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{
"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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{
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{
"id": "jvasp-102319",
"created_at": "2022-09-04T14:36:46.642358Z",
"updated_at": "2022-09-04T14:36:46.642382Z",
"structure_string": "Tl1 Pb1\n1.0\n3.379616 -0.004314 5.057065\n1.531072 3.012912 5.057065\n-0.007042 -0.004314 6.082406\nTl Pb\n1 1\ndirect\n0.500000 0.500001 0.500000 Tl\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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"spacegroup": 166
},
{
"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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"elements": [
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"chemical_system": "I-Pb-Tl",
"density": 6.353180865561171,
"density_atomic": 0.024144836761577464,
"volume": 414.16722335904774,
"volume_molar": 24.94173317246545,
"formula_full": "Tl2 Pb2 I6",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-41418",
"created_at": "2022-09-04T14:38:09.722142Z",
"updated_at": "2022-09-04T14:38:09.722165Z",
"structure_string": "Tl1 Pd2 Au1\n1.0\n0.000000 3.285289 3.285289\n3.285289 -0.000000 3.285289\n3.285289 3.285289 -0.000000\nTl Pd Au\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"density": 14.381394896259117,
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"formula_full": "Tl1 Pd2 Au1",
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{
"id": "jvasp-4519",
"created_at": "2022-09-04T14:36:36.319053Z",
"updated_at": "2022-09-04T14:36:36.319075Z",
"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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"volume": 280.74736741312296,
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"formula_full": "Tl2 Pd4 Se6",
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"spacegroup": 164
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{
"id": "jvasp-56312",
"created_at": "2022-09-04T14:36:46.722579Z",
"updated_at": "2022-09-04T14:36:46.722610Z",
"structure_string": "Tl1 Pd3\n1.0\n4.081795 0.000000 0.000000\n0.000000 4.081795 -0.000000\n-0.000000 -0.000000 4.080490\nTl Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.000000 0.500000 Pd\n0.000000 0.500001 0.500000 Pd\n0.500001 0.500001 0.000000 Pd\n",
"nsites": 4,
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"volume": 67.98524963656878,
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"spacegroup": 221
},
{
"id": "jvasp-90556",
"created_at": "2022-09-04T14:36:13.646114Z",
"updated_at": "2022-09-04T14:36:13.646140Z",
"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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"formula_full": "Tl2 Pd6",
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},
{
"id": "jvasp-54851",
"created_at": "2022-09-04T14:37:49.006781Z",
"updated_at": "2022-09-04T14:37:49.006814Z",
"structure_string": "Tl1 Pd3\n1.0\n3.955105 0.000000 -1.440552\n-0.524687 3.920149 -1.440552\n-0.495919 -0.566716 4.788173\nTl Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000001 Pd\n0.250000 0.750000 0.500000 Pd\n0.750001 0.250000 0.500000 Pd\n",
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},
{
"id": "jvasp-9719",
"created_at": "2022-09-04T14:37:16.406312Z",
"updated_at": "2022-09-04T14:37:16.406346Z",
"structure_string": "Tl2 Pd6 O8\n1.0\n5.935938 -0.000000 3.427115\n1.978646 5.596456 3.427115\n0.000000 -0.000000 6.854231\nTl Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.857624 0.857624 0.857624 O\n0.142377 0.142377 0.572870 O\n0.142377 0.572871 0.142377 O\n0.572871 0.142377 0.142377 O\n0.857624 0.427130 0.857624 O\n0.427130 0.857624 0.857624 O\n0.142377 0.142377 0.142377 O\n0.857624 0.857624 0.427130 O\n",
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{
"id": "jvasp-35433",
"created_at": "2022-09-04T14:37:40.604391Z",
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"structure_string": "Tl1 Pd5 Se1\n1.0\n4.090218 0.000000 -0.000000\n0.000000 4.090218 -0.000000\n-0.000000 -0.000000 7.245192\nTl Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.283830 Pd\n0.000000 0.500000 0.716170 Pd\n0.500000 0.000000 0.283830 Pd\n0.500000 0.000000 0.716170 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
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{
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"created_at": "2022-09-04T14:38:42.836647Z",
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"structure_string": "Tl1 Pd1 Cl1\n1.0\n5.029059 0.000000 0.000000\n-2.514530 4.355293 -0.000000\n-0.000000 0.000000 3.277884\nTl Pd Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Tl\n0.333333 0.666666 0.000000 Pd\n0.000000 0.000000 0.000000 Cl\n",
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}