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{
"id": "jvasp-35446",
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"updated_at": "2022-09-04T14:37:55.334408Z",
"structure_string": "Pu2 W2 C3\n1.0\n0.000000 3.289951 0.000000\n-0.193470 0.000000 5.684308\n5.575675 -1.644976 -2.174520\nPu W C\n2 2 3\ndirect\n0.394981 0.192523 0.789965 Pu\n0.605017 0.807477 0.210036 Pu\n0.155979 0.327438 0.311960 W\n0.844019 0.672562 0.688041 W\n0.251111 0.744684 0.502223 C\n0.748888 0.255317 0.497778 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Pu2 W2 C3\n1.0\n0.000000 3.278175 -0.000000\n0.226670 -0.000000 5.674024\n5.497563 -1.639088 -1.759898\nPu W C\n2 2 3\ndirect\n0.609456 0.833832 0.218913 Pu\n0.390542 0.166166 0.781086 Pu\n0.848050 0.622567 0.696103 W\n0.151947 0.377432 0.303896 W\n0.000000 0.500000 0.000000 C\n0.262854 0.747262 0.525709 C\n0.737144 0.252737 0.474290 C\n",
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{
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"created_at": "2022-09-04T14:38:46.811726Z",
"updated_at": "2022-09-04T14:38:46.811753Z",
"structure_string": "Pu1 U1 Sn6\n1.0\n4.630144 0.000000 0.000000\n0.000000 4.630144 0.000000\n0.000000 -0.000000 9.221014\nPu U Sn\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.247880 Sn\n0.500000 0.000000 0.752120 Sn\n-0.000000 0.500000 0.247880 Sn\n-0.000000 0.500000 0.752120 Sn\n",
"nsites": 8,
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"density_atomic": 0.040468984769852785,
"volume": 197.68225087671507,
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"formula_full": "Pu1 U1 Sn6",
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"spacegroup": 123
},
{
"id": "jvasp-110181",
"created_at": "2022-09-04T14:38:20.469490Z",
"updated_at": "2022-09-04T14:38:20.469512Z",
"structure_string": "Pu1 U1 N2\n1.0\n3.451760 0.000000 0.000000\n0.000000 3.451760 0.000000\n0.000000 -0.000000 4.882355\nPu U N\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pu\n0.500000 0.500000 -0.000000 U\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
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"elements": [
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"density": 14.559443114698169,
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"volume": 58.17153683020285,
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"formula_full": "Pu1 U1 N2",
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"spacegroup": 123
},
{
"id": "jvasp-102693",
"created_at": "2022-09-04T14:36:38.467402Z",
"updated_at": "2022-09-04T14:36:38.467432Z",
"structure_string": "Pu1 U4 N5\n1.0\n3.434970 -0.000000 0.000000\n-1.717485 12.142897 -1.717485\n-0.000000 -0.000000 3.434970\nPu U N\n1 4 5\ndirect\n0.100000 0.200000 0.100000 Pu\n0.698692 0.397383 0.698692 U\n0.299693 0.599384 0.299693 U\n0.900309 0.800616 0.900309 U\n0.501308 0.002617 0.501308 U\n0.400383 0.800764 0.400383 N\n0.199450 0.398899 0.199450 N\n0.799619 0.599236 0.799619 N\n0.000551 0.001101 0.000551 N\n0.600000 0.200000 0.600000 N\n",
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"elements": [
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"density": 14.67458248635322,
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"volume": 143.2742712146819,
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"formula_full": "Pu1 U4 N5",
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"formula_anonymous": "AB4C5",
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"spacegroup": 139
},
{
"id": "jvasp-104934",
"created_at": "2022-09-04T14:36:55.843829Z",
"updated_at": "2022-09-04T14:36:55.843851Z",
"structure_string": "Pu1 U1 N2\n1.0\n3.464916 0.000000 0.000000\n-1.732458 2.827359 1.005124\n-0.000000 -0.001084 5.975270\nPu U N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.000001 0.500000 U\n0.245509 0.491018 0.263473 N\n0.754492 0.508983 0.736526 N\n",
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"elements": [
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"formula_full": "Pu1 U1 N2",
"formula_reduced": "PuUN2",
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"spacegroup": 166
},
{
"id": "jvasp-103630",
"created_at": "2022-09-04T14:36:46.160475Z",
"updated_at": "2022-09-04T14:36:46.160499Z",
"structure_string": "Pu1 Ti1 O3\n1.0\n3.912871 -0.000000 0.000000\n0.000000 3.912871 0.000000\n-0.000000 0.000000 3.912871\nPu Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"elements": [
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"density": 9.420396980641335,
"density_atomic": 0.08346096724834745,
"volume": 59.90824411514355,
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"formula_full": "Pu1 Ti1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-100628",
"created_at": "2022-09-04T14:37:03.587073Z",
"updated_at": "2022-09-04T14:37:03.587101Z",
"structure_string": "Pu2 Te1 O2\n1.0\n3.803185 0.008086 -5.720071\n-0.340396 3.787930 -5.720071\n-0.007376 -0.008086 6.869015\nPu Te O\n2 1 2\ndirect\n0.343912 0.343913 -0.000000 Pu\n0.656086 0.656088 -0.000000 Pu\n0.000000 0.000000 0.000000 Te\n0.749998 0.250000 0.499999 O\n0.249998 0.750000 0.499999 O\n",
"nsites": 5,
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"elements": [
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"formula_full": "Pu2 Te1 O2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 4.053132953333334,
"spacegroup": 139
},
{
"id": "jvasp-107743",
"created_at": "2022-09-04T14:35:56.613873Z",
"updated_at": "2022-09-04T14:35:56.613892Z",
"structure_string": "Pu1 Ta1 C2\n1.0\n3.154529 0.003145 5.028203\n1.449064 2.802013 5.028203\n0.005161 0.003145 5.935810\nPu Ta C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.499998 0.500001 Ta\n0.240738 0.240736 0.240738 C\n0.759263 0.759259 0.759264 C\n",
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"formula_full": "Pu1 Ta1 C2",
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"spacegroup": 166
},
{
"id": "jvasp-59618",
"created_at": "2022-09-04T14:37:10.628981Z",
"updated_at": "2022-09-04T14:37:10.629002Z",
"structure_string": "Pu4 Sn2 Pt4\n1.0\n7.715726 0.000000 -0.000000\n-0.000000 7.715726 -0.000000\n0.000000 0.000000 3.790227\nPu Sn Pt\n4 2 4\ndirect\n0.327169 0.827169 0.500000 Pu\n0.827169 0.672831 0.500000 Pu\n0.172831 0.327169 0.500000 Pu\n0.672831 0.172831 0.500000 Pu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.130061 0.630061 0.000000 Pt\n0.630061 0.869939 0.000000 Pt\n0.869939 0.369939 0.000000 Pt\n0.369939 0.130061 0.000000 Pt\n",
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"formula_full": "Pu4 Sn2 Pt4",
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},
{
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"created_at": "2022-09-04T14:36:19.397460Z",
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"structure_string": "Pu4 Sn2 Pd4\n1.0\n3.908820 0.000000 0.000000\n0.000000 7.599977 -0.000000\n0.000000 -0.000000 7.599977\nPu Sn Pd\n4 2 4\ndirect\n0.500000 0.175216 0.675217 Pu\n0.500000 0.324784 0.175216 Pu\n0.500000 0.824784 0.324784 Pu\n0.500000 0.675217 0.824784 Pu\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.371788 0.871788 Pd\n0.000000 0.128212 0.371788 Pd\n0.000000 0.871788 0.628212 Pd\n0.000000 0.628212 0.128212 Pd\n",
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"formula_full": "Pu4 Sn2 Pd4",
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},
{
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"created_at": "2022-09-04T14:37:02.095708Z",
"updated_at": "2022-09-04T14:37:02.095733Z",
"structure_string": "Pu2 Sn1 Hg1\n1.0\n4.611369 -0.000000 2.662375\n1.537123 4.347640 2.662375\n0.000000 0.000000 5.324750\nPu Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.749999 Pu\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.499999 Hg\n",
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}