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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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"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-107010",
"created_at": "2022-09-04T14:36:52.783285Z",
"updated_at": "2022-09-04T14:36:52.783311Z",
"structure_string": "Si1 P1 Au1\n1.0\n3.367714 0.001495 5.131869\n1.534613 2.997743 5.131869\n0.002444 0.001495 6.138206\nSi P Au\n1 1 1\ndirect\n0.271929 0.271930 0.271930 Si\n0.998708 0.998715 0.998716 P\n0.136657 0.136658 0.136658 Au\n",
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"elements": [
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],
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"volume": 61.90278458886409,
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"formula_full": "Si1 P1 Au1",
"formula_reduced": "SiPAu",
"formula_anonymous": "ABC",
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"spacegroup": 160
},
{
"id": "jvasp-19033",
"created_at": "2022-09-04T14:38:10.239449Z",
"updated_at": "2022-09-04T14:38:10.239473Z",
"structure_string": "Sn2 P14 Au6\n1.0\n0.000000 6.388321 -0.007486\n11.143644 0.000000 0.000000\n0.000000 -2.096028 -6.180800\nSn P Au\n2 14 6\ndirect\n0.688874 0.250000 0.961133 Sn\n0.311125 0.750000 0.038867 Sn\n0.719523 0.592529 0.804452 P\n0.280476 0.092529 0.195548 P\n0.834676 0.578390 0.166168 P\n0.165324 0.078390 0.833833 P\n0.165324 0.421610 0.833833 P\n0.719523 0.907470 0.804452 P\n0.834676 0.921610 0.166168 P\n0.201180 0.911496 0.290333 P\n0.798820 0.411496 0.709668 P\n0.798820 0.088504 0.709668 P\n0.201180 0.588503 0.290333 P\n0.736505 0.750000 0.286283 P\n0.263494 0.250000 0.713718 P\n0.280476 0.407470 0.195548 P\n0.069194 0.250000 0.317388 Au\n0.315586 0.599211 0.686215 Au\n0.684414 0.099211 0.313786 Au\n0.684414 0.400789 0.313786 Au\n0.315586 0.900788 0.686215 Au\n0.930806 0.750000 0.682613 Au\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Au-P-Sn",
"density": 6.989701788113623,
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"formula_full": "Sn2 P14 Au6",
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"formula_anonymous": "AB3C7",
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"spacegroup": 11
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{
"id": "jvasp-77392",
"created_at": "2022-09-04T14:38:11.193633Z",
"updated_at": "2022-09-04T14:38:11.193656Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-3.945041 -5.199622 -10.772450\n-3.651644 -2.296303 -1.341298\n-2.346883 1.392894 -3.599700\nSr P Au\n2 1 1\ndirect\n0.782737 -0.043710 -0.043709 Sr\n0.217263 0.043710 0.043709 Sr\n-0.000000 -0.000000 -0.000000 P\n0.500000 -0.000000 0.000000 Au\n",
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"formula_full": "Sr2 P1 Au1",
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"spacegroup": 166
},
{
"id": "jvasp-82049",
"created_at": "2022-09-04T14:37:18.656412Z",
"updated_at": "2022-09-04T14:37:18.656436Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-12.258548 4.327717 -0.010322\n-8.684670 1.440169 2.649416\n-7.151306 5.777160 -0.006442\nSr P Au\n2 1 1\ndirect\n0.750076 -0.000026 -0.000026 Sr\n0.249923 0.000027 0.000027 Sr\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 0.000000 Au\n",
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"formula_full": "Sr2 P1 Au1",
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"spacegroup": 225
},
{
"id": "jvasp-100292",
"created_at": "2022-09-04T14:36:36.713359Z",
"updated_at": "2022-09-04T14:36:36.713386Z",
"structure_string": "Sr2 P2 Au2\n1.0\n4.379274 0.000000 -0.000000\n-2.189637 3.792563 0.000000\n0.000000 -0.000000 8.440107\nSr P Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.250000 P\n0.666666 0.333333 0.750000 P\n0.333332 0.666667 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
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"volume": 140.17897335933296,
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"formula_full": "Sr2 P2 Au2",
"formula_reduced": "SrPAu",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-42020",
"created_at": "2022-09-04T14:37:32.399586Z",
"updated_at": "2022-09-04T14:37:32.399610Z",
"structure_string": "Sr2 Pt1 Au1\n1.0\n0.000000 3.735308 3.735308\n3.735308 -0.000000 3.735308\n3.735308 3.735308 0.000000\nSr Pt Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 Sr\n0.750000 0.750000 0.750000 Pt\n0.249999 0.249999 0.249999 Au\n",
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},
{
"id": "jvasp-104928",
"created_at": "2022-09-04T14:36:58.547538Z",
"updated_at": "2022-09-04T14:36:58.547565Z",
"structure_string": "Sr2 Pt1 Au1\n1.0\n6.069722 -0.054946 0.000000\n-4.570356 3.994545 0.000000\n-0.000000 -0.000000 4.629682\nSr Pt Au\n2 1 1\ndirect\n0.139333 0.860664 0.500000 Sr\n0.861792 0.138205 -0.000000 Sr\n0.420076 0.579922 0.500000 Pt\n0.578793 0.421205 -0.000000 Au\n",
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},
{
"id": "jvasp-110972",
"created_at": "2022-09-04T14:38:38.365813Z",
"updated_at": "2022-09-04T14:38:38.365839Z",
"structure_string": "Ti6 Pt1 Au1\n1.0\n5.058959 -0.000000 0.000000\n0.000000 5.058959 0.000000\n-0.000000 -0.000000 5.058959\nTi Pt Au\n6 1 1\ndirect\n-0.000000 0.500000 0.753038 Ti\n0.500000 0.246962 -0.000000 Ti\n0.753038 0.000000 0.500000 Ti\n-0.000000 0.500000 0.246962 Ti\n0.500000 0.753038 -0.000000 Ti\n0.246962 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:36:41.421934Z",
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"structure_string": "U1 Pt2 Au3\n1.0\n4.728749 -0.013395 -2.656676\n-1.598387 4.419035 -2.708591\n0.014136 0.013395 5.423910\nU Pt Au\n1 2 3\ndirect\n0.009303 0.009303 0.000000 U\n0.622647 0.373160 0.249488 Pt\n0.123671 0.373159 0.750512 Pt\n0.622936 0.373877 0.750941 Au\n0.622936 0.871997 0.249059 Au\n0.248508 0.748508 0.500000 Au\n",
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{
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"structure_string": "U1 Pt4 Au1\n1.0\n0.000000 3.770216 3.770216\n3.770216 0.000000 3.770216\n3.770216 3.770216 -0.000000\nU Pt Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 U\n0.624621 0.624621 0.126141 Pt\n0.126141 0.624621 0.624621 Pt\n0.624621 0.126141 0.624621 Pt\n0.624621 0.624621 0.624621 Pt\n0.250000 0.250000 0.250000 Au\n",
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