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{
"id": "jvasp-36823",
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{
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{
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"created_at": "2022-09-04T14:38:01.744778Z",
"updated_at": "2022-09-04T14:38:01.744794Z",
"structure_string": "Pb2\n1.0\n3.520082 0.000000 -0.000000\n-1.760041 3.048480 0.000000\n0.000000 -0.000000 5.847821\nPb\n2\ndirect\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
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"elements": [
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},
{
"id": "jvasp-78365",
"created_at": "2022-09-04T14:38:01.300234Z",
"updated_at": "2022-09-04T14:38:01.300255Z",
"structure_string": "Pb2\n1.0\n-1.745203 -3.022781 -0.000000\n1.745203 -3.022781 -0.000000\n0.000000 -2.015187 6.181638\nPb\n2\ndirect\n0.090824 0.090824 0.727531 Pb\n0.909177 0.909177 0.272469 Pb\n",
"nsites": 2,
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"elements": [
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"volume": 65.22081166410571,
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"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.06598082,
"spacegroup": 166
},
{
"id": "jvasp-17815",
"created_at": "2022-09-04T14:37:30.537920Z",
"updated_at": "2022-09-04T14:37:30.537956Z",
"structure_string": "Pb2\n1.0\n1.760039 -3.048477 0.000000\n1.760039 3.048477 -0.000000\n-0.000000 0.000000 5.847851\nPb\n2\ndirect\n0.333333 0.666668 0.250000 Pb\n0.666668 0.333333 0.750000 Pb\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-111128",
"created_at": "2022-09-04T14:38:38.311061Z",
"updated_at": "2022-09-04T14:38:38.311075Z",
"structure_string": "Pb2\n1.0\n4.296843 -0.000000 2.480783\n1.432281 4.051102 2.480783\n0.000000 0.000000 4.961567\nPb\n2\ndirect\n0.874999 0.875000 0.875000 Pb\n0.125000 0.125000 0.125000 Pb\n",
"nsites": 2,
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"elements": [
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"volume": 86.36574507359819,
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"spacegroup": 227
},
{
"id": "jvasp-123692",
"created_at": "2022-09-04T14:38:52.871000Z",
"updated_at": "2022-09-04T14:38:52.871016Z",
"structure_string": "Pb1 Se2\n1.0\n2.397684 -3.996667 -0.897470\n2.262376 3.918547 -0.000001\n-1.161625 0.670664 5.756253\nPb Se\n1 2\ndirect\n0.000000 0.333365 0.166667 Pb\n0.811598 0.739117 0.444196 Se\n0.188403 -0.072481 0.889137 Se\n",
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"formula_full": "Pb1 Se2",
"formula_reduced": "PbSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-116390",
"created_at": "2022-09-04T14:38:42.705928Z",
"updated_at": "2022-09-04T14:38:42.705960Z",
"structure_string": "Pb1 Se1 O2\n1.0\n3.609225 -0.000000 -0.000000\n-0.000000 3.609225 0.000000\n-0.000000 0.000000 5.158557\nPb Se O\n1 1 2\ndirect\n0.499999 0.499999 0.519263 Pb\n0.000000 0.000000 0.033821 Se\n0.000000 0.000000 0.393595 O\n0.499999 0.499999 0.063322 O\n",
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"elements": [
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"formula_full": "Pb1 Se1 O2",
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},
{
"id": "jvasp-116389",
"created_at": "2022-09-04T14:38:42.578251Z",
"updated_at": "2022-09-04T14:38:42.578276Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.772374 -0.956011 0.000000\n-3.474368 5.330667 0.000000\n0.000000 0.000000 3.129054\nPb Se O\n1 1 1\ndirect\n-0.107903 0.238257 0.000000 Pb\n0.839901 0.687925 0.000000 Se\n0.268001 0.073818 0.000000 O\n",
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"formula_full": "Pb1 Se1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-116392",
"created_at": "2022-09-04T14:38:41.469916Z",
"updated_at": "2022-09-04T14:38:41.469942Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.794225 0.000000 -0.000000\n-2.397112 4.151920 0.000000\n0.000000 -0.000000 3.176736\nPb Se O\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Pb\n0.666666 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-116391",
"created_at": "2022-09-04T14:38:41.511303Z",
"updated_at": "2022-09-04T14:38:41.511340Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nPb Se O\n1 1 1\ndirect\n0.000000 0.000000 0.265124 Pb\n0.000000 0.000000 0.746168 Se\n0.000000 0.000000 0.014547 O\n",
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},
{
"id": "jvasp-117856",
"created_at": "2022-09-04T14:38:48.437440Z",
"updated_at": "2022-09-04T14:38:48.437467Z",
"structure_string": "Pb1 Se1 Br2\n1.0\n4.630063 0.000000 -0.000000\n0.000000 4.630063 0.000000\n0.000000 -0.000000 5.748728\nPb Se Br\n1 1 2\ndirect\n0.500000 0.500000 0.752351 Pb\n0.000000 0.000000 0.752650 Se\n0.000000 0.000000 0.252753 Br\n0.500000 0.500000 0.252246 Br\n",
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}
]
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