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{
"id": "mp-1087495",
"created_at": "2022-09-04T14:39:28.649022Z",
"structure_string": "Tc6 B2\n1.0\n1.458448 -4.638546 0.000000\n1.458448 4.638546 0.000000\n0.000000 0.000000 7.261352\nTc B\n6 2\ndirect\n0.864922 0.135078 0.437554 Tc\n0.135078 0.864922 0.562446 Tc\n0.864922 0.135078 0.062446 Tc\n0.135078 0.864922 0.937554 Tc\n0.575522 0.424478 0.250000 Tc\n0.424478 0.575522 0.750000 Tc\n0.256100 0.743900 0.250000 B\n0.743900 0.256100 0.750000 B\n",
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{
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{
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"formula_full": "Er1 B2 Ru3",
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"energy": -48.64005295999999,
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{
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"created_at": "2022-09-04T14:44:09.432790Z",
"structure_string": "B4 Pd10\n1.0\n2.506220 6.486236 0.000000\n-2.506220 6.486236 0.000000\n0.000000 0.682363 5.489478\nB Pd\n4 10\ndirect\n0.184007 0.587350 0.578456 B\n0.412650 0.815993 0.921544 B\n0.815993 0.412650 0.421544 B\n0.587350 0.184007 0.078456 B\n0.186995 0.004924 0.580529 Pd\n0.995076 0.813005 0.919471 Pd\n0.217161 0.358430 0.314863 Pd\n0.641570 0.782839 0.185137 Pd\n0.782839 0.641570 0.685137 Pd\n0.358430 0.217161 0.814863 Pd\n0.004924 0.186995 0.080529 Pd\n0.813005 0.995076 0.419471 Pd\n0.568670 0.431330 0.750000 Pd\n0.431330 0.568670 0.250000 Pd\n",
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{
"id": "mp-1186329",
"created_at": "2022-09-04T14:40:39.541717Z",
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{
"id": "mp-1225992",
"created_at": "2022-09-04T14:42:17.255282Z",
"structure_string": "Co1 Tc1\n1.0\n1.329147 -2.302150 0.000000\n1.329147 2.302150 0.000000\n0.000000 0.000000 4.132649\nCo Tc\n1 1\ndirect\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.500000 Tc\n",
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"volume": 25.290950355341536,
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"formula_full": "Co1 Tc1",
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"spacegroup": 187
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{
"id": "mp-28523",
"created_at": "2022-09-04T14:41:53.138567Z",
"structure_string": "Li4 Ta6 N10\n1.0\n2.113054 4.933099 0.000000\n-2.113054 4.933099 0.000000\n0.000000 0.161447 9.689852\nLi Ta N\n4 6 10\ndirect\n0.646695 0.646695 0.451646 Li\n0.456285 0.456285 0.847033 Li\n0.543715 0.543715 0.152967 Li\n0.353305 0.353305 0.548354 Li\n0.054901 0.054901 0.643735 Ta\n0.945099 0.945099 0.356265 Ta\n0.762580 0.762580 0.744109 Ta\n0.237420 0.237420 0.255891 Ta\n0.143249 0.143249 0.952508 Ta\n0.856751 0.856751 0.047492 Ta\n0.567457 0.567457 0.655971 N\n0.432543 0.432543 0.344029 N\n0.860827 0.860827 0.553336 N\n0.046355 0.046355 0.152793 N\n0.953645 0.953645 0.847207 N\n0.139173 0.139173 0.446664 N\n0.346068 0.346068 0.049457 N\n0.653932 0.653932 0.950543 N\n0.749458 0.749458 0.250505 N\n0.250542 0.250542 0.749495 N\n",
"nsites": 20,
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"elements": [
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{
"id": "mp-1210958",
"created_at": "2022-09-04T14:41:23.474087Z",
"structure_string": "Mn7 Pd9\n1.0\n-3.763453 3.763453 3.818340\n3.763453 -3.763453 3.818340\n3.763453 3.763453 -3.818340\nMn Pd\n7 9\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.255680 0.255680 0.511361 Mn\n0.744320 0.744320 0.488639 Mn\n0.255680 0.744320 0.000000 Mn\n0.744320 0.255680 0.000000 Mn\n0.509466 0.256522 0.252943 Pd\n0.490534 0.743478 0.747057 Pd\n0.003579 0.256522 0.747057 Pd\n0.256522 0.003579 0.747057 Pd\n0.996421 0.743478 0.252943 Pd\n0.743478 0.996421 0.252943 Pd\n0.256522 0.509466 0.252943 Pd\n0.743478 0.490534 0.747057 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Mn7 Pd9",
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{
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"structure_string": "Tb2 Ag2 Pb2\n1.0\n2.418385 -4.188765 0.000000\n2.418385 4.188765 0.000000\n0.000000 0.000000 7.540555\nTb Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.003397 Tb\n0.000000 0.000000 0.503397 Tb\n0.666667 0.333333 0.318288 Ag\n0.333333 0.666667 0.818288 Ag\n0.333333 0.666667 0.223515 Pb\n0.666667 0.333333 0.723515 Pb\n",
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{
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"structure_string": "Ga1 Ni1 Rh2\n1.0\n0.000000 2.997428 2.997428\n2.997428 0.000000 2.997428\n2.997428 2.997428 0.000000\nGa Ni Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "Re1 Sn2 Se1\n1.0\n0.000000 3.434016 3.434016\n3.434016 0.000000 3.434016\n3.434016 3.434016 0.000000\nRe Sn Se\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Se\n",
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{
"id": "mp-1179501",
"created_at": "2022-09-04T14:42:06.445553Z",
"structure_string": "Sm3 Pd3 Pb3\n1.0\n8.233484 -0.004555 0.000000\n-4.120687 7.128129 0.000000\n0.000000 0.000000 3.823102\nSm Pd Pb\n3 3 3\ndirect\n0.331969 0.331969 0.500000 Sm\n0.668103 0.999593 0.500000 Sm\n0.999593 0.668103 0.500000 Sm\n0.666698 0.333388 0.000000 Pd\n0.333388 0.666698 0.000000 Pd\n0.000211 0.000211 0.000000 Pd\n0.666484 0.666484 0.000000 Pb\n0.333769 0.999886 0.000000 Pb\n0.999886 0.333769 0.000000 Pb\n",
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]
}