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{
"id": "jvasp-90556",
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"structure_string": "Tl2 Pd6\n1.0\n4.174769 -0.000000 0.000000\n-0.000000 4.174769 0.000000\n-2.087385 -2.087385 7.781401\nTl Pd\n2 6\ndirect\n0.874593 0.874593 0.749185 Tl\n0.125408 0.125408 0.250815 Tl\n0.500000 -0.000000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.250001 0.750001 0.500000 Pd\n0.750001 0.250001 0.500000 Pd\n0.625499 0.625499 0.250998 Pd\n0.374502 0.374502 0.749002 Pd\n",
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{
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"structure_string": "Tl2 Pd4 Se6\n1.0\n3.743343 -6.483659 0.000000\n3.743343 6.483659 0.000000\n0.000000 0.000000 5.783702\nTl Pd Se\n2 4 6\ndirect\n0.666667 0.333333 0.355039 Tl\n0.333333 0.666667 0.644960 Tl\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.830928 0.169071 0.776723 Se\n0.338143 0.169071 0.776723 Se\n0.830928 0.661856 0.776723 Se\n0.169071 0.338143 0.223276 Se\n0.169071 0.830928 0.223276 Se\n0.661856 0.830928 0.223276 Se\n",
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{
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"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
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"formula_full": "Tl2 Pd3 S2",
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},
{
"id": "jvasp-107511",
"created_at": "2022-09-04T14:36:54.915880Z",
"updated_at": "2022-09-04T14:36:54.915889Z",
"structure_string": "Tl2 Pd2 Pb2\n1.0\n5.596201 -0.060652 4.062040\n3.300404 4.486831 1.596912\n0.026260 -0.052014 5.658952\nTl Pd Pb\n2 2 2\ndirect\n0.333771 0.666228 0.333772 Tl\n0.666227 0.333773 0.666228 Tl\n0.749999 0.750001 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.162109 0.162110 0.837891 Pb\n0.837890 0.837891 0.162109 Pb\n",
"nsites": 6,
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"volume": 142.5109518763626,
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"formula_full": "Tl2 Pd2 Pb2",
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{
"id": "jvasp-4110",
"created_at": "2022-09-04T14:36:46.163029Z",
"updated_at": "2022-09-04T14:36:46.163055Z",
"structure_string": "Tl2 Pd1 Cl4\n1.0\n7.096092 0.000000 0.000000\n0.000000 7.096092 0.000000\n0.000000 0.000000 4.223999\nTl Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.767670 0.767670 0.000000 Cl\n0.767670 0.232330 0.000000 Cl\n0.232330 0.767670 0.000000 Cl\n0.232330 0.232330 0.000000 Cl\n",
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"spacegroup": 123
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{
"id": "jvasp-12778",
"created_at": "2022-09-04T14:38:11.302675Z",
"updated_at": "2022-09-04T14:38:11.302712Z",
"structure_string": "Tl2 Pb2 I6\n1.0\n4.638790 0.000000 0.000000\n-2.319395 7.505669 0.000000\n0.000000 -0.000000 11.895470\nTl Pb I\n2 2 6\ndirect\n0.247727 0.495456 0.750000 Tl\n0.752271 0.504544 0.250000 Tl\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.079917 0.159833 0.250000 I\n0.920082 0.840167 0.750000 I\n0.644368 0.288737 0.557896 I\n0.355631 0.711263 0.442104 I\n0.644368 0.288737 0.942104 I\n0.355631 0.711263 0.057896 I\n",
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"spacegroup": 63
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{
"id": "jvasp-10227",
"created_at": "2022-09-04T14:38:08.398985Z",
"updated_at": "2022-09-04T14:38:08.399014Z",
"structure_string": "Tl2 P2 S6\n1.0\n6.000386 0.000000 3.443127\n2.601487 5.970392 2.416395\n0.002141 0.031957 6.946313\nTl P S\n2 2 6\ndirect\n-0.000000 0.263459 0.736541 Tl\n0.000000 0.736541 0.263458 Tl\n0.663887 0.336114 0.336113 P\n0.336114 0.663886 0.663885 P\n0.534161 0.221142 0.221142 S\n0.976446 0.778858 0.778857 S\n0.500000 0.301331 0.698668 S\n0.500001 0.698669 0.301330 S\n0.465840 0.778858 0.778857 S\n0.023555 0.221142 0.221142 S\n",
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"elements": [
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"volume": 248.62815813983093,
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"spacegroup": 71
},
{
"id": "jvasp-86229",
"created_at": "2022-09-04T14:36:17.648647Z",
"updated_at": "2022-09-04T14:36:17.648671Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.458711 0.021447 -3.005196\n-3.883328 5.970670 -0.132130\n0.014311 -0.006659 8.347047\nTl P Au Se\n2 2 2 6\ndirect\n0.943249 0.285504 0.228752 Tl\n0.056750 0.714497 0.771248 Tl\n0.621613 0.030925 0.652539 P\n0.378386 0.969075 0.347461 P\n0.760394 0.760394 -0.000000 Au\n0.239606 0.239606 -0.000000 Au\n0.422924 0.764141 0.187065 Se\n0.518538 0.322455 0.327267 Se\n0.577075 0.235860 0.812935 Se\n0.481461 0.677545 0.672733 Se\n0.004812 0.808730 0.327267 Se\n0.995188 0.191271 0.672733 Se\n",
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{
"id": "jvasp-86831",
"created_at": "2022-09-04T14:36:17.440713Z",
"updated_at": "2022-09-04T14:36:17.440735Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.457071 0.021304 -3.006107\n-3.881908 5.970305 -0.130952\n0.013797 -0.005308 8.348496\nTl P Au Se\n2 2 2 6\ndirect\n0.943195 0.285592 0.228788 Tl\n0.056804 0.714407 0.771212 Tl\n0.621676 0.030827 0.652504 P\n0.378324 0.969173 0.347497 P\n0.760275 0.760275 -0.000000 Au\n0.239725 0.239725 -0.000000 Au\n0.422825 0.764265 0.187090 Se\n0.518455 0.322601 0.327319 Se\n0.577175 0.235735 0.812910 Se\n0.481545 0.677398 0.672682 Se\n0.004717 0.808864 0.327319 Se\n0.995283 0.191136 0.672681 Se\n",
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{
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"created_at": "2022-09-04T14:37:11.233375Z",
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"structure_string": "Tl2 Ni3 S2\n1.0\n4.825805 -0.011051 2.935257\n1.644832 4.536852 2.935257\n-0.015800 -0.011051 5.648352\nTl Ni S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Tl\n-0.000000 0.500000 0.500000 Ni\n0.499999 0.500000 0.000001 Ni\n0.499999 0.000000 0.500000 Ni\n0.772594 0.772595 0.772596 S\n0.227405 0.227405 0.227405 S\n",
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{
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"created_at": "2022-09-04T14:37:58.155831Z",
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"structure_string": "Tl2 Ni2 O6\n1.0\n4.671330 0.026739 2.638308\n1.552338 4.405938 2.638308\n0.037543 0.026739 5.364754\nTl Ni O\n2 2 6\ndirect\n0.267677 0.267679 0.267677 Tl\n0.767678 0.767678 0.767677 Tl\n0.007349 0.007349 0.007350 Ni\n0.507348 0.507350 0.507348 Ni\n0.242687 0.847008 0.663779 O\n0.847008 0.663778 0.242689 O\n0.663777 0.242691 0.847006 O\n0.163778 0.347009 0.742687 O\n0.742688 0.163778 0.347005 O\n0.347007 0.742689 0.163778 O\n",
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{
"id": "jvasp-110487",
"created_at": "2022-09-04T14:38:37.360861Z",
"updated_at": "2022-09-04T14:38:37.360876Z",
"structure_string": "Tl2 Ni2 Cl6\n1.0\n6.825036 -0.000000 0.000000\n-3.412517 5.910654 -0.000000\n-0.000000 0.000000 5.841697\nTl Ni Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.161022 0.322044 0.250000 Cl\n0.838977 0.677955 0.750000 Cl\n0.677956 0.838977 0.250000 Cl\n0.322044 0.161022 0.750000 Cl\n0.161022 0.838977 0.250000 Cl\n0.838978 0.161022 0.750000 Cl\n",
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