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{
"id": "jvasp-35438",
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"updated_at": "2022-09-04T14:37:47.214853Z",
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{
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"spacegroup": 15
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{
"id": "jvasp-7790",
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"updated_at": "2022-09-04T14:37:05.527405Z",
"structure_string": "Zn1 Pd1 F6\n1.0\n4.414196 0.010922 3.141506\n1.625995 4.103826 3.141506\n0.016032 0.010922 5.417927\nZn Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Zn\n0.000000 0.000000 0.000000 Pd\n0.398506 0.087119 0.759839 F\n0.087118 0.759839 0.398507 F\n0.240161 0.601494 0.912882 F\n0.912881 0.240161 0.601496 F\n0.601493 0.912881 0.240163 F\n0.759838 0.398506 0.087120 F\n",
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"density_atomic": 0.08184291825520477,
"volume": 97.74822514336776,
"volume_molar": 7.358169635669148,
"formula_full": "Zn1 Pd1 F6",
"formula_reduced": "ZnPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-35414",
"created_at": "2022-09-04T14:37:35.641443Z",
"updated_at": "2022-09-04T14:37:35.641468Z",
"structure_string": "Zn1 Pd5 Se1\n1.0\n3.981270 0.000000 0.000000\n0.000000 3.981270 0.000000\n0.000000 -0.000000 7.103118\nZn Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.270010 Pd\n0.000000 0.500000 0.729990 Pd\n0.500000 0.000000 0.270010 Pd\n0.500000 0.000000 0.729990 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 7,
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"elements": [
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"Se"
],
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"density": 9.977108717756577,
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"volume": 112.58804866430462,
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"formula_full": "Zn1 Pd5 Se1",
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"spacegroup": 123
},
{
"id": "jvasp-41548",
"created_at": "2022-09-04T14:37:44.402705Z",
"updated_at": "2022-09-04T14:37:44.402723Z",
"structure_string": "Zn1 Pd3\n1.0\n-1.974518 1.974518 3.836495\n1.974518 -1.974518 3.836495\n1.974518 1.974518 -3.836495\nZn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.249999 0.500002 Pd\n0.249999 0.750000 0.500002 Pd\n0.499998 0.499998 0.000000 Pd\n",
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"spacegroup": 139
},
{
"id": "jvasp-105883",
"created_at": "2022-09-04T14:35:41.076362Z",
"updated_at": "2022-09-04T14:35:41.076387Z",
"structure_string": "Zn1 Pd3\n1.0\n3.909259 0.000000 0.000000\n0.000000 3.909259 0.000000\n-0.000000 0.000000 3.909259\nZn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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},
{
"id": "jvasp-38781",
"created_at": "2022-09-04T14:37:46.147544Z",
"updated_at": "2022-09-04T14:37:46.147559Z",
"structure_string": "Zn1 Pd2 Au1\n1.0\n0.000000 3.155557 3.155557\n3.155557 -0.000000 3.155557\n3.155557 3.155557 0.000000\nZn Pd Au\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zn\n0.000000 0.000000 0.000000 Pd\n0.500002 0.500002 0.500002 Pd\n0.249999 0.249999 0.249999 Au\n",
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"volume": 62.84316997490918,
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"formula_full": "Zn1 Pd2 Au1",
"formula_reduced": "ZnPd2Au",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-100318",
"created_at": "2022-09-04T14:36:32.526814Z",
"updated_at": "2022-09-04T14:36:32.526829Z",
"structure_string": "Zn2 Pd4\n1.0\n2.909936 0.000000 0.000000\n0.000000 2.909936 -0.000000\n0.000000 -0.000000 10.422451\nZn Pd\n2 4\ndirect\n0.500001 0.500001 0.336457 Zn\n0.500001 0.500001 0.663542 Zn\n0.000000 0.000000 0.816819 Pd\n0.000000 0.000000 0.183181 Pd\n0.000000 0.000000 0.500000 Pd\n0.500001 0.500001 0.000000 Pd\n",
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},
{
"id": "jvasp-19794",
"created_at": "2022-09-04T14:38:06.253488Z",
"updated_at": "2022-09-04T14:38:06.253521Z",
"structure_string": "Zn2 Pd2\n1.0\n3.426949 0.000000 -0.000000\n0.000000 4.105210 0.000000\n0.000000 0.000000 4.105210\nZn Pd\n2 2\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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},
{
"id": "jvasp-108954",
"created_at": "2022-09-04T14:38:16.981670Z",
"updated_at": "2022-09-04T14:38:16.981685Z",
"structure_string": "Zn2 Pb4 N4\n1.0\n3.614783 -0.000000 0.000000\n0.000000 6.337174 0.000000\n-0.000000 -0.000000 11.042748\nZn Pb N\n2 4 4\ndirect\n0.749999 0.342638 0.750000 Zn\n0.250000 0.657361 0.250000 Zn\n0.749999 0.737735 0.969171 Pb\n0.749999 0.737735 0.530829 Pb\n0.250000 0.262265 0.030829 Pb\n0.250000 0.262265 0.469171 Pb\n0.749999 0.374965 0.585468 N\n0.749999 0.374965 0.914532 N\n0.250000 0.625034 0.414532 N\n0.250000 0.625034 0.085468 N\n",
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},
{
"id": "jvasp-107375",
"created_at": "2022-09-04T14:36:59.492982Z",
"updated_at": "2022-09-04T14:36:59.493001Z",
"structure_string": "Zn1 Pb2 N2\n1.0\n3.185324 0.000486 -1.791286\n-2.096085 2.992815 -0.000000\n-0.030444 -0.021322 11.131981\nZn Pb N\n1 2 2\ndirect\n0.000001 0.000000 0.500000 Zn\n0.698157 0.349080 0.182569 Pb\n0.301842 0.650921 0.817431 Pb\n0.401201 0.200601 0.700437 N\n0.598798 0.799400 0.299562 N\n",
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{
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"structure_string": "Zn1 Pb1 F6\n1.0\n4.631688 0.055820 3.281453\n1.726679 4.298166 3.281453\n0.081518 0.055820 5.675722\nZn Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Pb\n0.400791 0.088301 0.756977 F\n0.088301 0.756978 0.400789 F\n0.243023 0.599211 0.911698 F\n0.911700 0.243023 0.599209 F\n0.599210 0.911700 0.243021 F\n0.756978 0.400790 0.088300 F\n",
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"formula_full": "Zn1 Pb1 F6",
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"spacegroup": 148
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]
}