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{
"id": "jvasp-18539",
"created_at": "2022-09-04T14:36:58.056898Z",
"updated_at": "2022-09-04T14:36:58.056923Z",
"structure_string": "Sb3 Au1\n1.0\n4.880925 0.000000 -1.725667\n-2.440462 4.227005 -1.725667\n0.000000 0.000000 5.177002\nSb Au\n3 1\ndirect\n0.499999 0.499999 -0.000001 Sb\n-0.000000 0.499999 0.499999 Sb\n0.500000 -0.000000 0.499999 Sb\n0.000000 0.000000 0.000000 Au\n",
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{
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{
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"updated_at": "2022-09-04T14:38:41.677425Z",
"structure_string": "Au1 S2\n1.0\n3.542365 0.000000 0.000000\n0.000000 2.920752 0.000000\n0.000000 0.000000 6.593679\nAu S\n1 2\ndirect\n0.466668 0.000000 0.000000 Au\n-0.033334 0.000000 0.752151 S\n-0.033334 0.000000 0.247850 S\n",
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"elements": [
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"formula_full": "Au1 S2",
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"spacegroup": 47
},
{
"id": "jvasp-116458",
"created_at": "2022-09-04T14:38:41.633176Z",
"updated_at": "2022-09-04T14:38:41.633210Z",
"structure_string": "Au1 S2\n1.0\n5.577427 0.000000 -0.893055\n0.000000 3.091908 0.000000\n-1.043668 0.000000 4.033038\nAu S\n1 2\ndirect\n0.466652 0.000000 0.133342 Au\n-0.191446 0.000000 -0.311278 S\n0.124795 0.000000 0.577937 S\n",
"nsites": 3,
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"elements": [
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"density": 6.503336506715003,
"density_atomic": 0.04499945137151766,
"volume": 66.66747945951283,
"volume_molar": 13.382698180653168,
"formula_full": "Au1 S2",
"formula_reduced": "AuS2",
"formula_anonymous": "AB2",
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"spacegroup": 10
},
{
"id": "jvasp-118950",
"created_at": "2022-09-04T14:38:54.139931Z",
"updated_at": "2022-09-04T14:38:54.139964Z",
"structure_string": "Au2 S1\n1.0\n2.753333 0.000000 0.000000\n0.000000 2.763854 0.000000\n0.000000 0.000000 7.714346\nAu S\n2 1\ndirect\n-0.200023 0.000000 0.672526 Au\n-0.200023 0.000000 0.327474 Au\n0.800046 0.000000 0.000000 S\n",
"nsites": 3,
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"elements": [
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"volume": 58.704710615803926,
"volume_molar": 11.784267686781249,
"formula_full": "Au2 S1",
"formula_reduced": "Au2S",
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"spacegroup": 123
},
{
"id": "jvasp-118952",
"created_at": "2022-09-04T14:38:53.771343Z",
"updated_at": "2022-09-04T14:38:53.771361Z",
"structure_string": "Au2 S1\n1.0\n7.343665 0.000000 3.489007\n0.000000 2.830958 0.000000\n2.436924 0.000000 4.343430\nAu S\n2 1\ndirect\n-0.084644 0.000000 -0.095739 Au\n0.415192 0.000000 -0.095758 Au\n-0.084877 0.000000 0.404551 S\n",
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"elements": [
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"volume": 66.22813912492151,
"volume_molar": 13.29450586943802,
"formula_full": "Au2 S1",
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"spacegroup": 65
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{
"id": "jvasp-116460",
"created_at": "2022-09-04T14:38:49.690060Z",
"updated_at": "2022-09-04T14:38:49.690085Z",
"structure_string": "Au2 S1\n1.0\n4.478273 -0.321596 0.240837\n-2.710197 -4.823571 0.033532\n0.503646 2.561306 -3.651833\nAu S\n2 1\ndirect\n0.142071 0.100289 0.664203 Au\n0.477216 0.772193 0.935718 Au\n0.058939 0.933933 0.048370 S\n",
"nsites": 3,
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"elements": [
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"density": 8.777559485058955,
"density_atomic": 0.03722530268423286,
"volume": 80.59034537469803,
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"formula_full": "Au2 S1",
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},
{
"id": "jvasp-118951",
"created_at": "2022-09-04T14:38:53.839259Z",
"updated_at": "2022-09-04T14:38:53.839282Z",
"structure_string": "Au2 S2\n1.0\n3.716548 -0.081171 -0.293172\n-0.373683 -4.745512 1.402229\n-0.042746 3.461194 -5.737874\nAu S\n2 2\ndirect\n0.221165 0.851535 0.865164 Au\n0.781964 0.341782 0.866594 Au\n0.583839 0.810482 0.365287 S\n0.419303 0.382840 0.366476 S\n",
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"volume": 83.77816222240524,
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"formula_full": "Au2 S2",
"formula_reduced": "AuS",
"formula_anonymous": "AB",
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"spacegroup": 10
},
{
"id": "jvasp-2130",
"created_at": "2022-09-04T14:36:56.870678Z",
"updated_at": "2022-09-04T14:36:56.870707Z",
"structure_string": "Au4 S2\n1.0\n5.300446 0.000000 0.000000\n0.000000 5.300446 0.000000\n0.000000 0.000000 5.300446\nAu S\n4 2\ndirect\n0.250000 0.250000 0.750001 Au\n0.750001 0.250000 0.250000 Au\n0.250000 0.750001 0.250000 Au\n0.750001 0.750001 0.750001 Au\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n",
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},
{
"id": "jvasp-115459",
"created_at": "2022-09-04T14:38:46.372073Z",
"updated_at": "2022-09-04T14:38:46.372093Z",
"structure_string": "Au1 S3\n1.0\n5.259554 -0.069888 0.039107\n-3.888808 -3.224101 -0.077212\n0.988536 -1.863921 -4.888692\nAu S\n1 3\ndirect\n0.061002 0.487454 0.022600 Au\n0.034115 -0.020748 0.968934 S\n0.283086 0.186960 0.545149 S\n0.508627 -0.014642 0.505924 S\n",
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"spacegroup": 8
},
{
"id": "jvasp-115460",
"created_at": "2022-09-04T14:38:46.402809Z",
"updated_at": "2022-09-04T14:38:46.402842Z",
"structure_string": "Au3 S1\n1.0\n4.935631 -0.175617 0.185847\n1.595511 -2.385678 -0.192158\n1.925637 -1.611149 -6.966144\nAu S\n3 1\ndirect\n0.908459 0.059958 0.027340 Au\n0.902732 0.627485 0.466537 Au\n0.421103 0.828494 0.246617 Au\n0.265155 -0.012130 0.743992 S\n",
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},
{
"id": "jvasp-37878",
"created_at": "2022-09-04T14:37:59.176881Z",
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"structure_string": "Au2 S2\n1.0\n1.926727 -3.337189 -0.000000\n1.926727 3.337189 0.000000\n-0.000000 -0.000000 6.929743\nAu S\n2 2\ndirect\n0.333334 0.666668 0.017240 Au\n0.666668 0.333334 0.517240 Au\n0.333334 0.666668 0.357759 S\n0.666668 0.333334 0.857759 S\n",
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}