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{
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"elements": [
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{
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"structure_string": "Hg12 S8 Br6 Cl2\n1.0\n4.732128 9.338675 0.000000\n-4.732128 9.338675 0.000000\n0.000000 4.792219 9.448413\nHg S Br Cl\n12 8 6 2\ndirect\n0.157491 0.694424 0.794787 Hg\n0.305576 0.842509 0.205213 Hg\n0.842509 0.305576 0.205213 Hg\n0.694424 0.157491 0.794787 Hg\n0.425703 0.425703 0.225277 Hg\n0.574297 0.574297 0.774723 Hg\n0.282623 0.282623 0.788115 Hg\n0.717377 0.717377 0.211885 Hg\n0.367677 0.894123 0.495427 Hg\n0.105877 0.632323 0.504573 Hg\n0.632323 0.105877 0.504573 Hg\n0.894123 0.367677 0.495427 Hg\n0.176230 0.691100 0.246831 S\n0.691100 0.176230 0.246831 S\n0.823770 0.308900 0.753169 S\n0.952350 0.440301 0.237561 S\n0.559699 0.047650 0.762439 S\n0.047650 0.559699 0.762439 S\n0.440301 0.952350 0.237561 S\n0.308900 0.823770 0.753169 S\n0.251229 0.251229 0.502037 Br\n0.748771 0.748771 0.497963 Br\n0.500000 0.500000 0.500000 Br\n0.619164 0.619164 0.010366 Br\n0.380836 0.380836 0.989634 Br\n0.000000 0.000000 0.500000 Br\n0.125345 0.125345 0.013322 Cl\n0.874655 0.874655 0.986678 Cl\n",
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"formula_full": "Hg12 S8 Br6 Cl2",
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{
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"created_at": "2022-09-04T14:48:14.708548Z",
"structure_string": "Pu2 Te4\n1.0\n4.406504 0.000000 0.000000\n0.000000 4.406504 0.000000\n0.000000 0.000000 8.741928\nPu Te\n2 4\ndirect\n0.000000 0.500000 0.726465 Pu\n0.500000 0.000000 0.273535 Pu\n0.000000 0.500000 0.363347 Te\n0.500000 0.000000 0.636653 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n",
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"elements": [
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"formula_full": "Pu2 Te4",
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"updated_at": "2021-11-28T01:38:44.109000Z",
"spacegroup": 129
},
{
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"created_at": "2022-09-04T14:48:14.801470Z",
"structure_string": "Ta1 Mn2 B4\n1.0\n-1.521457 1.579732 6.453861\n1.521457 -1.579732 6.453861\n1.521457 1.579732 -6.453861\nTa Mn B\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ta\n0.187681 0.187681 0.000000 Mn\n0.812319 0.812319 0.000000 Mn\n0.353240 0.353240 0.000000 B\n0.646760 0.646760 0.000000 B\n0.427300 0.927300 0.500000 B\n0.572700 0.072700 0.500000 B\n",
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"formula_full": "Ta1 Mn2 B4",
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"updated_at": "2021-11-28T01:39:56.482000Z",
"spacegroup": 71
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]
}