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{
"id": "jvasp-10220",
"created_at": "2022-09-04T14:38:11.666525Z",
"updated_at": "2022-09-04T14:38:11.666554Z",
"structure_string": "Zn1 Pt3 O6\n1.0\n3.207494 0.000000 0.000000\n0.000000 5.837157 -1.988615\n0.000000 -0.005666 6.166600\nZn Pt O\n1 3 6\ndirect\n0.000000 0.500000 0.500000 Zn\n0.499999 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.499999 -0.000000 0.500000 Pt\n0.000000 0.917499 0.661955 O\n0.000000 0.082501 0.338046 O\n0.000000 0.661954 0.917499 O\n0.000000 0.338046 0.082502 O\n0.499999 0.350836 0.649164 O\n0.499999 0.649164 0.350836 O\n",
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{
"id": "jvasp-18785",
"created_at": "2022-09-04T14:35:48.859116Z",
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"elements": [
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{
"id": "jvasp-2748",
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"structure_string": "Zn1 Pt1 F6\n1.0\n4.439987 0.014124 3.182475\n1.642092 4.125192 3.182475\n0.020753 0.014124 5.462709\nZn Pt F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Zn\n0.000000 0.000000 0.000000 Pt\n0.402634 0.085939 0.757974 F\n0.085940 0.757973 0.402634 F\n0.242026 0.597365 0.914060 F\n0.914060 0.242025 0.597366 F\n0.597366 0.914058 0.242025 F\n0.757975 0.402633 0.085939 F\n",
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"density": 6.247814413607055,
"density_atomic": 0.08037785584094244,
"volume": 99.52990057150794,
"volume_molar": 7.492288388380317,
"formula_full": "Zn1 Pt1 F6",
"formula_reduced": "ZnPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
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{
"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,
"nelements": 3,
"elements": [
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"Se"
],
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"density": 9.977108717756577,
"density_atomic": 0.06217356178604158,
"volume": 112.58804866430462,
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"formula_full": "Zn1 Pd5 Se1",
"formula_reduced": "ZnPd5Se",
"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 10.691852329728137,
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"volume": 59.742491994013264,
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"formula_full": "Zn1 Pd3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"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",
"nsites": 4,
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"elements": [
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"formula_full": "Zn1 Pd3",
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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",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Zn1 Pd2 Au1",
"formula_reduced": "ZnPd2Au",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-7790",
"created_at": "2022-09-04T14:37:05.527379Z",
"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",
"nsites": 8,
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"density": 4.855477538117987,
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"volume": 97.74822514336776,
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"formula_full": "Zn1 Pd1 F6",
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"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-102299",
"created_at": "2022-09-04T14:36:41.220799Z",
"updated_at": "2022-09-04T14:36:41.220819Z",
"structure_string": "Zn1 Pb3\n1.0\n4.723963 -0.000000 2.727381\n1.574654 4.453795 2.727381\n-0.000000 -0.000000 5.454762\nZn Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pb\n0.749999 0.749999 0.750000 Pb\n0.499999 0.499999 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"volume": 114.76580760124226,
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"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-39557",
"created_at": "2022-09-04T14:37:38.977977Z",
"updated_at": "2022-09-04T14:37:38.978001Z",
"structure_string": "Zn1 Pb3\n1.0\n-2.425437 2.425437 4.841557\n2.425437 -2.425437 4.841557\n2.425437 2.425437 -4.841557\nZn Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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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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},
{
"id": "jvasp-3240",
"created_at": "2022-09-04T14:37:05.585609Z",
"updated_at": "2022-09-04T14:37:05.585642Z",
"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_anonymous": "ABC6",
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}
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