 8.131887\nCd As\n8 8\ndirect\n0.050256 0.631958 0.861689 Cd\n0.550256 0.868042 0.138311 Cd\n0.949744 0.131958 0.638311 Cd\n0.449744 0.368042 0.361689 Cd\n0.949744 0.368042 0.138311 Cd\n0.449744 0.131958 0.861689 Cd\n0.050256 0.868042 0.361689 Cd\n0.550256 0.631958 0.638311 Cd\n0.633133 0.065382 0.403619 As\n0.133133 0.434617 0.596381 As\n0.366867 0.565382 0.096381 As\n0.866868 0.934617 0.903619 As\n0.366867 0.934617 0.596381 As\n0.866868 0.565382 0.403619 As\n0.633133 0.434617 0.903619 As\n0.133133 0.065382 0.096381 As\n",
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{
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"created_at": "2022-09-04T14:38:18.561356Z",
"updated_at": "2022-09-04T14:38:18.561407Z",
"structure_string": "Y4 Mg2 S8\n1.0\n0.000000 5.566515 5.566515\n5.566523 -0.000000 5.566515\n5.566523 5.566515 -0.000000\nY Mg S\n4 2 8\ndirect\n0.624999 0.125000 0.625000 Y\n0.624999 0.625000 0.125000 Y\n0.125000 0.625000 0.625000 Y\n0.624999 0.625000 0.625000 Y\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379312 0.379317 0.379317 S\n0.862051 0.379317 0.379317 S\n0.379317 0.862052 0.379312 S\n0.379317 0.379312 0.862052 S\n0.870682 0.870687 0.387948 S\n0.870682 0.387948 0.870687 S\n0.387947 0.870682 0.870682 S\n0.870687 0.870682 0.870682 S\n",
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{
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"structure_string": "Ga8 Bi4 S16\n1.0\n7.526733 -0.000000 -0.000000\n0.000000 7.526733 -0.000000\n0.000000 0.000000 12.179311\nGa Bi S\n8 4 16\ndirect\n0.000000 0.500000 0.250000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.500000 0.750000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.000000 0.869206 Bi\n0.500000 0.500000 0.630794 Bi\n0.500000 0.500000 0.369206 Bi\n0.000000 0.000000 0.130794 Bi\n0.168383 0.658815 0.875223 S\n0.331617 0.841184 0.624777 S\n0.341185 0.831617 0.124777 S\n0.158815 0.331617 0.624777 S\n0.168383 0.341185 0.124777 S\n0.158815 0.668383 0.375223 S\n0.831617 0.658815 0.124777 S\n0.331617 0.158815 0.375223 S\n0.658815 0.831617 0.875223 S\n0.841184 0.668383 0.624777 S\n0.831617 0.341185 0.875223 S\n0.668383 0.841184 0.375223 S\n0.341185 0.168383 0.875223 S\n0.668383 0.158815 0.624777 S\n0.841184 0.331617 0.375223 S\n0.658815 0.168383 0.124777 S\n",
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{
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"structure_string": "K2 Sc1 Cu1 Cl6\n1.0\n6.094370 -0.000000 3.518586\n2.031457 5.745828 3.518586\n-0.000000 -0.000000 7.037173\nK Sc Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.750750 0.249250 0.249251 Cl\n0.249250 0.249250 0.750749 Cl\n0.249251 0.750750 0.750750 Cl\n0.249251 0.750750 0.249251 Cl\n0.750750 0.249250 0.750750 Cl\n0.750750 0.750750 0.249251 Cl\n",
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{
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"structure_string": "Sm4 Cr4 Sb12\n1.0\n6.090274 -0.000000 0.000000\n0.000000 6.249907 0.000000\n0.000000 0.000000 12.948289\nSm Cr Sb\n4 4 12\ndirect\n0.250000 0.506165 0.309162 Sm\n0.749999 0.493835 0.690838 Sm\n0.250000 0.006165 0.690838 Sm\n0.749999 0.993835 0.309162 Sm\n-0.000000 0.750000 0.906029 Cr\n-0.000000 0.250000 0.093971 Cr\n0.500000 0.250000 0.093971 Cr\n0.500000 0.750000 0.906029 Cr\n0.749999 -0.004323 0.775562 Sb\n0.250000 0.004323 0.224438 Sb\n0.749999 0.899866 0.063516 Sb\n0.250000 0.100135 0.936484 Sb\n0.749999 0.399866 0.936484 Sb\n-0.000000 0.250000 0.497894 Sb\n0.500000 0.750000 0.502106 Sb\n0.500000 0.250000 0.497894 Sb\n0.250000 0.504323 0.775562 Sb\n-0.000000 0.750000 0.502106 Sb\n0.250000 0.600135 0.063516 Sb\n0.749999 0.495677 0.224438 Sb\n",
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{
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]
}