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{
"id": "jvasp-117119",
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"updated_at": "2022-09-04T14:38:50.654228Z",
"structure_string": "Sr12 Hg4\n1.0\n7.378806 -0.000000 0.000000\n0.000000 8.472345 0.000000\n-0.000000 -0.000000 10.881500\nSr Hg\n12 4\ndirect\n0.337666 0.679260 0.062078 Sr\n0.162334 0.179260 0.437922 Sr\n0.662334 0.320740 0.562078 Sr\n0.837666 0.820741 0.937922 Sr\n0.662334 0.320740 0.937922 Sr\n0.837666 0.820741 0.562078 Sr\n0.337666 0.679260 0.437922 Sr\n0.162334 0.179260 0.062078 Sr\n0.863037 0.530972 0.250000 Sr\n0.636963 0.030972 0.250000 Sr\n0.136963 0.469028 0.750000 Sr\n0.363037 0.969028 0.750000 Sr\n0.052909 0.881363 0.250000 Hg\n0.447091 0.381362 0.250000 Hg\n0.947092 0.118638 0.750000 Hg\n0.552909 0.618638 0.750000 Hg\n",
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{
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"structure_string": "Hf1 O2\n1.0\n4.040260 0.000000 0.016248\n0.000000 3.319642 0.000000\n-0.015496 0.000000 3.726952\nHf O\n1 2\ndirect\n0.590396 0.000000 -0.033358 Hf\n-0.303628 0.000000 -0.533354 O\n0.113232 0.000000 -0.033286 O\n",
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{
"id": "jvasp-118949",
"created_at": "2022-09-04T14:38:53.048192Z",
"updated_at": "2022-09-04T14:38:53.048228Z",
"structure_string": "Au1 S2\n1.0\n5.737592 0.861900 0.874635\n2.248774 -3.532328 0.197389\n0.198709 -2.378554 -2.947406\nAu S\n1 2\ndirect\n0.054380 0.100996 0.510745 Au\n0.378579 0.599954 0.429635 S\n0.730171 0.602049 0.591842 S\n",
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{
"id": "jvasp-123716",
"created_at": "2022-09-04T14:38:53.056918Z",
"updated_at": "2022-09-04T14:38:53.056942Z",
"structure_string": "Th1 Se2\n1.0\n2.167546 -3.754440 -0.006592\n2.167669 3.754511 0.000000\n0.008927 -0.005154 6.169523\nTh Se\n1 2\ndirect\n0.000000 0.333319 0.166667 Th\n0.666674 0.666679 0.414097 Se\n0.333327 0.000005 0.919236 Se\n",
"nsites": 3,
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"elements": [
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"density": 6.448433443889253,
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"formula_full": "Th1 Se2",
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{
"id": "jvasp-104737",
"created_at": "2022-09-04T14:38:47.771482Z",
"updated_at": "2022-09-04T14:38:47.771515Z",
"structure_string": "Hg1 Pb3\n1.0\n3.628746 0.000000 -0.000000\n0.000000 3.628746 -0.000000\n-0.000000 0.000000 9.090867\nHg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.238015 Pb\n0.500001 0.500001 0.761985 Pb\n0.000000 -0.000000 0.500000 Pb\n",
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"elements": [
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"density": 11.40519837408121,
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"volume": 119.70669605103112,
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},
{
"id": "jvasp-119150",
"created_at": "2022-09-04T14:38:51.403035Z",
"updated_at": "2022-09-04T14:38:51.403064Z",
"structure_string": "Sb6 O13\n1.0\n6.358777 0.000012 -3.729504\n-2.076970 5.993909 -3.755330\n0.008126 -0.000012 7.371783\nSb O\n6 13\ndirect\n0.247439 0.999636 0.247802 Sb\n0.751835 0.999636 0.752199 Sb\n0.746701 0.996211 0.249511 Sb\n0.746701 0.497190 0.750490 Sb\n0.252455 0.515605 0.263151 Sb\n0.252455 0.989304 0.736850 Sb\n0.654375 0.059333 0.981158 O\n0.654374 0.673216 0.595040 O\n0.078176 0.059333 0.404961 O\n0.676738 0.676738 0.000000 O\n0.069322 0.069322 0.000000 O\n0.839062 0.324890 0.908941 O\n0.839061 0.930121 0.514171 O\n0.078176 0.673216 0.018843 O\n0.415950 0.930121 0.091060 O\n0.816048 0.316047 0.500001 O\n0.426653 0.926652 0.500000 O\n0.415950 0.324890 0.485830 O\n0.163541 0.663540 0.500000 O\n",
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"density": 5.543331626877027,
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"volume": 281.1490812829824,
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"formula_full": "Sb6 O13",
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"spacegroup": 44
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{
"id": "jvasp-118107",
"created_at": "2022-09-04T14:38:50.649944Z",
"updated_at": "2022-09-04T14:38:50.649968Z",
"structure_string": "Cl2 O2\n1.0\n3.045859 0.000000 0.000000\n0.000000 3.045859 -0.000000\n0.000000 0.000000 6.504727\nCl O\n2 2\ndirect\n0.000000 0.000000 0.250000 Cl\n0.500000 0.500000 0.750001 Cl\n0.000000 0.000000 0.749994 O\n0.500000 0.500000 0.250007 O\n",
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"elements": [
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"density": 2.831627140721389,
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"volume": 60.34602440529184,
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"spacegroup": 139
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{
"id": "jvasp-123560",
"created_at": "2022-09-04T14:38:54.597600Z",
"updated_at": "2022-09-04T14:38:54.597628Z",
"structure_string": "Ca1 P3\n1.0\n3.217010 -0.000000 -1.030127\n-0.075024 4.446344 -0.234294\n0.063997 -0.322795 5.738163\nCa P\n1 3\ndirect\n0.342187 -0.022927 0.684374 Ca\n0.619768 0.092626 0.239534 P\n0.117716 0.430998 0.235430 P\n0.920331 0.499299 0.840661 P\n",
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"volume": 82.10317913149353,
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"formula_full": "Ca1 P3",
"formula_reduced": "CaP3",
"formula_anonymous": "AB3",
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"spacegroup": 8
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{
"id": "jvasp-123568",
"created_at": "2022-09-04T14:38:54.927577Z",
"updated_at": "2022-09-04T14:38:54.927607Z",
"structure_string": "Dy1 P3\n1.0\n3.495459 -0.000000 -1.119290\n-0.040506 4.007901 -0.126496\n-0.146096 -0.195480 5.561424\nDy P\n1 3\ndirect\n0.339329 -0.019202 0.678659 Dy\n0.621466 0.075093 0.242932 P\n0.123767 0.447858 0.247534 P\n0.915435 0.496250 0.830873 P\n",
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"volume": 77.16182801843668,
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"spacegroup": 8
},
{
"id": "jvasp-123184",
"created_at": "2022-09-04T14:38:55.515784Z",
"updated_at": "2022-09-04T14:38:55.515812Z",
"structure_string": "Er3 B1\n1.0\n3.527111 0.000000 0.000000\n-1.763556 3.054568 0.000000\n-0.000000 -0.000000 9.132226\nEr B\n3 1\ndirect\n0.333333 0.666667 0.171561 Er\n0.000000 0.000000 0.500000 Er\n0.666666 0.333334 0.828440 Er\n0.000000 0.000000 0.000000 B\n",
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{
"id": "jvasp-120279",
"created_at": "2022-09-04T14:38:53.539997Z",
"updated_at": "2022-09-04T14:38:53.540026Z",
"structure_string": "Li2 Cu2\n1.0\n4.434181 -0.814011 -0.436061\n-0.137610 -4.593445 0.581304\n-1.014539 -0.300640 -2.337664\nLi Cu\n2 2\ndirect\n0.981585 0.005059 -0.024360 Li\n0.514656 0.727186 0.739540 Li\n0.010544 0.485751 0.487882 Cu\n0.485485 0.246574 0.227157 Cu\n",
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{
"id": "jvasp-113634",
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"updated_at": "2022-09-04T14:38:50.613388Z",
"structure_string": "Ge1 H3\n1.0\n4.422491 -0.538467 -0.689214\n-2.597152 -3.702896 0.228291\n-0.444220 -1.101356 -2.720314\nGe H\n1 3\ndirect\n0.201884 0.699435 0.175154 Ge\n0.212291 0.052651 0.848363 H\n0.865231 0.349702 0.232620 H\n0.527646 0.697457 0.009014 H\n",
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