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{
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"created_at": "2022-09-04T14:37:51.747270Z",
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"structure_string": "K12 Al4 Te12\n1.0\n8.616892 -0.032006 0.000000\n-1.771736 8.900650 0.000000\n0.000000 0.000000 13.628248\nK Al Te\n12 4 12\ndirect\n0.733878 0.396294 0.904701 K\n0.293036 0.416771 0.815982 K\n0.233878 0.896294 0.595299 K\n0.766122 0.103705 0.404701 K\n0.793036 0.916771 0.684018 K\n0.206964 0.083228 0.315982 K\n0.706963 0.583228 0.184017 K\n0.266122 0.603705 0.095299 K\n0.157459 0.523595 0.383897 K\n0.342540 0.976404 0.883898 K\n0.842540 0.476404 0.616103 K\n0.657459 0.023595 0.116103 K\n0.900351 0.836106 0.935459 Al\n0.400351 0.336106 0.564541 Al\n0.599648 0.663894 0.435459 Al\n0.099648 0.163894 0.064541 Al\n0.096139 0.231459 0.557718 Te\n0.467736 0.631473 0.613702 Te\n0.032263 0.868527 0.113701 Te\n0.532263 0.368527 0.386299 Te\n0.967736 0.131472 0.886299 Te\n0.457295 0.816653 0.312997 Te\n0.042704 0.683347 0.812997 Te\n0.542705 0.183346 0.687003 Te\n0.957295 0.316653 0.187003 Te\n0.903861 0.768541 0.442282 Te\n0.596138 0.731459 0.942283 Te\n0.403861 0.268541 0.057718 Te\n",
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{
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{
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"created_at": "2022-09-04T14:38:34.050350Z",
"updated_at": "2022-09-04T14:38:34.050371Z",
"structure_string": "K4 Pt2 I12\n1.0\n7.516536 0.000000 0.000000\n-0.000000 7.516536 -0.000000\n0.000000 -0.000000 11.884024\nK Pt I\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.728355 I\n0.000000 0.000000 0.771644 I\n0.500000 0.500000 0.271644 I\n0.000000 0.000000 0.228355 I\n0.195717 0.303498 0.500000 I\n0.303498 0.804283 0.500000 I\n0.304283 0.803499 0.000000 I\n0.803499 0.695718 0.000000 I\n0.696502 0.195717 0.500000 I\n0.695718 0.196502 0.000000 I\n0.804283 0.696502 0.500000 I\n0.196502 0.304283 0.000000 I\n",
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"formula_full": "K4 Pt2 I12",
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"spacegroup": 128
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{
"id": "jvasp-109924",
"created_at": "2022-09-04T14:38:19.320506Z",
"updated_at": "2022-09-04T14:38:19.320533Z",
"structure_string": "Ba1 Pm3\n1.0\n4.882636 0.058785 -4.251447\n-0.974186 4.784826 -4.251447\n-0.047436 -0.058785 6.474001\nBa Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Pm\n0.249999 0.750000 0.499999 Pm\n0.500000 0.500001 0.000000 Pm\n",
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{
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"created_at": "2022-09-04T14:38:53.952900Z",
"updated_at": "2022-09-04T14:38:53.952947Z",
"structure_string": "Sn7 Pb1\n1.0\n6.682178 0.000000 -0.000000\n0.000000 6.682178 -0.000000\n0.000000 -0.000000 6.682178\nSn Pb\n7 1\ndirect\n0.253278 0.253278 0.753279 Sn\n0.000000 0.500000 0.000000 Sn\n0.253278 0.746722 0.246722 Sn\n0.500000 0.000000 0.000000 Sn\n0.746722 0.253278 0.246722 Sn\n0.500000 0.500000 0.500000 Sn\n0.746722 0.746722 0.753279 Sn\n0.000000 0.000000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:11.911192Z",
"updated_at": "2022-09-04T14:36:11.911213Z",
"structure_string": "Ba2 Nb1 Te1\n1.0\n-0.000000 4.209328 4.209328\n4.209328 -0.000000 4.209328\n4.209328 4.209328 0.000000\nBa Nb Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-30935",
"created_at": "2022-09-04T14:38:31.726175Z",
"updated_at": "2022-09-04T14:38:31.726192Z",
"structure_string": "Sr8 Bi6\n1.0\n8.283417 0.000000 -2.928630\n-4.141708 7.173649 -2.928630\n-0.000000 -0.000000 8.785890\nSr Bi\n8 6\ndirect\n0.645881 0.645881 0.645881 Sr\n0.354120 0.500000 0.000000 Sr\n0.500000 0.000000 0.354120 Sr\n-0.000000 0.354120 0.500000 Sr\n0.500000 0.000000 0.854120 Sr\n-0.000000 0.854120 0.500000 Sr\n0.145880 0.145880 0.145880 Sr\n0.854120 0.500000 0.000000 Sr\n0.750000 0.875000 0.125000 Bi\n0.625000 0.375000 0.250000 Bi\n0.875000 0.125000 0.750000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n0.250000 0.625000 0.375000 Bi\n",
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"elements": [
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"density": 6.217638067424463,
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"volume": 522.0780204710009,
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{
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"created_at": "2022-09-04T14:37:10.550776Z",
"updated_at": "2022-09-04T14:37:10.550794Z",
"structure_string": "Rb1 B1\n1.0\n-3.340906 -3.340906 0.000000\n-3.340906 -0.000000 -3.340906\n0.000000 -3.340906 -3.340906\nRb B\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 B\n",
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{
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"created_at": "2022-09-04T14:37:33.601306Z",
"updated_at": "2022-09-04T14:37:33.601326Z",
"structure_string": "Ca3 Sb1 As1\n1.0\n5.712662 0.000000 0.000000\n-0.000000 5.712662 0.000000\n0.000000 -0.000000 5.712662\nCa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n",
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{
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"structure_string": "Na1 Ca2 Al1\n1.0\n-11.680906 -0.000000 -6.743975\n-7.611074 0.291337 -0.305182\n-6.567998 3.241603 -2.111843\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.727423 0.000001 -0.000000 Ca\n0.272576 0.000000 -0.000000 Ca\n0.500000 0.000001 -0.000000 Al\n",
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{
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"created_at": "2022-09-04T14:38:27.669731Z",
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"structure_string": "K2 Ba1 Sn1 Te4\n1.0\n6.883210 0.023392 -2.400955\n-3.465888 5.946995 -2.400955\n-0.013389 -0.023392 7.289924\nK Ba Sn Te\n2 1 1 4\ndirect\n0.500000 -0.000000 0.499999 K\n-0.000000 0.500000 0.499999 K\n0.500000 0.499999 -0.000001 Ba\n0.000000 0.000000 0.000000 Sn\n0.388505 0.388505 0.389859 Te\n-0.001354 -0.001354 0.610140 Te\n0.611494 0.001354 -0.000000 Te\n0.001354 0.611494 -0.000001 Te\n",
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{
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"structure_string": "Na3 Ca1\n1.0\n5.302777 -0.000000 0.000000\n0.000000 5.302777 0.000000\n0.000000 0.000000 5.302777\nNa Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Ca\n",
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}